USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 332 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 731 GLN : amide:sc= -9.8! C(o=-9.8!,f=-14!) USER MOD Single : A 735 LYS NZ :NH3+ -156:sc= 1.32 (180deg=1.12) USER MOD Single : A 737 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.39) USER MOD Single : A 743 GLN : amide:sc= -1.58! K(o=-1.6!,f=-0.59) USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 748 LYS NZ :NH3+ -150:sc= -0.427 (180deg=-1.87!) USER MOD Single : A 750 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 751 THR OG1 : rot -46:sc= 0.567 USER MOD Single : A 760 THR OG1 : rot 77:sc= 1.04 USER MOD Single : A 761 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 762 TYR OH : rot 180:sc= 0 USER MOD Single : A 764 GLN : amide:sc= -1.22 X(o=-1.2,f=-1) USER MOD Single : A 768 GLN : amide:sc= -5.46! C(o=-5.5!,f=-4.6!) USER MOD Single : A 771 THR OG1 : rot 180:sc= -0.0726 USER MOD Single : A 773 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 87 N ARG A 730 7.963 -8.167 4.487 1.00 0.00 N ATOM 88 CA ARG A 730 7.551 -8.107 3.092 1.00 0.00 C ATOM 89 C ARG A 730 6.356 -7.216 2.864 1.00 0.00 C ATOM 90 O ARG A 730 6.291 -6.477 1.880 1.00 0.00 O ATOM 91 CB ARG A 730 7.410 -9.473 2.409 1.00 0.00 C ATOM 92 CG ARG A 730 7.049 -10.656 3.292 1.00 0.00 C ATOM 93 CD ARG A 730 6.994 -11.939 2.462 1.00 0.00 C ATOM 94 NE ARG A 730 6.806 -13.155 3.274 1.00 0.00 N ATOM 95 CZ ARG A 730 6.716 -14.402 2.784 1.00 0.00 C ATOM 96 NH1 ARG A 730 6.740 -14.622 1.474 1.00 0.00 N ATOM 97 NH2 ARG A 730 6.590 -15.420 3.612 1.00 0.00 N ATOM 0 HA ARG A 730 8.391 -7.631 2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 730 6.650 -9.386 1.633 1.00 0.00 H new ATOM 0 HB3 ARG A 730 8.352 -9.700 1.909 1.00 0.00 H new ATOM 0 HG2 ARG A 730 7.785 -10.762 4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 730 6.085 -10.482 3.769 1.00 0.00 H new ATOM 0 HD2 ARG A 730 6.179 -11.862 1.742 1.00 0.00 H new ATOM 0 HD3 ARG A 730 7.917 -12.032 1.890 1.00 0.00 H new ATOM 0 HE ARG A 730 6.739 -13.040 4.285 1.00 0.00 H new ATOM 0 HH11 ARG A 730 6.828 -13.839 0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 730 6.671 -15.574 1.115 1.00 0.00 H new ATOM 0 HH21 ARG A 730 6.561 -15.258 4.619 1.00 0.00 H new ATOM 0 HH22 ARG A 730 6.521 -16.370 3.246 1.00 0.00 H new ATOM 111 N GLN A 731 5.434 -7.275 3.769 1.00 0.00 N ATOM 112 CA GLN A 731 4.278 -6.432 3.735 1.00 0.00 C ATOM 113 C GLN A 731 4.643 -5.115 4.335 1.00 0.00 C ATOM 114 O GLN A 731 4.463 -4.068 3.735 1.00 0.00 O ATOM 115 CB GLN A 731 3.169 -7.097 4.540 1.00 0.00 C ATOM 116 CG GLN A 731 1.990 -6.212 4.928 1.00 0.00 C ATOM 117 CD GLN A 731 1.313 -5.523 3.769 1.00 0.00 C ATOM 118 OE1 GLN A 731 0.781 -4.464 3.923 1.00 0.00 O ATOM 119 NE2 GLN A 731 1.241 -6.156 2.635 1.00 0.00 N ATOM 0 H GLN A 731 5.460 -7.916 4.562 1.00 0.00 H new ATOM 0 HA GLN A 731 3.931 -6.279 2.713 1.00 0.00 H new ATOM 0 HB2 GLN A 731 2.788 -7.941 3.965 1.00 0.00 H new ATOM 0 HB3 GLN A 731 3.606 -7.504 5.452 1.00 0.00 H new ATOM 0 HG2 GLN A 731 1.253 -6.820 5.452 1.00 0.00 H new ATOM 0 HG3 GLN A 731 2.337 -5.455 5.631 1.00 0.00 H new ATOM 0 HE21 GLN A 731 1.702 -7.059 2.525 1.00 0.00 H new ATOM 0 HE22 GLN A 731 0.723 -5.749 1.856 1.00 0.00 H new ATOM 128 N GLY A 732 5.248 -5.211 5.491 1.00 0.00 N ATOM 129 CA GLY A 732 5.615 -4.050 6.255 1.00 0.00 C ATOM 130 C GLY A 732 6.558 -3.121 5.527 1.00 0.00 C ATOM 131 O GLY A 732 6.568 -1.912 5.766 1.00 0.00 O ATOM 0 H GLY A 732 5.500 -6.098 5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 732 4.712 -3.501 6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 732 6.081 -4.371 7.187 1.00 0.00 H new ATOM 135 N GLY A 733 7.327 -3.662 4.631 1.00 0.00 N ATOM 136 CA GLY A 733 8.279 -2.867 3.945 1.00 0.00 C ATOM 137 C GLY A 733 8.210 -3.049 2.478 1.00 0.00 C ATOM 138 O GLY A 733 9.125 -3.601 1.873 1.00 0.00 O ATOM 0 H GLY A 733 7.309 -4.646 4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 733 8.114 -1.817 4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 733 9.280 -3.121 4.294 1.00 0.00 H new ATOM 142 N GLY A 734 7.147 -2.627 1.884 1.00 0.00 N ATOM 143 CA GLY A 734 7.076 -2.735 0.477 1.00 0.00 C ATOM 144 C GLY A 734 5.774 -2.307 -0.080 1.00 0.00 C ATOM 145 O GLY A 734 5.698 -1.309 -0.801 1.00 0.00 O ATOM 0 H GLY A 734 6.335 -2.214 2.342 1.00 0.00 H new ATOM 0 HA2 GLY A 734 7.868 -2.132 0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 734 7.263 -3.770 0.189 1.00 0.00 H new ATOM 149 N LYS A 735 4.739 -3.024 0.265 1.00 0.00 N ATOM 150 CA LYS A 735 3.450 -2.771 -0.311 1.00 0.00 C ATOM 151 C LYS A 735 2.379 -3.171 0.661 1.00 0.00 C ATOM 152 O LYS A 735 2.648 -3.954 1.536 1.00 0.00 O ATOM 153 CB LYS A 735 3.279 -3.540 -1.646 1.00 0.00 C ATOM 154 CG LYS A 735 2.906 -5.053 -1.566 1.00 0.00 C ATOM 155 CD LYS A 735 3.923 -5.934 -0.807 1.00 0.00 C ATOM 156 CE LYS A 735 5.255 -6.064 -1.543 1.00 0.00 C ATOM 157 NZ LYS A 735 6.199 -6.958 -0.833 1.00 0.00 N ATOM 0 H LYS A 735 4.765 -3.787 0.942 1.00 0.00 H new ATOM 0 HA LYS A 735 3.365 -1.705 -0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 735 2.509 -3.035 -2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 735 4.210 -3.453 -2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 735 1.934 -5.148 -1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 735 2.797 -5.440 -2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 735 4.099 -5.510 0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 735 3.497 -6.926 -0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 735 5.078 -6.449 -2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 735 5.705 -5.077 -1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 7.174 -6.718 -1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 6.085 -6.838 0.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 6.001 -7.946 -1.090 1.00 0.00 H new ATOM 171 N LEU A 736 1.167 -2.667 0.492 1.00 0.00 N ATOM 172 CA LEU A 736 0.078 -3.023 1.418 1.00 0.00 C ATOM 173 C LEU A 736 -1.087 -3.544 0.626 1.00 0.00 C ATOM 174 O LEU A 736 -1.550 -2.900 -0.321 1.00 0.00 O ATOM 175 CB LEU A 736 -0.414 -1.835 2.240 1.00 0.00 C ATOM 176 CG LEU A 736 0.628 -0.860 2.805 1.00 0.00 C ATOM 177 CD1 LEU A 736 -0.066 0.360 3.357 1.00 0.00 C ATOM 178 CD2 LEU A 736 1.454 -1.510 3.896 1.00 0.00 C ATOM 0 H LEU A 736 0.905 -2.024 -0.256 1.00 0.00 H new ATOM 0 HA LEU A 736 0.477 -3.771 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -1.102 -1.263 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -0.992 -2.226 3.077 1.00 0.00 H new ATOM 0 HG LEU A 736 1.298 -0.572 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 736 0.676 1.051 3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -0.627 0.851 2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -0.750 0.061 4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 736 2.183 -0.794 4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 736 0.799 -1.827 4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 736 1.975 -2.377 3.490 1.00 0.00 H new ATOM 190 N ASN A 737 -1.596 -4.671 1.001 1.00 0.00 N ATOM 191 CA ASN A 737 -2.711 -5.289 0.250 1.00 0.00 C ATOM 192 C ASN A 737 -3.691 -5.762 1.254 1.00 0.00 C ATOM 193 O ASN A 737 -3.323 -5.970 2.184 1.00 0.00 O ATOM 194 CB ASN A 737 -2.282 -6.495 -0.667 1.00 0.00 C ATOM 195 CG ASN A 737 -1.038 -6.334 -1.568 1.00 0.00 C ATOM 196 OD1 ASN A 737 -0.395 -7.310 -1.907 1.00 0.00 O ATOM 197 ND2 ASN A 737 -0.676 -5.155 -1.923 1.00 0.00 N ATOM 0 H ASN A 737 -1.281 -5.203 1.813 1.00 0.00 H new ATOM 0 HA ASN A 737 -3.120 -4.539 -0.427 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -2.114 -7.357 -0.022 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -3.127 -6.738 -1.311 1.00 0.00 H new ATOM 0 HD21 ASN A 737 0.159 -5.028 -2.495 1.00 0.00 H new ATOM 0 HD22 ASN A 737 -1.223 -4.344 -1.633 1.00 0.00 H new ATOM 204 N PHE A 738 -4.954 -5.802 1.036 1.00 0.00 N ATOM 205 CA PHE A 738 -5.902 -6.335 2.055 1.00 0.00 C ATOM 206 C PHE A 738 -5.388 -7.663 2.648 1.00 0.00 C ATOM 207 O PHE A 738 -4.994 -7.692 3.809 1.00 0.00 O ATOM 208 CB PHE A 738 -7.257 -6.521 1.413 1.00 0.00 C ATOM 209 CG PHE A 738 -8.291 -7.106 2.312 1.00 0.00 C ATOM 210 CD1 PHE A 738 -8.673 -6.446 3.444 1.00 0.00 C ATOM 211 CD2 PHE A 738 -8.864 -8.312 2.028 1.00 0.00 C ATOM 212 CE1 PHE A 738 -9.606 -6.973 4.289 1.00 0.00 C ATOM 213 CE2 PHE A 738 -9.804 -8.853 2.870 1.00 0.00 C ATOM 214 CZ PHE A 738 -10.173 -8.181 4.004 1.00 0.00 C ATOM 0 H PHE A 738 -5.395 -5.482 0.174 1.00 0.00 H new ATOM 0 HA PHE A 738 -5.984 -5.624 2.877 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -7.611 -5.555 1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -7.146 -7.164 0.540 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -8.229 -5.489 3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -8.576 -8.845 1.134 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -9.895 -6.436 5.180 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -10.252 -9.808 2.638 1.00 0.00 H new ATOM 0 HZ PHE A 738 -10.910 -8.605 4.670 1.00 0.00 H new ATOM 224 N ASP A 739 -5.283 -8.693 1.826 1.00 0.00 N ATOM 225 CA ASP A 739 -4.784 -10.014 2.265 1.00 0.00 C ATOM 226 C ASP A 739 -3.313 -9.977 2.656 1.00 0.00 C ATOM 227 O ASP A 739 -2.867 -10.758 3.489 1.00 0.00 O ATOM 228 CB ASP A 739 -4.978 -11.078 1.188 1.00 0.00 C ATOM 229 CG ASP A 739 -6.369 -11.645 1.128 1.00 0.00 C ATOM 230 OD1 ASP A 739 -7.227 -11.079 0.446 1.00 0.00 O ATOM 231 OD2 ASP A 739 -6.627 -12.691 1.749 1.00 0.00 O ATOM 0 H ASP A 739 -5.536 -8.653 0.839 1.00 0.00 H new ATOM 0 HA ASP A 739 -5.375 -10.274 3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -4.731 -10.647 0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -4.273 -11.891 1.364 1.00 0.00 H new ATOM 236 N GLU A 740 -2.562 -9.078 2.071 1.00 0.00 N ATOM 237 CA GLU A 740 -1.141 -8.989 2.373 1.00 0.00 C ATOM 238 C GLU A 740 -0.918 -8.084 3.580 1.00 0.00 C ATOM 239 O GLU A 740 -0.074 -8.357 4.407 1.00 0.00 O ATOM 240 CB GLU A 740 -0.369 -8.480 1.166 1.00 0.00 C ATOM 241 CG GLU A 740 1.040 -8.983 1.035 1.00 0.00 C ATOM 242 CD GLU A 740 1.068 -10.397 0.534 1.00 0.00 C ATOM 243 OE1 GLU A 740 1.020 -10.590 -0.686 1.00 0.00 O ATOM 244 OE2 GLU A 740 1.136 -11.340 1.336 1.00 0.00 O ATOM 0 H GLU A 740 -2.899 -8.400 1.388 1.00 0.00 H new ATOM 0 HA GLU A 740 -0.771 -9.985 2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -0.918 -8.753 0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -0.344 -7.391 1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 740 1.596 -8.341 0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 740 1.540 -8.927 2.002 1.00 0.00 H new ATOM 251 N LEU A 741 -1.702 -7.017 3.683 1.00 0.00 N ATOM 252 CA LEU A 741 -1.645 -6.046 4.787 1.00 0.00 C ATOM 253 C LEU A 741 -1.845 -6.748 6.073 1.00 0.00 C ATOM 254 O LEU A 741 -1.375 -6.322 7.093 1.00 0.00 O ATOM 255 CB LEU A 741 -2.736 -4.986 4.670 1.00 0.00 C ATOM 256 CG LEU A 741 -2.844 -4.044 5.836 1.00 0.00 C ATOM 257 CD1 LEU A 741 -1.950 -2.830 5.683 1.00 0.00 C ATOM 258 CD2 LEU A 741 -4.246 -3.685 6.068 1.00 0.00 C ATOM 0 H LEU A 741 -2.414 -6.791 2.989 1.00 0.00 H new ATOM 0 HA LEU A 741 -0.669 -5.563 4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -2.557 -4.402 3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -3.695 -5.488 4.540 1.00 0.00 H new ATOM 0 HG LEU A 741 -2.480 -4.562 6.723 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -2.065 -2.181 6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -0.911 -3.151 5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -2.230 -2.283 4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -4.311 -3.002 6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -4.649 -3.200 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -4.821 -4.586 6.283 1.00 0.00 H new ATOM 270 N ARG A 742 -2.575 -7.857 6.009 1.00 0.00 N ATOM 271 CA ARG A 742 -2.808 -8.678 7.154 1.00 0.00 C ATOM 272 C ARG A 742 -1.503 -9.100 7.680 1.00 0.00 C ATOM 273 O ARG A 742 -1.363 -9.118 8.745 1.00 0.00 O ATOM 274 CB ARG A 742 -3.587 -9.940 6.866 1.00 0.00 C ATOM 275 CG ARG A 742 -4.644 -9.862 5.826 1.00 0.00 C ATOM 276 CD ARG A 742 -5.872 -9.104 6.241 1.00 0.00 C ATOM 277 NE ARG A 742 -7.038 -9.607 5.512 1.00 0.00 N ATOM 278 CZ ARG A 742 -7.582 -10.847 5.627 1.00 0.00 C ATOM 279 NH1 ARG A 742 -7.069 -11.766 6.470 1.00 0.00 N ATOM 280 NH2 ARG A 742 -8.597 -11.173 4.863 1.00 0.00 N ATOM 0 H ARG A 742 -3.014 -8.197 5.154 1.00 0.00 H new ATOM 0 HA ARG A 742 -3.395 -8.078 7.849 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -2.879 -10.714 6.571 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -4.051 -10.270 7.795 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -4.226 -9.392 4.936 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -4.935 -10.874 5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -6.030 -9.210 7.314 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -5.738 -8.041 6.042 1.00 0.00 H new ATOM 0 HE ARG A 742 -7.484 -8.966 4.856 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -6.254 -11.537 7.040 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -7.496 -12.690 6.538 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -8.968 -10.499 4.193 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -9.015 -12.100 4.939 1.00 0.00 H new ATOM 294 N GLN A 743 -0.522 -9.353 6.859 1.00 0.00 N ATOM 295 CA GLN A 743 0.809 -9.771 7.329 1.00 0.00 C ATOM 296 C GLN A 743 1.302 -8.786 8.375 1.00 0.00 C ATOM 297 O GLN A 743 1.944 -9.151 9.357 1.00 0.00 O ATOM 298 CB GLN A 743 1.770 -9.818 6.179 1.00 0.00 C ATOM 299 CG GLN A 743 2.648 -11.069 6.110 1.00 0.00 C ATOM 300 CD GLN A 743 2.910 -11.473 4.691 1.00 0.00 C ATOM 301 OE1 GLN A 743 3.955 -12.012 4.354 1.00 0.00 O ATOM 302 NE2 GLN A 743 1.929 -11.271 3.870 1.00 0.00 N ATOM 0 H GLN A 743 -0.602 -9.281 5.845 1.00 0.00 H new ATOM 0 HA GLN A 743 0.741 -10.766 7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.204 -9.740 5.251 1.00 0.00 H new ATOM 0 HB3 GLN A 743 2.417 -8.943 6.232 1.00 0.00 H new ATOM 0 HG2 GLN A 743 3.594 -10.880 6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 743 2.160 -11.888 6.639 1.00 0.00 H new ATOM 0 HE21 GLN A 743 1.076 -10.817 4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 743 2.009 -11.566 2.897 1.00 0.00 H new ATOM 311 N ASP A 744 0.880 -7.557 8.189 1.00 0.00 N ATOM 312 CA ASP A 744 1.184 -6.506 9.123 1.00 0.00 C ATOM 313 C ASP A 744 0.254 -6.585 10.334 1.00 0.00 C ATOM 314 O ASP A 744 0.690 -6.616 11.488 1.00 0.00 O ATOM 315 CB ASP A 744 1.073 -5.133 8.503 1.00 0.00 C ATOM 316 CG ASP A 744 2.216 -4.221 9.003 1.00 0.00 C ATOM 317 OD1 ASP A 744 3.426 -4.618 8.887 1.00 0.00 O ATOM 318 OD2 ASP A 744 1.924 -3.140 9.599 1.00 0.00 O ATOM 0 H ASP A 744 0.320 -7.262 7.390 1.00 0.00 H new ATOM 0 HA ASP A 744 2.219 -6.653 9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 744 1.112 -5.213 7.417 1.00 0.00 H new ATOM 0 HB3 ASP A 744 0.109 -4.690 8.755 1.00 0.00 H new ATOM 323 N LEU A 745 -1.030 -6.648 10.056 1.00 0.00 N ATOM 324 CA LEU A 745 -2.072 -6.663 11.069 1.00 0.00 C ATOM 325 C LEU A 745 -2.884 -7.972 11.128 1.00 0.00 C ATOM 326 O LEU A 745 -4.109 -7.950 11.253 1.00 0.00 O ATOM 327 CB LEU A 745 -2.950 -5.419 10.913 1.00 0.00 C ATOM 328 CG LEU A 745 -3.258 -4.940 9.494 1.00 0.00 C ATOM 329 CD1 LEU A 745 -4.257 -5.842 8.818 1.00 0.00 C ATOM 330 CD2 LEU A 745 -3.735 -3.506 9.546 1.00 0.00 C ATOM 0 H LEU A 745 -1.390 -6.691 9.102 1.00 0.00 H new ATOM 0 HA LEU A 745 -1.582 -6.630 12.042 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -3.898 -5.613 11.415 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -2.468 -4.600 11.447 1.00 0.00 H new ATOM 0 HG LEU A 745 -2.349 -4.982 8.894 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -4.455 -5.475 7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -3.855 -6.854 8.763 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -5.185 -5.851 9.390 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -3.956 -3.159 8.537 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -4.636 -3.444 10.156 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -2.957 -2.879 9.983 1.00 0.00 H new ATOM 342 N LYS A 746 -2.188 -9.101 11.046 1.00 0.00 N ATOM 343 CA LYS A 746 -2.815 -10.423 11.069 1.00 0.00 C ATOM 344 C LYS A 746 -3.634 -10.632 12.346 1.00 0.00 C ATOM 345 O LYS A 746 -3.127 -10.415 13.456 1.00 0.00 O ATOM 346 CB LYS A 746 -1.787 -11.591 10.892 1.00 0.00 C ATOM 347 CG LYS A 746 -1.221 -11.803 9.487 1.00 0.00 C ATOM 348 CD LYS A 746 -0.876 -13.255 9.261 1.00 0.00 C ATOM 349 CE LYS A 746 -0.536 -13.530 7.814 1.00 0.00 C ATOM 350 NZ LYS A 746 -0.329 -14.969 7.578 1.00 0.00 N ATOM 0 H LYS A 746 -1.172 -9.128 10.962 1.00 0.00 H new ATOM 0 HA LYS A 746 -3.485 -10.449 10.210 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -0.953 -11.416 11.572 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -2.267 -12.517 11.209 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -1.949 -11.478 8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -0.331 -11.188 9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -0.031 -13.531 9.892 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -1.717 -13.880 9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -1.340 -13.166 7.174 1.00 0.00 H new ATOM 0 HE3 LYS A 746 0.364 -12.981 7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -0.097 -15.127 6.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 0.454 -15.309 8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -1.197 -15.489 7.818 1.00 0.00 H new ATOM 364 N GLY A 747 -4.880 -11.040 12.185 1.00 0.00 N ATOM 365 CA GLY A 747 -5.765 -11.240 13.320 1.00 0.00 C ATOM 366 C GLY A 747 -6.374 -9.913 13.781 1.00 0.00 C ATOM 367 O GLY A 747 -5.723 -9.158 14.498 1.00 0.00 O ATOM 0 H GLY A 747 -5.303 -11.240 11.279 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -6.560 -11.934 13.048 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -5.212 -11.695 14.141 1.00 0.00 H new ATOM 371 N LYS A 748 -7.617 -9.617 13.390 1.00 0.00 N ATOM 372 CA LYS A 748 -8.208 -8.288 13.714 1.00 0.00 C ATOM 373 C LYS A 748 -9.705 -8.217 13.435 1.00 0.00 C ATOM 374 O LYS A 748 -10.416 -7.441 14.068 1.00 0.00 O ATOM 375 CB LYS A 748 -7.510 -7.118 12.944 1.00 0.00 C ATOM 376 CG LYS A 748 -7.829 -7.043 11.445 1.00 0.00 C ATOM 377 CD LYS A 748 -7.305 -8.268 10.724 1.00 0.00 C ATOM 378 CE LYS A 748 -8.198 -8.636 9.601 1.00 0.00 C ATOM 379 NZ LYS A 748 -7.828 -9.912 8.977 1.00 0.00 N ATOM 0 H LYS A 748 -8.226 -10.246 12.866 1.00 0.00 H new ATOM 0 HA LYS A 748 -8.041 -8.171 14.785 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -7.798 -6.175 13.409 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -6.431 -7.216 13.066 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -8.907 -6.963 11.301 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -7.383 -6.145 11.018 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -6.301 -8.073 10.348 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -7.228 -9.102 11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -9.224 -8.698 9.964 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -8.173 -7.848 8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -8.091 -9.896 7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -6.802 -10.057 9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -8.329 -10.689 9.453 1.00 0.00 H new ATOM 393 N GLY A 749 -10.166 -8.991 12.486 1.00 0.00 N ATOM 394 CA GLY A 749 -11.537 -8.904 12.085 1.00 0.00 C ATOM 395 C GLY A 749 -12.196 -10.262 12.026 1.00 0.00 C ATOM 396 O GLY A 749 -11.505 -11.279 12.106 1.00 0.00 O ATOM 0 H GLY A 749 -9.612 -9.683 11.982 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -12.080 -8.268 12.784 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -11.599 -8.428 11.106 1.00 0.00 H new ATOM 400 N HIS A 750 -13.500 -10.288 11.848 1.00 0.00 N ATOM 401 CA HIS A 750 -14.231 -11.549 11.761 1.00 0.00 C ATOM 402 C HIS A 750 -14.198 -12.086 10.348 1.00 0.00 C ATOM 403 O HIS A 750 -13.441 -13.008 10.046 1.00 0.00 O ATOM 404 CB HIS A 750 -15.682 -11.434 12.257 1.00 0.00 C ATOM 405 CG HIS A 750 -15.833 -11.274 13.735 1.00 0.00 C ATOM 406 ND1 HIS A 750 -16.077 -12.336 14.582 1.00 0.00 N ATOM 407 CD2 HIS A 750 -15.803 -10.176 14.521 1.00 0.00 C ATOM 408 CE1 HIS A 750 -16.185 -11.884 15.818 1.00 0.00 C ATOM 409 NE2 HIS A 750 -16.022 -10.589 15.799 1.00 0.00 N ATOM 0 H HIS A 750 -14.081 -9.455 11.760 1.00 0.00 H new ATOM 0 HA HIS A 750 -13.725 -12.250 12.425 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -16.152 -10.583 11.765 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -16.228 -12.324 11.945 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -15.636 -9.160 14.196 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -16.376 -12.484 16.696 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -16.054 -9.980 16.617 1.00 0.00 H new ATOM 417 N THR A 751 -14.981 -11.504 9.468 1.00 0.00 N ATOM 418 CA THR A 751 -14.967 -11.938 8.103 1.00 0.00 C ATOM 419 C THR A 751 -14.247 -10.963 7.226 1.00 0.00 C ATOM 420 O THR A 751 -14.279 -9.751 7.474 1.00 0.00 O ATOM 421 CB THR A 751 -16.374 -12.238 7.551 1.00 0.00 C ATOM 422 OG1 THR A 751 -17.371 -11.310 8.032 1.00 0.00 O ATOM 423 CG2 THR A 751 -16.766 -13.664 7.825 1.00 0.00 C ATOM 0 H THR A 751 -15.625 -10.740 9.675 1.00 0.00 H new ATOM 0 HA THR A 751 -14.419 -12.880 8.092 1.00 0.00 H new ATOM 0 HB THR A 751 -16.327 -12.101 6.471 1.00 0.00 H new ATOM 0 HG1 THR A 751 -17.269 -11.193 9.000 1.00 0.00 H new ATOM 0 HG21 THR A 751 -17.763 -13.850 7.426 1.00 0.00 H new ATOM 0 HG22 THR A 751 -16.052 -14.336 7.348 1.00 0.00 H new ATOM 0 HG23 THR A 751 -16.767 -13.841 8.901 1.00 0.00 H new ATOM 431 N ASP A 752 -13.601 -11.492 6.204 1.00 0.00 N ATOM 432 CA ASP A 752 -12.832 -10.713 5.238 1.00 0.00 C ATOM 433 C ASP A 752 -13.703 -9.633 4.623 1.00 0.00 C ATOM 434 O ASP A 752 -13.255 -8.532 4.418 1.00 0.00 O ATOM 435 CB ASP A 752 -12.294 -11.626 4.126 1.00 0.00 C ATOM 436 CG ASP A 752 -11.459 -12.794 4.600 1.00 0.00 C ATOM 437 OD1 ASP A 752 -10.696 -12.668 5.595 1.00 0.00 O ATOM 438 OD2 ASP A 752 -11.579 -13.879 3.994 1.00 0.00 O ATOM 0 H ASP A 752 -13.593 -12.494 6.014 1.00 0.00 H new ATOM 0 HA ASP A 752 -11.995 -10.249 5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -13.138 -12.012 3.554 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -11.694 -11.025 3.443 1.00 0.00 H new ATOM 443 N ALA A 753 -14.979 -9.947 4.427 1.00 0.00 N ATOM 444 CA ALA A 753 -15.951 -9.035 3.835 1.00 0.00 C ATOM 445 C ALA A 753 -16.141 -7.798 4.671 1.00 0.00 C ATOM 446 O ALA A 753 -16.208 -6.704 4.146 1.00 0.00 O ATOM 447 CB ALA A 753 -17.270 -9.730 3.587 1.00 0.00 C ATOM 0 H ALA A 753 -15.372 -10.854 4.678 1.00 0.00 H new ATOM 0 HA ALA A 753 -15.550 -8.717 2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -17.975 -9.026 3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -17.118 -10.567 2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -17.670 -10.099 4.531 1.00 0.00 H new ATOM 453 N GLU A 754 -16.231 -7.989 5.957 1.00 0.00 N ATOM 454 CA GLU A 754 -16.393 -6.919 6.909 1.00 0.00 C ATOM 455 C GLU A 754 -15.201 -5.998 6.919 1.00 0.00 C ATOM 456 O GLU A 754 -15.355 -4.790 6.924 1.00 0.00 O ATOM 457 CB GLU A 754 -16.555 -7.503 8.298 1.00 0.00 C ATOM 458 CG GLU A 754 -17.893 -8.082 8.633 1.00 0.00 C ATOM 459 CD GLU A 754 -17.886 -8.654 10.011 1.00 0.00 C ATOM 460 OE1 GLU A 754 -17.346 -9.778 10.204 1.00 0.00 O ATOM 461 OE2 GLU A 754 -18.396 -7.989 10.945 1.00 0.00 O ATOM 0 H GLU A 754 -16.193 -8.914 6.386 1.00 0.00 H new ATOM 0 HA GLU A 754 -17.275 -6.348 6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -15.805 -8.283 8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -16.332 -6.721 9.024 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -18.659 -7.310 8.557 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -18.151 -8.858 7.912 1.00 0.00 H new ATOM 468 N ILE A 755 -14.037 -6.577 6.886 1.00 0.00 N ATOM 469 CA ILE A 755 -12.793 -5.843 6.967 1.00 0.00 C ATOM 470 C ILE A 755 -12.486 -5.166 5.629 1.00 0.00 C ATOM 471 O ILE A 755 -12.010 -4.034 5.581 1.00 0.00 O ATOM 472 CB ILE A 755 -11.670 -6.801 7.307 1.00 0.00 C ATOM 473 CG1 ILE A 755 -12.064 -7.638 8.515 1.00 0.00 C ATOM 474 CG2 ILE A 755 -10.414 -6.001 7.628 1.00 0.00 C ATOM 475 CD1 ILE A 755 -11.347 -8.950 8.565 1.00 0.00 C ATOM 0 H ILE A 755 -13.915 -7.586 6.801 1.00 0.00 H new ATOM 0 HA ILE A 755 -12.883 -5.079 7.740 1.00 0.00 H new ATOM 0 HB ILE A 755 -11.479 -7.460 6.460 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -11.852 -7.077 9.425 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -13.139 -7.816 8.494 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -9.601 -6.684 7.874 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -10.134 -5.400 6.763 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -10.607 -5.346 8.477 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -11.666 -9.506 9.447 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -11.579 -9.526 7.669 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -10.272 -8.776 8.616 1.00 0.00 H new ATOM 487 N GLU A 756 -12.799 -5.851 4.565 1.00 0.00 N ATOM 488 CA GLU A 756 -12.564 -5.376 3.218 1.00 0.00 C ATOM 489 C GLU A 756 -13.387 -4.104 2.949 1.00 0.00 C ATOM 490 O GLU A 756 -12.932 -3.193 2.322 1.00 0.00 O ATOM 491 CB GLU A 756 -12.883 -6.467 2.216 1.00 0.00 C ATOM 492 CG GLU A 756 -12.411 -6.236 0.792 1.00 0.00 C ATOM 493 CD GLU A 756 -12.893 -7.337 -0.100 1.00 0.00 C ATOM 494 OE1 GLU A 756 -14.080 -7.306 -0.498 1.00 0.00 O ATOM 495 OE2 GLU A 756 -12.126 -8.272 -0.387 1.00 0.00 O ATOM 0 H GLU A 756 -13.233 -6.773 4.604 1.00 0.00 H new ATOM 0 HA GLU A 756 -11.510 -5.119 3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -12.444 -7.398 2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -13.964 -6.609 2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -12.781 -5.277 0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -11.322 -6.188 0.766 1.00 0.00 H new ATOM 502 N ALA A 757 -14.623 -4.121 3.343 1.00 0.00 N ATOM 503 CA ALA A 757 -15.500 -2.961 3.206 1.00 0.00 C ATOM 504 C ALA A 757 -15.108 -1.824 4.173 1.00 0.00 C ATOM 505 O ALA A 757 -14.918 -0.663 3.741 1.00 0.00 O ATOM 506 CB ALA A 757 -16.936 -3.376 3.452 1.00 0.00 C ATOM 0 H ALA A 757 -15.069 -4.932 3.771 1.00 0.00 H new ATOM 0 HA ALA A 757 -15.392 -2.580 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -17.588 -2.509 3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -17.225 -4.135 2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -17.030 -3.783 4.459 1.00 0.00 H new ATOM 512 N ILE A 758 -14.929 -2.170 5.458 1.00 0.00 N ATOM 513 CA ILE A 758 -14.676 -1.189 6.528 1.00 0.00 C ATOM 514 C ILE A 758 -13.477 -0.325 6.188 1.00 0.00 C ATOM 515 O ILE A 758 -13.528 0.900 6.307 1.00 0.00 O ATOM 516 CB ILE A 758 -14.517 -1.877 7.961 1.00 0.00 C ATOM 517 CG1 ILE A 758 -14.501 -0.867 9.137 1.00 0.00 C ATOM 518 CG2 ILE A 758 -13.285 -2.743 8.042 1.00 0.00 C ATOM 519 CD1 ILE A 758 -13.168 -0.192 9.408 1.00 0.00 C ATOM 0 H ILE A 758 -14.955 -3.136 5.785 1.00 0.00 H new ATOM 0 HA ILE A 758 -15.554 -0.546 6.593 1.00 0.00 H new ATOM 0 HB ILE A 758 -15.407 -2.498 8.065 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -15.244 -0.095 8.939 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -14.815 -1.387 10.042 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -13.219 -3.190 9.034 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -13.345 -3.532 7.292 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -12.400 -2.134 7.858 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -13.271 0.493 10.250 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -12.419 -0.948 9.645 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -12.855 0.364 8.524 1.00 0.00 H new ATOM 531 N PHE A 759 -12.413 -0.959 5.709 1.00 0.00 N ATOM 532 CA PHE A 759 -11.205 -0.243 5.416 1.00 0.00 C ATOM 533 C PHE A 759 -11.414 0.720 4.238 1.00 0.00 C ATOM 534 O PHE A 759 -10.880 1.770 4.209 1.00 0.00 O ATOM 535 CB PHE A 759 -10.016 -1.229 5.134 1.00 0.00 C ATOM 536 CG PHE A 759 -9.873 -1.777 3.689 1.00 0.00 C ATOM 537 CD1 PHE A 759 -9.529 -0.943 2.618 1.00 0.00 C ATOM 538 CD2 PHE A 759 -10.074 -3.104 3.418 1.00 0.00 C ATOM 539 CE1 PHE A 759 -9.417 -1.433 1.346 1.00 0.00 C ATOM 540 CE2 PHE A 759 -9.950 -3.597 2.126 1.00 0.00 C ATOM 541 CZ PHE A 759 -9.630 -2.762 1.099 1.00 0.00 C ATOM 0 H PHE A 759 -12.374 -1.961 5.521 1.00 0.00 H new ATOM 0 HA PHE A 759 -10.944 0.348 6.294 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -9.088 -0.721 5.396 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -10.116 -2.079 5.809 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -9.349 0.106 2.800 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -10.333 -3.778 4.222 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -9.160 -0.769 0.534 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -10.108 -4.648 1.935 1.00 0.00 H new ATOM 0 HZ PHE A 759 -9.545 -3.147 0.094 1.00 0.00 H new ATOM 551 N THR A 760 -12.247 0.371 3.335 1.00 0.00 N ATOM 552 CA THR A 760 -12.430 1.149 2.131 1.00 0.00 C ATOM 553 C THR A 760 -12.882 2.570 2.500 1.00 0.00 C ATOM 554 O THR A 760 -12.477 3.553 1.890 1.00 0.00 O ATOM 555 CB THR A 760 -13.441 0.434 1.209 1.00 0.00 C ATOM 556 OG1 THR A 760 -12.962 -0.898 0.913 1.00 0.00 O ATOM 557 CG2 THR A 760 -13.625 1.155 -0.088 1.00 0.00 C ATOM 0 H THR A 760 -12.833 -0.462 3.392 1.00 0.00 H new ATOM 0 HA THR A 760 -11.490 1.236 1.587 1.00 0.00 H new ATOM 0 HB THR A 760 -14.396 0.407 1.734 1.00 0.00 H new ATOM 0 HG1 THR A 760 -13.123 -1.482 1.683 1.00 0.00 H new ATOM 0 HG21 THR A 760 -14.344 0.616 -0.705 1.00 0.00 H new ATOM 0 HG22 THR A 760 -13.994 2.162 0.105 1.00 0.00 H new ATOM 0 HG23 THR A 760 -12.670 1.213 -0.611 1.00 0.00 H new ATOM 565 N LYS A 761 -13.687 2.646 3.525 1.00 0.00 N ATOM 566 CA LYS A 761 -14.186 3.918 4.005 1.00 0.00 C ATOM 567 C LYS A 761 -13.317 4.480 5.163 1.00 0.00 C ATOM 568 O LYS A 761 -12.995 5.665 5.181 1.00 0.00 O ATOM 569 CB LYS A 761 -15.618 3.736 4.434 1.00 0.00 C ATOM 570 CG LYS A 761 -16.577 4.894 4.196 1.00 0.00 C ATOM 571 CD LYS A 761 -16.761 5.187 2.714 1.00 0.00 C ATOM 572 CE LYS A 761 -17.796 6.277 2.504 1.00 0.00 C ATOM 573 NZ LYS A 761 -17.940 6.658 1.084 1.00 0.00 N ATOM 0 H LYS A 761 -14.017 1.837 4.052 1.00 0.00 H new ATOM 0 HA LYS A 761 -14.132 4.651 3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 761 -16.014 2.860 3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 761 -15.623 3.509 5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -17.544 4.661 4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -16.200 5.785 4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -15.810 5.494 2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -17.071 4.280 2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 761 -18.759 5.937 2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 761 -17.516 7.155 3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -18.658 7.405 0.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -17.029 7.009 0.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 -18.234 5.828 0.530 1.00 0.00 H new ATOM 587 N TYR A 762 -12.953 3.627 6.117 1.00 0.00 N ATOM 588 CA TYR A 762 -12.205 4.073 7.318 1.00 0.00 C ATOM 589 C TYR A 762 -10.674 3.944 7.243 1.00 0.00 C ATOM 590 O TYR A 762 -9.969 4.611 8.009 1.00 0.00 O ATOM 591 CB TYR A 762 -12.699 3.343 8.545 1.00 0.00 C ATOM 592 CG TYR A 762 -14.067 3.757 9.040 1.00 0.00 C ATOM 593 CD1 TYR A 762 -14.221 4.911 9.771 1.00 0.00 C ATOM 594 CD2 TYR A 762 -15.188 2.973 8.813 1.00 0.00 C ATOM 595 CE1 TYR A 762 -15.449 5.280 10.269 1.00 0.00 C ATOM 596 CE2 TYR A 762 -16.427 3.338 9.310 1.00 0.00 C ATOM 597 CZ TYR A 762 -16.543 4.487 10.035 1.00 0.00 C ATOM 598 OH TYR A 762 -17.765 4.848 10.534 1.00 0.00 O ATOM 0 H TYR A 762 -13.156 2.628 6.095 1.00 0.00 H new ATOM 0 HA TYR A 762 -12.407 5.143 7.375 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -12.718 2.275 8.328 1.00 0.00 H new ATOM 0 HB3 TYR A 762 -11.980 3.492 9.350 1.00 0.00 H new ATOM 0 HD1 TYR A 762 -13.362 5.539 9.958 1.00 0.00 H new ATOM 0 HD2 TYR A 762 -15.093 2.063 8.239 1.00 0.00 H new ATOM 0 HE1 TYR A 762 -15.551 6.190 10.842 1.00 0.00 H new ATOM 0 HE2 TYR A 762 -17.293 2.719 9.126 1.00 0.00 H new ATOM 0 HH TYR A 762 -18.434 4.179 10.277 1.00 0.00 H new ATOM 608 N ASP A 763 -10.156 3.091 6.384 1.00 0.00 N ATOM 609 CA ASP A 763 -8.691 2.895 6.263 1.00 0.00 C ATOM 610 C ASP A 763 -7.995 4.147 5.804 1.00 0.00 C ATOM 611 O ASP A 763 -8.600 4.999 5.134 1.00 0.00 O ATOM 612 CB ASP A 763 -8.335 1.782 5.289 1.00 0.00 C ATOM 613 CG ASP A 763 -6.851 1.498 5.263 1.00 0.00 C ATOM 614 OD1 ASP A 763 -6.292 1.074 6.287 1.00 0.00 O ATOM 615 OD2 ASP A 763 -6.213 1.786 4.230 1.00 0.00 O ATOM 0 H ASP A 763 -10.711 2.514 5.752 1.00 0.00 H new ATOM 0 HA ASP A 763 -8.354 2.625 7.264 1.00 0.00 H new ATOM 0 HB2 ASP A 763 -8.872 0.875 5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 763 -8.668 2.057 4.288 1.00 0.00 H new ATOM 620 N GLN A 764 -6.731 4.254 6.157 1.00 0.00 N ATOM 621 CA GLN A 764 -5.906 5.364 5.795 1.00 0.00 C ATOM 622 C GLN A 764 -5.886 5.576 4.298 1.00 0.00 C ATOM 623 O GLN A 764 -6.031 6.704 3.836 1.00 0.00 O ATOM 624 CB GLN A 764 -4.471 5.224 6.330 1.00 0.00 C ATOM 625 CG GLN A 764 -4.307 5.288 7.857 1.00 0.00 C ATOM 626 CD GLN A 764 -4.926 4.119 8.614 1.00 0.00 C ATOM 627 OE1 GLN A 764 -4.284 3.086 8.817 1.00 0.00 O ATOM 628 NE2 GLN A 764 -6.145 4.275 9.058 1.00 0.00 N ATOM 0 H GLN A 764 -6.248 3.551 6.716 1.00 0.00 H new ATOM 0 HA GLN A 764 -6.351 6.241 6.264 1.00 0.00 H new ATOM 0 HB2 GLN A 764 -4.067 4.274 5.981 1.00 0.00 H new ATOM 0 HB3 GLN A 764 -3.862 6.012 5.887 1.00 0.00 H new ATOM 0 HG2 GLN A 764 -3.244 5.334 8.093 1.00 0.00 H new ATOM 0 HG3 GLN A 764 -4.754 6.214 8.218 1.00 0.00 H new ATOM 0 HE21 GLN A 764 -6.648 5.143 8.872 1.00 0.00 H new ATOM 0 HE22 GLN A 764 -6.593 3.529 9.590 1.00 0.00 H new ATOM 637 N ASP A 765 -5.721 4.519 3.529 1.00 0.00 N ATOM 638 CA ASP A 765 -5.687 4.724 2.099 1.00 0.00 C ATOM 639 C ASP A 765 -6.922 4.204 1.398 1.00 0.00 C ATOM 640 O ASP A 765 -7.155 4.537 0.241 1.00 0.00 O ATOM 641 CB ASP A 765 -4.452 4.070 1.541 1.00 0.00 C ATOM 642 CG ASP A 765 -4.011 4.699 0.260 1.00 0.00 C ATOM 643 OD1 ASP A 765 -3.589 5.881 0.284 1.00 0.00 O ATOM 644 OD2 ASP A 765 -4.086 4.061 -0.791 1.00 0.00 O ATOM 0 H ASP A 765 -5.613 3.557 3.849 1.00 0.00 H new ATOM 0 HA ASP A 765 -5.664 5.799 1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 765 -3.646 4.135 2.272 1.00 0.00 H new ATOM 0 HB3 ASP A 765 -4.647 3.010 1.375 1.00 0.00 H new ATOM 649 N GLY A 766 -7.761 3.449 2.118 1.00 0.00 N ATOM 650 CA GLY A 766 -9.004 2.911 1.534 1.00 0.00 C ATOM 651 C GLY A 766 -8.780 2.030 0.312 1.00 0.00 C ATOM 652 O GLY A 766 -9.729 1.670 -0.380 1.00 0.00 O ATOM 0 H GLY A 766 -7.608 3.197 3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -9.531 2.334 2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -9.653 3.742 1.257 1.00 0.00 H new ATOM 656 N ASP A 767 -7.534 1.680 0.051 1.00 0.00 N ATOM 657 CA ASP A 767 -7.198 0.889 -1.109 1.00 0.00 C ATOM 658 C ASP A 767 -6.916 -0.514 -0.722 1.00 0.00 C ATOM 659 O ASP A 767 -7.609 -1.419 -1.174 1.00 0.00 O ATOM 660 CB ASP A 767 -6.040 1.480 -1.893 1.00 0.00 C ATOM 661 CG ASP A 767 -6.486 1.923 -3.265 1.00 0.00 C ATOM 662 OD1 ASP A 767 -6.807 1.080 -4.102 1.00 0.00 O ATOM 663 OD2 ASP A 767 -6.573 3.133 -3.521 1.00 0.00 O ATOM 0 H ASP A 767 -6.736 1.935 0.633 1.00 0.00 H new ATOM 0 HA ASP A 767 -8.065 0.900 -1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -5.624 2.329 -1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -5.244 0.741 -1.986 1.00 0.00 H new ATOM 668 N GLN A 768 -5.893 -0.676 0.144 1.00 0.00 N ATOM 669 CA GLN A 768 -5.498 -1.953 0.756 1.00 0.00 C ATOM 670 C GLN A 768 -5.590 -3.132 -0.224 1.00 0.00 C ATOM 671 O GLN A 768 -6.569 -3.873 -0.215 1.00 0.00 O ATOM 672 CB GLN A 768 -6.363 -2.178 1.992 1.00 0.00 C ATOM 673 CG GLN A 768 -5.661 -2.655 3.191 1.00 0.00 C ATOM 674 CD GLN A 768 -6.585 -2.616 4.387 1.00 0.00 C ATOM 675 OE1 GLN A 768 -6.674 -1.617 5.063 1.00 0.00 O ATOM 676 NE2 GLN A 768 -7.223 -3.711 4.696 1.00 0.00 N ATOM 0 H GLN A 768 -5.306 0.103 0.442 1.00 0.00 H new ATOM 0 HA GLN A 768 -4.448 -1.898 1.042 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -6.863 -1.241 2.237 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -7.141 -2.898 1.740 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -5.304 -3.672 3.031 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -4.785 -2.035 3.379 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -7.130 -4.539 4.108 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -7.815 -3.739 5.526 1.00 0.00 H new ATOM 685 N GLU A 769 -4.536 -3.299 -1.036 1.00 0.00 N ATOM 686 CA GLU A 769 -4.412 -4.349 -2.109 1.00 0.00 C ATOM 687 C GLU A 769 -3.390 -3.891 -3.187 1.00 0.00 C ATOM 688 O GLU A 769 -3.338 -4.460 -4.262 1.00 0.00 O ATOM 689 CB GLU A 769 -5.746 -4.715 -2.856 1.00 0.00 C ATOM 690 CG GLU A 769 -6.355 -3.614 -3.744 1.00 0.00 C ATOM 691 CD GLU A 769 -7.293 -4.144 -4.776 1.00 0.00 C ATOM 692 OE1 GLU A 769 -8.297 -4.801 -4.423 1.00 0.00 O ATOM 693 OE2 GLU A 769 -7.066 -3.895 -5.969 1.00 0.00 O ATOM 0 H GLU A 769 -3.712 -2.700 -0.979 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.090 -5.242 -1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -5.561 -5.592 -3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -6.488 -5.003 -2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.884 -2.899 -3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -5.551 -3.069 -4.239 1.00 0.00 H new ATOM 700 N LEU A 770 -2.533 -2.922 -2.874 1.00 0.00 N ATOM 701 CA LEU A 770 -1.662 -2.333 -3.915 1.00 0.00 C ATOM 702 C LEU A 770 -0.210 -2.688 -3.708 1.00 0.00 C ATOM 703 O LEU A 770 0.322 -2.514 -2.605 1.00 0.00 O ATOM 704 CB LEU A 770 -1.817 -0.788 -4.012 1.00 0.00 C ATOM 705 CG LEU A 770 -2.923 -0.239 -4.910 1.00 0.00 C ATOM 706 CD1 LEU A 770 -4.254 -0.764 -4.500 1.00 0.00 C ATOM 707 CD2 LEU A 770 -2.919 1.282 -4.889 1.00 0.00 C ATOM 0 H LEU A 770 -2.416 -2.530 -1.940 1.00 0.00 H new ATOM 0 HA LEU A 770 -1.994 -2.769 -4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 770 -1.981 -0.404 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -0.869 -0.377 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 770 -2.729 -0.573 -5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 770 -5.023 -0.357 -5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 770 -4.254 -1.852 -4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 770 -4.461 -0.468 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 770 -3.713 1.657 -5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -3.084 1.632 -3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -1.957 1.648 -5.248 1.00 0.00 H new ATOM 719 N THR A 771 0.434 -3.211 -4.730 1.00 0.00 N ATOM 720 CA THR A 771 1.820 -3.576 -4.606 1.00 0.00 C ATOM 721 C THR A 771 2.726 -2.367 -4.878 1.00 0.00 C ATOM 722 O THR A 771 2.252 -1.323 -5.350 1.00 0.00 O ATOM 723 CB THR A 771 2.217 -4.735 -5.535 1.00 0.00 C ATOM 724 OG1 THR A 771 2.512 -4.256 -6.824 1.00 0.00 O ATOM 725 CG2 THR A 771 1.089 -5.723 -5.652 1.00 0.00 C ATOM 0 H THR A 771 0.021 -3.390 -5.645 1.00 0.00 H new ATOM 0 HA THR A 771 1.956 -3.916 -3.579 1.00 0.00 H new ATOM 0 HB THR A 771 3.096 -5.216 -5.106 1.00 0.00 H new ATOM 0 HG1 THR A 771 2.764 -5.006 -7.402 1.00 0.00 H new ATOM 0 HG21 THR A 771 1.386 -6.537 -6.313 1.00 0.00 H new ATOM 0 HG22 THR A 771 0.852 -6.124 -4.666 1.00 0.00 H new ATOM 0 HG23 THR A 771 0.210 -5.225 -6.062 1.00 0.00 H new ATOM 733 N GLU A 772 4.022 -2.508 -4.558 1.00 0.00 N ATOM 734 CA GLU A 772 5.016 -1.485 -4.788 1.00 0.00 C ATOM 735 C GLU A 772 5.044 -1.154 -6.263 1.00 0.00 C ATOM 736 O GLU A 772 5.123 -0.001 -6.639 1.00 0.00 O ATOM 737 CB GLU A 772 6.380 -1.970 -4.239 1.00 0.00 C ATOM 738 CG GLU A 772 7.447 -0.900 -4.034 1.00 0.00 C ATOM 739 CD GLU A 772 8.120 -0.439 -5.298 1.00 0.00 C ATOM 740 OE1 GLU A 772 8.961 -1.190 -5.841 1.00 0.00 O ATOM 741 OE2 GLU A 772 7.863 0.688 -5.737 1.00 0.00 O ATOM 0 H GLU A 772 4.399 -3.352 -4.127 1.00 0.00 H new ATOM 0 HA GLU A 772 4.773 -0.564 -4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 772 6.207 -2.467 -3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 772 6.776 -2.721 -4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 772 6.991 -0.039 -3.546 1.00 0.00 H new ATOM 0 HG3 GLU A 772 8.206 -1.287 -3.354 1.00 0.00 H new ATOM 748 N HIS A 773 4.861 -2.173 -7.098 1.00 0.00 N ATOM 749 CA HIS A 773 4.895 -1.944 -8.537 1.00 0.00 C ATOM 750 C HIS A 773 3.703 -1.138 -8.992 1.00 0.00 C ATOM 751 O HIS A 773 3.834 -0.266 -9.841 1.00 0.00 O ATOM 752 CB HIS A 773 5.045 -3.238 -9.341 1.00 0.00 C ATOM 753 CG HIS A 773 6.337 -3.916 -9.085 1.00 0.00 C ATOM 754 ND1 HIS A 773 6.444 -5.138 -8.467 1.00 0.00 N ATOM 755 CD2 HIS A 773 7.591 -3.527 -9.364 1.00 0.00 C ATOM 756 CE1 HIS A 773 7.723 -5.466 -8.382 1.00 0.00 C ATOM 757 NE2 HIS A 773 8.433 -4.507 -8.917 1.00 0.00 N ATOM 0 H HIS A 773 4.692 -3.138 -6.814 1.00 0.00 H new ATOM 0 HA HIS A 773 5.791 -1.357 -8.738 1.00 0.00 H new ATOM 0 HB2 HIS A 773 4.227 -3.914 -9.092 1.00 0.00 H new ATOM 0 HB3 HIS A 773 4.960 -3.014 -10.404 1.00 0.00 H new ATOM 0 HD2 HIS A 773 7.882 -2.608 -9.852 1.00 0.00 H new ATOM 0 HE1 HIS A 773 8.114 -6.373 -7.945 1.00 0.00 H new ATOM 0 HE2 HIS A 773 9.450 -4.492 -8.989 1.00 0.00 H new ATOM 765 N GLU A 774 2.557 -1.364 -8.376 1.00 0.00 N ATOM 766 CA GLU A 774 1.366 -0.606 -8.758 1.00 0.00 C ATOM 767 C GLU A 774 1.447 0.818 -8.214 1.00 0.00 C ATOM 768 O GLU A 774 1.160 1.771 -8.915 1.00 0.00 O ATOM 769 CB GLU A 774 0.090 -1.301 -8.302 1.00 0.00 C ATOM 770 CG GLU A 774 0.033 -2.748 -8.771 1.00 0.00 C ATOM 771 CD GLU A 774 -1.152 -3.488 -8.228 1.00 0.00 C ATOM 772 OE1 GLU A 774 -1.199 -3.729 -7.007 1.00 0.00 O ATOM 773 OE2 GLU A 774 -2.048 -3.872 -9.023 1.00 0.00 O ATOM 0 H GLU A 774 2.420 -2.045 -7.629 1.00 0.00 H new ATOM 0 HA GLU A 774 1.331 -0.556 -9.846 1.00 0.00 H new ATOM 0 HB2 GLU A 774 0.028 -1.269 -7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -0.775 -0.760 -8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 774 0.002 -2.771 -9.860 1.00 0.00 H new ATOM 0 HG3 GLU A 774 0.946 -3.260 -8.467 1.00 0.00 H new