USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 325 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 735 LYS NZ :NH3+ 163:sc= 1.08 (180deg=-0.49) USER MOD Set 1.2: A 771 THR OG1 : rot -170:sc= 0.532 USER MOD Single : A 731 GLN : amide:sc= -12.5! C(o=-12!,f=-8.5!) USER MOD Single : A 737 ASN : amide:sc= -12.9! C(o=-13!,f=-7.1!) USER MOD Single : A 743 GLN : amide:sc= -2.11! K(o=-2.1!,f=-0.96) USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 748 LYS NZ :NH3+ -113:sc= 0.454 (180deg=-1.74!) USER MOD Single : A 750 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 751 THR OG1 : rot 85:sc= 1.11 USER MOD Single : A 760 THR OG1 : rot 64:sc= 1.11 USER MOD Single : A 761 LYS NZ :NH3+ -177:sc= -0.0181 (180deg=-0.0287) USER MOD Single : A 762 TYR OH : rot 180:sc= 0 USER MOD Single : A 764 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 768 GLN : amide:sc= -4.09! K(o=-4.1!,f=-2) USER MOD ----------------------------------------------------------------- ATOM 68 N LEU A 729 -7.230 12.721 4.251 1.00 0.00 N ATOM 69 CA LEU A 729 -7.836 12.566 5.530 1.00 0.00 C ATOM 70 C LEU A 729 -6.929 11.638 6.341 1.00 0.00 C ATOM 71 O LEU A 729 -5.723 11.704 6.215 1.00 0.00 O ATOM 72 CB LEU A 729 -9.264 11.983 5.351 1.00 0.00 C ATOM 73 CG LEU A 729 -10.227 12.107 6.544 1.00 0.00 C ATOM 74 CD1 LEU A 729 -10.502 13.561 6.850 1.00 0.00 C ATOM 75 CD2 LEU A 729 -11.525 11.381 6.257 1.00 0.00 C ATOM 0 HA LEU A 729 -7.943 13.515 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 729 -9.724 12.473 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 729 -9.169 10.926 5.102 1.00 0.00 H new ATOM 0 HG LEU A 729 -9.756 11.648 7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 729 -11.185 13.632 7.697 1.00 0.00 H new ATOM 0 HD12 LEU A 729 -9.567 14.064 7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 729 -10.953 14.037 5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 729 -12.194 11.480 7.112 1.00 0.00 H new ATOM 0 HD22 LEU A 729 -11.997 11.814 5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 729 -11.320 10.326 6.077 1.00 0.00 H new ATOM 87 N ARG A 730 -7.509 10.700 7.042 1.00 0.00 N ATOM 88 CA ARG A 730 -6.776 9.700 7.770 1.00 0.00 C ATOM 89 C ARG A 730 -6.100 8.703 6.835 1.00 0.00 C ATOM 90 O ARG A 730 -5.002 8.234 7.088 1.00 0.00 O ATOM 91 CB ARG A 730 -7.707 8.976 8.738 1.00 0.00 C ATOM 92 CG ARG A 730 -9.107 8.652 8.206 1.00 0.00 C ATOM 93 CD ARG A 730 -9.800 7.626 9.093 1.00 0.00 C ATOM 94 NE ARG A 730 -9.768 7.987 10.512 1.00 0.00 N ATOM 95 CZ ARG A 730 -9.747 7.096 11.509 1.00 0.00 C ATOM 96 NH1 ARG A 730 -9.704 5.799 11.237 1.00 0.00 N ATOM 97 NH2 ARG A 730 -9.748 7.514 12.765 1.00 0.00 N ATOM 0 H ARG A 730 -8.522 10.608 7.124 1.00 0.00 H new ATOM 0 HA ARG A 730 -5.990 10.203 8.333 1.00 0.00 H new ATOM 0 HB2 ARG A 730 -7.230 8.044 9.041 1.00 0.00 H new ATOM 0 HB3 ARG A 730 -7.813 9.586 9.635 1.00 0.00 H new ATOM 0 HG2 ARG A 730 -9.704 9.563 8.162 1.00 0.00 H new ATOM 0 HG3 ARG A 730 -9.034 8.269 7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 730 -10.837 7.518 8.774 1.00 0.00 H new ATOM 0 HD3 ARG A 730 -9.322 6.655 8.959 1.00 0.00 H new ATOM 0 HE ARG A 730 -9.761 8.978 10.754 1.00 0.00 H new ATOM 0 HH11 ARG A 730 -9.687 5.481 10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 730 -9.688 5.119 11.997 1.00 0.00 H new ATOM 0 HH21 ARG A 730 -9.765 8.513 12.970 1.00 0.00 H new ATOM 0 HH22 ARG A 730 -9.732 6.837 13.528 1.00 0.00 H new ATOM 111 N GLN A 731 -6.800 8.371 5.784 1.00 0.00 N ATOM 112 CA GLN A 731 -6.337 7.440 4.788 1.00 0.00 C ATOM 113 C GLN A 731 -5.521 8.167 3.739 1.00 0.00 C ATOM 114 O GLN A 731 -4.428 7.755 3.377 1.00 0.00 O ATOM 115 CB GLN A 731 -7.548 6.699 4.178 1.00 0.00 C ATOM 116 CG GLN A 731 -7.228 5.723 3.048 1.00 0.00 C ATOM 117 CD GLN A 731 -6.160 4.718 3.396 1.00 0.00 C ATOM 118 OE1 GLN A 731 -5.395 4.301 2.543 1.00 0.00 O ATOM 119 NE2 GLN A 731 -6.182 4.239 4.604 1.00 0.00 N ATOM 0 H GLN A 731 -7.728 8.748 5.591 1.00 0.00 H new ATOM 0 HA GLN A 731 -5.685 6.695 5.243 1.00 0.00 H new ATOM 0 HB2 GLN A 731 -8.054 6.152 4.973 1.00 0.00 H new ATOM 0 HB3 GLN A 731 -8.253 7.441 3.803 1.00 0.00 H new ATOM 0 HG2 GLN A 731 -8.138 5.191 2.772 1.00 0.00 H new ATOM 0 HG3 GLN A 731 -6.910 6.288 2.172 1.00 0.00 H new ATOM 0 HE21 GLN A 731 -6.837 4.615 5.290 1.00 0.00 H new ATOM 0 HE22 GLN A 731 -5.544 3.487 4.866 1.00 0.00 H new ATOM 128 N GLY A 732 -6.082 9.256 3.250 1.00 0.00 N ATOM 129 CA GLY A 732 -5.430 10.042 2.220 1.00 0.00 C ATOM 130 C GLY A 732 -4.204 10.783 2.697 1.00 0.00 C ATOM 131 O GLY A 732 -3.419 11.246 1.887 1.00 0.00 O ATOM 0 H GLY A 732 -6.988 9.617 3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 732 -5.147 9.383 1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 732 -6.144 10.762 1.820 1.00 0.00 H new ATOM 135 N GLY A 733 -4.050 10.925 3.994 1.00 0.00 N ATOM 136 CA GLY A 733 -2.897 11.637 4.508 1.00 0.00 C ATOM 137 C GLY A 733 -2.570 11.220 5.905 1.00 0.00 C ATOM 138 O GLY A 733 -2.461 12.052 6.795 1.00 0.00 O ATOM 0 H GLY A 733 -4.692 10.567 4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 733 -2.038 11.453 3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 733 -3.091 12.709 4.484 1.00 0.00 H new ATOM 142 N GLY A 734 -2.463 9.931 6.119 1.00 0.00 N ATOM 143 CA GLY A 734 -2.184 9.441 7.443 1.00 0.00 C ATOM 144 C GLY A 734 -1.502 8.115 7.421 1.00 0.00 C ATOM 145 O GLY A 734 -0.283 8.046 7.492 1.00 0.00 O ATOM 0 H GLY A 734 -2.564 9.212 5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 734 -1.558 10.161 7.971 1.00 0.00 H new ATOM 0 HA3 GLY A 734 -3.116 9.359 8.002 1.00 0.00 H new ATOM 149 N LYS A 735 -2.279 7.065 7.262 1.00 0.00 N ATOM 150 CA LYS A 735 -1.760 5.712 7.189 1.00 0.00 C ATOM 151 C LYS A 735 -2.562 4.943 6.179 1.00 0.00 C ATOM 152 O LYS A 735 -3.704 5.324 5.904 1.00 0.00 O ATOM 153 CB LYS A 735 -1.730 5.008 8.583 1.00 0.00 C ATOM 154 CG LYS A 735 -3.063 4.781 9.333 1.00 0.00 C ATOM 155 CD LYS A 735 -3.783 6.089 9.688 1.00 0.00 C ATOM 156 CE LYS A 735 -4.995 5.847 10.569 1.00 0.00 C ATOM 157 NZ LYS A 735 -4.620 5.189 11.839 1.00 0.00 N ATOM 0 H LYS A 735 -3.294 7.124 7.179 1.00 0.00 H new ATOM 0 HA LYS A 735 -0.719 5.748 6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 735 -1.256 4.035 8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 735 -1.081 5.593 9.234 1.00 0.00 H new ATOM 0 HG2 LYS A 735 -3.720 4.167 8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 735 -2.868 4.221 10.247 1.00 0.00 H new ATOM 0 HD2 LYS A 735 -3.090 6.757 10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 735 -4.094 6.592 8.773 1.00 0.00 H new ATOM 0 HE2 LYS A 735 -5.487 6.796 10.781 1.00 0.00 H new ATOM 0 HE3 LYS A 735 -5.716 5.227 10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 -5.393 5.295 12.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 -4.445 4.178 11.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 -3.758 5.630 12.217 1.00 0.00 H new ATOM 171 N LEU A 736 -2.051 3.829 5.651 1.00 0.00 N ATOM 172 CA LEU A 736 -2.872 3.107 4.691 1.00 0.00 C ATOM 173 C LEU A 736 -3.008 1.714 5.126 1.00 0.00 C ATOM 174 O LEU A 736 -2.034 0.982 5.212 1.00 0.00 O ATOM 175 CB LEU A 736 -2.237 3.090 3.286 1.00 0.00 C ATOM 176 CG LEU A 736 -2.171 4.414 2.468 1.00 0.00 C ATOM 177 CD1 LEU A 736 -1.221 5.438 3.061 1.00 0.00 C ATOM 178 CD2 LEU A 736 -1.792 4.127 1.028 1.00 0.00 C ATOM 0 H LEU A 736 -1.135 3.431 5.856 1.00 0.00 H new ATOM 0 HA LEU A 736 -3.835 3.614 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -1.218 2.717 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -2.783 2.361 2.687 1.00 0.00 H new ATOM 0 HG LEU A 736 -3.169 4.850 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -1.222 6.336 2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -1.544 5.692 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -0.214 5.023 3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -1.750 5.062 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -0.816 3.643 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -2.537 3.470 0.580 1.00 0.00 H new ATOM 190 N ASN A 737 -4.210 1.264 5.246 1.00 0.00 N ATOM 191 CA ASN A 737 -4.428 -0.078 5.658 1.00 0.00 C ATOM 192 C ASN A 737 -5.662 -0.619 5.090 1.00 0.00 C ATOM 193 O ASN A 737 -6.576 -0.095 5.340 1.00 0.00 O ATOM 194 CB ASN A 737 -4.418 -0.275 7.228 1.00 0.00 C ATOM 195 CG ASN A 737 -4.879 0.836 8.101 1.00 0.00 C ATOM 196 OD1 ASN A 737 -5.550 0.613 9.095 1.00 0.00 O ATOM 197 ND2 ASN A 737 -4.418 1.985 7.833 1.00 0.00 N ATOM 0 H ASN A 737 -5.055 1.805 5.065 1.00 0.00 H new ATOM 0 HA ASN A 737 -3.578 -0.637 5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -5.033 -1.146 7.453 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -3.397 -0.521 7.521 1.00 0.00 H new ATOM 0 HD21 ASN A 737 -4.604 2.768 8.460 1.00 0.00 H new ATOM 0 HD22 ASN A 737 -3.861 2.127 6.990 1.00 0.00 H new ATOM 204 N PHE A 738 -5.610 -1.712 4.288 1.00 0.00 N ATOM 205 CA PHE A 738 -6.780 -2.307 3.546 1.00 0.00 C ATOM 206 C PHE A 738 -8.191 -1.890 4.033 1.00 0.00 C ATOM 207 O PHE A 738 -8.898 -1.230 3.296 1.00 0.00 O ATOM 208 CB PHE A 738 -6.673 -3.829 3.361 1.00 0.00 C ATOM 209 CG PHE A 738 -7.316 -4.266 2.065 1.00 0.00 C ATOM 210 CD1 PHE A 738 -8.678 -4.493 1.978 1.00 0.00 C ATOM 211 CD2 PHE A 738 -6.550 -4.390 0.910 1.00 0.00 C ATOM 212 CE1 PHE A 738 -9.256 -4.844 0.778 1.00 0.00 C ATOM 213 CE2 PHE A 738 -7.129 -4.728 -0.285 1.00 0.00 C ATOM 214 CZ PHE A 738 -8.477 -4.953 -0.353 1.00 0.00 C ATOM 0 H PHE A 738 -4.742 -2.224 4.127 1.00 0.00 H new ATOM 0 HA PHE A 738 -6.687 -1.840 2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -5.624 -4.127 3.369 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -7.154 -4.335 4.198 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -9.294 -4.394 2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -5.485 -4.218 0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -10.318 -5.033 0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -6.521 -4.817 -1.173 1.00 0.00 H new ATOM 0 HZ PHE A 738 -8.932 -5.217 -1.296 1.00 0.00 H new ATOM 224 N ASP A 739 -8.561 -2.214 5.287 1.00 0.00 N ATOM 225 CA ASP A 739 -9.886 -1.796 5.851 1.00 0.00 C ATOM 226 C ASP A 739 -10.005 -0.269 5.957 1.00 0.00 C ATOM 227 O ASP A 739 -11.063 0.314 5.726 1.00 0.00 O ATOM 228 CB ASP A 739 -10.125 -2.403 7.239 1.00 0.00 C ATOM 229 CG ASP A 739 -10.168 -3.882 7.239 1.00 0.00 C ATOM 230 OD1 ASP A 739 -11.211 -4.439 6.907 1.00 0.00 O ATOM 231 OD2 ASP A 739 -9.169 -4.499 7.609 1.00 0.00 O ATOM 0 H ASP A 739 -7.982 -2.754 5.930 1.00 0.00 H new ATOM 0 HA ASP A 739 -10.640 -2.167 5.157 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -9.335 -2.071 7.913 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -11.065 -2.020 7.637 1.00 0.00 H new ATOM 236 N GLU A 740 -8.905 0.352 6.265 1.00 0.00 N ATOM 237 CA GLU A 740 -8.778 1.806 6.325 1.00 0.00 C ATOM 238 C GLU A 740 -8.539 2.377 4.901 1.00 0.00 C ATOM 239 O GLU A 740 -8.988 3.466 4.583 1.00 0.00 O ATOM 240 CB GLU A 740 -7.690 2.174 7.364 1.00 0.00 C ATOM 241 CG GLU A 740 -7.289 3.644 7.557 1.00 0.00 C ATOM 242 CD GLU A 740 -8.411 4.555 7.867 1.00 0.00 C ATOM 243 OE1 GLU A 740 -8.991 4.427 8.955 1.00 0.00 O ATOM 244 OE2 GLU A 740 -8.716 5.398 7.035 1.00 0.00 O ATOM 0 H GLU A 740 -8.039 -0.138 6.490 1.00 0.00 H new ATOM 0 HA GLU A 740 -9.700 2.274 6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -8.023 1.797 8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -6.788 1.622 7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 740 -6.557 3.704 8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 740 -6.795 3.994 6.651 1.00 0.00 H new ATOM 251 N LEU A 741 -7.869 1.594 4.017 1.00 0.00 N ATOM 252 CA LEU A 741 -7.619 1.986 2.625 1.00 0.00 C ATOM 253 C LEU A 741 -8.916 2.296 1.909 1.00 0.00 C ATOM 254 O LEU A 741 -8.939 3.073 0.962 1.00 0.00 O ATOM 255 CB LEU A 741 -6.982 0.833 1.891 1.00 0.00 C ATOM 256 CG LEU A 741 -6.932 0.989 0.374 1.00 0.00 C ATOM 257 CD1 LEU A 741 -5.773 1.853 -0.085 1.00 0.00 C ATOM 258 CD2 LEU A 741 -6.996 -0.340 -0.332 1.00 0.00 C ATOM 0 H LEU A 741 -7.492 0.677 4.258 1.00 0.00 H new ATOM 0 HA LEU A 741 -6.976 2.866 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.966 0.701 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.529 -0.079 2.131 1.00 0.00 H new ATOM 0 HG LEU A 741 -7.832 1.531 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -5.785 1.930 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -5.866 2.848 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -4.834 1.402 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -6.958 -0.182 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -6.151 -0.956 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -7.926 -0.845 -0.073 1.00 0.00 H new ATOM 270 N ARG A 742 -9.975 1.650 2.338 1.00 0.00 N ATOM 271 CA ARG A 742 -11.258 1.785 1.741 1.00 0.00 C ATOM 272 C ARG A 742 -11.678 3.182 1.766 1.00 0.00 C ATOM 273 O ARG A 742 -12.227 3.603 0.861 1.00 0.00 O ATOM 274 CB ARG A 742 -12.297 1.012 2.504 1.00 0.00 C ATOM 275 CG ARG A 742 -11.879 -0.354 2.884 1.00 0.00 C ATOM 276 CD ARG A 742 -11.604 -1.231 1.670 1.00 0.00 C ATOM 277 NE ARG A 742 -12.291 -2.509 1.764 1.00 0.00 N ATOM 278 CZ ARG A 742 -13.139 -2.970 0.841 1.00 0.00 C ATOM 279 NH1 ARG A 742 -13.655 -2.144 -0.082 1.00 0.00 N ATOM 280 NH2 ARG A 742 -13.562 -4.215 0.902 1.00 0.00 N ATOM 0 H ARG A 742 -9.955 1.006 3.129 1.00 0.00 H new ATOM 0 HA ARG A 742 -11.175 1.409 0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -12.555 1.565 3.407 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -13.202 0.948 1.900 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -10.982 -0.299 3.501 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -12.657 -0.814 3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -11.923 -0.712 0.766 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -10.531 -1.400 1.579 1.00 0.00 H new ATOM 0 HE ARG A 742 -12.115 -3.089 2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -13.400 -1.156 -0.082 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -14.302 -2.504 -0.784 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -13.242 -4.826 1.653 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -14.210 -4.569 0.198 1.00 0.00 H new ATOM 294 N GLN A 743 -11.342 3.917 2.813 1.00 0.00 N ATOM 295 CA GLN A 743 -11.804 5.352 2.949 1.00 0.00 C ATOM 296 C GLN A 743 -11.473 6.191 1.743 1.00 0.00 C ATOM 297 O GLN A 743 -12.170 7.150 1.419 1.00 0.00 O ATOM 298 CB GLN A 743 -11.119 6.032 4.111 1.00 0.00 C ATOM 299 CG GLN A 743 -11.894 6.106 5.400 1.00 0.00 C ATOM 300 CD GLN A 743 -12.092 4.801 6.130 1.00 0.00 C ATOM 301 OE1 GLN A 743 -13.113 4.594 6.782 1.00 0.00 O ATOM 302 NE2 GLN A 743 -11.110 3.970 6.090 1.00 0.00 N ATOM 0 H GLN A 743 -10.764 3.583 3.584 1.00 0.00 H new ATOM 0 HA GLN A 743 -12.884 5.287 3.083 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -10.182 5.511 4.306 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -10.862 7.047 3.809 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -11.383 6.799 6.068 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -12.874 6.532 5.187 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -10.282 4.185 5.534 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -11.160 3.096 6.614 1.00 0.00 H new ATOM 311 N ASP A 744 -10.453 5.810 1.121 1.00 0.00 N ATOM 312 CA ASP A 744 -9.940 6.468 -0.080 1.00 0.00 C ATOM 313 C ASP A 744 -10.804 6.121 -1.273 1.00 0.00 C ATOM 314 O ASP A 744 -11.320 6.989 -1.981 1.00 0.00 O ATOM 315 CB ASP A 744 -8.568 5.903 -0.342 1.00 0.00 C ATOM 316 CG ASP A 744 -7.722 6.719 -1.260 1.00 0.00 C ATOM 317 OD1 ASP A 744 -7.772 6.505 -2.468 1.00 0.00 O ATOM 318 OD2 ASP A 744 -6.966 7.558 -0.766 1.00 0.00 O ATOM 0 H ASP A 744 -9.898 5.004 1.409 1.00 0.00 H new ATOM 0 HA ASP A 744 -9.929 7.548 0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 744 -8.047 5.794 0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 744 -8.676 4.903 -0.762 1.00 0.00 H new ATOM 323 N LEU A 745 -10.923 4.845 -1.499 1.00 0.00 N ATOM 324 CA LEU A 745 -11.626 4.324 -2.637 1.00 0.00 C ATOM 325 C LEU A 745 -12.832 3.458 -2.280 1.00 0.00 C ATOM 326 O LEU A 745 -12.985 2.359 -2.819 1.00 0.00 O ATOM 327 CB LEU A 745 -10.632 3.585 -3.560 1.00 0.00 C ATOM 328 CG LEU A 745 -9.471 2.800 -2.873 1.00 0.00 C ATOM 329 CD1 LEU A 745 -9.950 1.708 -1.924 1.00 0.00 C ATOM 330 CD2 LEU A 745 -8.540 2.216 -3.906 1.00 0.00 C ATOM 0 H LEU A 745 -10.530 4.127 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 745 -12.053 5.173 -3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.198 2.884 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -10.191 4.317 -4.237 1.00 0.00 H new ATOM 0 HG LEU A 745 -8.936 3.529 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.089 1.205 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -10.554 2.153 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.550 0.984 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -7.738 1.673 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -9.094 1.534 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -8.115 3.019 -4.508 1.00 0.00 H new ATOM 342 N LYS A 746 -13.624 3.890 -1.298 1.00 0.00 N ATOM 343 CA LYS A 746 -14.787 3.061 -0.855 1.00 0.00 C ATOM 344 C LYS A 746 -15.740 2.789 -2.003 1.00 0.00 C ATOM 345 O LYS A 746 -16.310 3.722 -2.581 1.00 0.00 O ATOM 346 CB LYS A 746 -15.602 3.646 0.331 1.00 0.00 C ATOM 347 CG LYS A 746 -14.872 3.758 1.675 1.00 0.00 C ATOM 348 CD LYS A 746 -15.855 3.807 2.830 1.00 0.00 C ATOM 349 CE LYS A 746 -15.148 3.783 4.177 1.00 0.00 C ATOM 350 NZ LYS A 746 -16.090 3.904 5.303 1.00 0.00 N ATOM 0 H LYS A 746 -13.505 4.772 -0.800 1.00 0.00 H new ATOM 0 HA LYS A 746 -14.327 2.139 -0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -15.950 4.639 0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -16.487 3.027 0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -14.202 2.907 1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -14.253 4.655 1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -16.460 4.710 2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -16.537 2.959 2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -14.586 2.854 4.274 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -14.426 4.598 4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -15.564 3.883 6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -16.608 4.802 5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -16.764 3.112 5.278 1.00 0.00 H new ATOM 364 N GLY A 747 -15.927 1.517 -2.303 1.00 0.00 N ATOM 365 CA GLY A 747 -16.827 1.119 -3.355 1.00 0.00 C ATOM 366 C GLY A 747 -16.277 1.384 -4.726 1.00 0.00 C ATOM 367 O GLY A 747 -16.870 2.147 -5.496 1.00 0.00 O ATOM 0 H GLY A 747 -15.463 0.743 -1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -17.046 0.056 -3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -17.771 1.651 -3.239 1.00 0.00 H new ATOM 371 N LYS A 748 -15.157 0.756 -5.062 1.00 0.00 N ATOM 372 CA LYS A 748 -14.572 0.964 -6.386 1.00 0.00 C ATOM 373 C LYS A 748 -14.380 -0.363 -7.125 1.00 0.00 C ATOM 374 O LYS A 748 -14.204 -0.390 -8.345 1.00 0.00 O ATOM 375 CB LYS A 748 -13.203 1.701 -6.308 1.00 0.00 C ATOM 376 CG LYS A 748 -11.968 0.799 -6.062 1.00 0.00 C ATOM 377 CD LYS A 748 -11.920 0.165 -4.677 1.00 0.00 C ATOM 378 CE LYS A 748 -10.928 -0.986 -4.655 1.00 0.00 C ATOM 379 NZ LYS A 748 -10.541 -1.390 -3.290 1.00 0.00 N ATOM 0 H LYS A 748 -14.645 0.115 -4.457 1.00 0.00 H new ATOM 0 HA LYS A 748 -15.276 1.588 -6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -13.052 2.247 -7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -13.254 2.441 -5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -11.956 0.008 -6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -11.065 1.391 -6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -11.635 0.913 -3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -12.911 -0.195 -4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -11.362 -1.842 -5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -10.035 -0.699 -5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -9.537 -1.167 -3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -11.122 -0.876 -2.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -10.690 -2.413 -3.175 1.00 0.00 H new ATOM 393 N GLY A 749 -14.271 -1.439 -6.368 1.00 0.00 N ATOM 394 CA GLY A 749 -13.953 -2.720 -6.941 1.00 0.00 C ATOM 395 C GLY A 749 -15.149 -3.505 -7.278 1.00 0.00 C ATOM 396 O GLY A 749 -16.216 -3.290 -6.692 1.00 0.00 O ATOM 0 H GLY A 749 -14.399 -1.445 -5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -13.355 -2.572 -7.840 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -13.339 -3.285 -6.239 1.00 0.00 H new ATOM 400 N HIS A 750 -14.960 -4.504 -8.119 1.00 0.00 N ATOM 401 CA HIS A 750 -16.025 -5.444 -8.409 1.00 0.00 C ATOM 402 C HIS A 750 -16.125 -6.322 -7.191 1.00 0.00 C ATOM 403 O HIS A 750 -17.100 -6.248 -6.432 1.00 0.00 O ATOM 404 CB HIS A 750 -15.709 -6.262 -9.661 1.00 0.00 C ATOM 405 CG HIS A 750 -16.828 -7.119 -10.132 1.00 0.00 C ATOM 406 ND1 HIS A 750 -17.920 -6.625 -10.807 1.00 0.00 N ATOM 407 CD2 HIS A 750 -17.010 -8.446 -10.035 1.00 0.00 C ATOM 408 CE1 HIS A 750 -18.734 -7.626 -11.106 1.00 0.00 C ATOM 409 NE2 HIS A 750 -18.200 -8.746 -10.647 1.00 0.00 N ATOM 0 H HIS A 750 -14.085 -4.685 -8.610 1.00 0.00 H new ATOM 0 HA HIS A 750 -16.968 -4.937 -8.614 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -15.426 -5.581 -10.464 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -14.844 -6.893 -9.459 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -16.341 -9.149 -9.561 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -19.672 -7.542 -11.634 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -18.606 -9.678 -10.734 1.00 0.00 H new ATOM 418 N THR A 751 -15.008 -6.927 -6.857 1.00 0.00 N ATOM 419 CA THR A 751 -14.870 -7.538 -5.580 1.00 0.00 C ATOM 420 C THR A 751 -13.508 -7.105 -5.082 1.00 0.00 C ATOM 421 O THR A 751 -12.557 -7.039 -5.872 1.00 0.00 O ATOM 422 CB THR A 751 -14.878 -9.050 -5.721 1.00 0.00 C ATOM 423 OG1 THR A 751 -15.709 -9.448 -6.794 1.00 0.00 O ATOM 424 CG2 THR A 751 -15.377 -9.766 -4.489 1.00 0.00 C ATOM 0 H THR A 751 -14.189 -7.002 -7.460 1.00 0.00 H new ATOM 0 HA THR A 751 -15.680 -7.254 -4.908 1.00 0.00 H new ATOM 0 HB THR A 751 -13.837 -9.324 -5.892 1.00 0.00 H new ATOM 0 HG1 THR A 751 -15.203 -9.407 -7.632 1.00 0.00 H new ATOM 0 HG21 THR A 751 -15.356 -10.842 -4.660 1.00 0.00 H new ATOM 0 HG22 THR A 751 -14.737 -9.521 -3.641 1.00 0.00 H new ATOM 0 HG23 THR A 751 -16.399 -9.453 -4.275 1.00 0.00 H new ATOM 432 N ASP A 752 -13.371 -6.886 -3.801 1.00 0.00 N ATOM 433 CA ASP A 752 -12.075 -6.547 -3.245 1.00 0.00 C ATOM 434 C ASP A 752 -11.071 -7.644 -3.292 1.00 0.00 C ATOM 435 O ASP A 752 -9.904 -7.378 -3.420 1.00 0.00 O ATOM 436 CB ASP A 752 -12.134 -5.809 -1.934 1.00 0.00 C ATOM 437 CG ASP A 752 -12.639 -4.426 -2.147 1.00 0.00 C ATOM 438 OD1 ASP A 752 -11.831 -3.530 -2.435 1.00 0.00 O ATOM 439 OD2 ASP A 752 -13.847 -4.214 -2.044 1.00 0.00 O ATOM 0 H ASP A 752 -14.131 -6.934 -3.122 1.00 0.00 H new ATOM 0 HA ASP A 752 -11.680 -5.810 -3.944 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -12.785 -6.339 -1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -11.143 -5.777 -1.481 1.00 0.00 H new ATOM 444 N ALA A 753 -11.535 -8.890 -3.176 1.00 0.00 N ATOM 445 CA ALA A 753 -10.642 -10.062 -3.206 1.00 0.00 C ATOM 446 C ALA A 753 -9.865 -10.145 -4.510 1.00 0.00 C ATOM 447 O ALA A 753 -8.699 -10.528 -4.519 1.00 0.00 O ATOM 448 CB ALA A 753 -11.419 -11.348 -2.992 1.00 0.00 C ATOM 0 H ALA A 753 -12.522 -9.119 -3.060 1.00 0.00 H new ATOM 0 HA ALA A 753 -9.931 -9.937 -2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -10.734 -12.196 -3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -11.917 -11.315 -2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -12.164 -11.458 -3.780 1.00 0.00 H new ATOM 454 N GLU A 754 -10.520 -9.786 -5.600 1.00 0.00 N ATOM 455 CA GLU A 754 -9.901 -9.792 -6.925 1.00 0.00 C ATOM 456 C GLU A 754 -8.790 -8.739 -6.997 1.00 0.00 C ATOM 457 O GLU A 754 -7.690 -9.016 -7.462 1.00 0.00 O ATOM 458 CB GLU A 754 -10.967 -9.540 -7.988 1.00 0.00 C ATOM 459 CG GLU A 754 -12.125 -10.537 -7.934 1.00 0.00 C ATOM 460 CD GLU A 754 -13.192 -10.240 -8.927 1.00 0.00 C ATOM 461 OE1 GLU A 754 -13.833 -9.204 -8.799 1.00 0.00 O ATOM 462 OE2 GLU A 754 -13.407 -11.059 -9.829 1.00 0.00 O ATOM 0 H GLU A 754 -11.494 -9.482 -5.598 1.00 0.00 H new ATOM 0 HA GLU A 754 -9.450 -10.767 -7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -11.360 -8.531 -7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -10.504 -9.585 -8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -11.741 -11.542 -8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -12.556 -10.532 -6.933 1.00 0.00 H new ATOM 469 N ILE A 755 -9.067 -7.559 -6.452 1.00 0.00 N ATOM 470 CA ILE A 755 -8.089 -6.486 -6.380 1.00 0.00 C ATOM 471 C ILE A 755 -6.976 -6.853 -5.387 1.00 0.00 C ATOM 472 O ILE A 755 -5.808 -6.544 -5.592 1.00 0.00 O ATOM 473 CB ILE A 755 -8.761 -5.140 -6.027 1.00 0.00 C ATOM 474 CG1 ILE A 755 -9.868 -4.870 -7.045 1.00 0.00 C ATOM 475 CG2 ILE A 755 -7.749 -3.993 -6.048 1.00 0.00 C ATOM 476 CD1 ILE A 755 -10.566 -3.566 -6.864 1.00 0.00 C ATOM 0 H ILE A 755 -9.974 -7.323 -6.050 1.00 0.00 H new ATOM 0 HA ILE A 755 -7.633 -6.360 -7.362 1.00 0.00 H new ATOM 0 HB ILE A 755 -9.173 -5.201 -5.020 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -9.440 -4.903 -8.047 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -10.603 -5.673 -6.986 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -8.252 -3.059 -5.796 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -6.962 -4.189 -5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -7.311 -3.912 -7.043 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -11.336 -3.456 -7.628 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -11.028 -3.534 -5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -9.846 -2.752 -6.954 1.00 0.00 H new ATOM 488 N GLU A 756 -7.355 -7.509 -4.323 1.00 0.00 N ATOM 489 CA GLU A 756 -6.435 -7.963 -3.307 1.00 0.00 C ATOM 490 C GLU A 756 -5.417 -8.965 -3.913 1.00 0.00 C ATOM 491 O GLU A 756 -4.254 -9.001 -3.508 1.00 0.00 O ATOM 492 CB GLU A 756 -7.232 -8.598 -2.168 1.00 0.00 C ATOM 493 CG GLU A 756 -6.431 -8.962 -0.943 1.00 0.00 C ATOM 494 CD GLU A 756 -7.276 -9.588 0.093 1.00 0.00 C ATOM 495 OE1 GLU A 756 -7.845 -8.861 0.902 1.00 0.00 O ATOM 496 OE2 GLU A 756 -7.380 -10.813 0.104 1.00 0.00 O ATOM 0 H GLU A 756 -8.328 -7.749 -4.132 1.00 0.00 H new ATOM 0 HA GLU A 756 -5.868 -7.120 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -8.023 -7.909 -1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -7.718 -9.498 -2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -5.630 -9.646 -1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -5.959 -8.067 -0.537 1.00 0.00 H new ATOM 503 N ALA A 757 -5.840 -9.706 -4.942 1.00 0.00 N ATOM 504 CA ALA A 757 -4.936 -10.635 -5.647 1.00 0.00 C ATOM 505 C ALA A 757 -3.827 -9.866 -6.363 1.00 0.00 C ATOM 506 O ALA A 757 -2.636 -10.178 -6.212 1.00 0.00 O ATOM 507 CB ALA A 757 -5.702 -11.494 -6.645 1.00 0.00 C ATOM 0 H ALA A 757 -6.792 -9.685 -5.307 1.00 0.00 H new ATOM 0 HA ALA A 757 -4.487 -11.291 -4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -5.011 -12.169 -7.150 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -6.458 -12.076 -6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -6.186 -10.852 -7.382 1.00 0.00 H new ATOM 513 N ILE A 758 -4.209 -8.790 -7.045 1.00 0.00 N ATOM 514 CA ILE A 758 -3.241 -7.917 -7.684 1.00 0.00 C ATOM 515 C ILE A 758 -2.392 -7.161 -6.638 1.00 0.00 C ATOM 516 O ILE A 758 -1.172 -7.099 -6.763 1.00 0.00 O ATOM 517 CB ILE A 758 -3.898 -7.009 -8.848 1.00 0.00 C ATOM 518 CG1 ILE A 758 -3.090 -5.752 -9.264 1.00 0.00 C ATOM 519 CG2 ILE A 758 -5.329 -6.635 -8.567 1.00 0.00 C ATOM 520 CD1 ILE A 758 -3.192 -4.568 -8.308 1.00 0.00 C ATOM 0 H ILE A 758 -5.181 -8.506 -7.167 1.00 0.00 H new ATOM 0 HA ILE A 758 -2.524 -8.533 -8.227 1.00 0.00 H new ATOM 0 HB ILE A 758 -3.867 -7.678 -9.708 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -2.041 -6.030 -9.361 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -3.428 -5.432 -10.250 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -5.713 -6.026 -9.385 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -5.930 -7.540 -8.475 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -5.381 -6.068 -7.637 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -2.592 -3.741 -8.688 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -4.233 -4.254 -8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -2.824 -4.861 -7.325 1.00 0.00 H new ATOM 532 N PHE A 759 -3.031 -6.710 -5.546 1.00 0.00 N ATOM 533 CA PHE A 759 -2.335 -6.031 -4.418 1.00 0.00 C ATOM 534 C PHE A 759 -1.234 -6.892 -3.802 1.00 0.00 C ATOM 535 O PHE A 759 -0.250 -6.372 -3.307 1.00 0.00 O ATOM 536 CB PHE A 759 -3.356 -5.554 -3.326 1.00 0.00 C ATOM 537 CG PHE A 759 -3.019 -5.912 -1.880 1.00 0.00 C ATOM 538 CD1 PHE A 759 -2.246 -5.082 -1.100 1.00 0.00 C ATOM 539 CD2 PHE A 759 -3.503 -7.077 -1.311 1.00 0.00 C ATOM 540 CE1 PHE A 759 -1.967 -5.405 0.207 1.00 0.00 C ATOM 541 CE2 PHE A 759 -3.219 -7.406 -0.006 1.00 0.00 C ATOM 542 CZ PHE A 759 -2.452 -6.567 0.755 1.00 0.00 C ATOM 0 H PHE A 759 -4.038 -6.800 -5.411 1.00 0.00 H new ATOM 0 HA PHE A 759 -1.847 -5.152 -4.838 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -3.451 -4.470 -3.397 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -4.333 -5.976 -3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -1.854 -4.167 -1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -4.116 -7.741 -1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -1.362 -4.741 0.807 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -3.600 -8.324 0.417 1.00 0.00 H new ATOM 0 HZ PHE A 759 -2.229 -6.817 1.782 1.00 0.00 H new ATOM 552 N THR A 760 -1.414 -8.195 -3.817 1.00 0.00 N ATOM 553 CA THR A 760 -0.453 -9.093 -3.220 1.00 0.00 C ATOM 554 C THR A 760 0.948 -8.936 -3.867 1.00 0.00 C ATOM 555 O THR A 760 1.939 -8.786 -3.167 1.00 0.00 O ATOM 556 CB THR A 760 -0.991 -10.533 -3.291 1.00 0.00 C ATOM 557 OG1 THR A 760 -2.253 -10.616 -2.634 1.00 0.00 O ATOM 558 CG2 THR A 760 -0.098 -11.567 -2.651 1.00 0.00 C ATOM 0 H THR A 760 -2.220 -8.656 -4.238 1.00 0.00 H new ATOM 0 HA THR A 760 -0.319 -8.838 -2.169 1.00 0.00 H new ATOM 0 HB THR A 760 -1.055 -10.753 -4.357 1.00 0.00 H new ATOM 0 HG1 THR A 760 -2.904 -10.055 -3.104 1.00 0.00 H new ATOM 0 HG21 THR A 760 -0.555 -12.552 -2.747 1.00 0.00 H new ATOM 0 HG22 THR A 760 0.873 -11.567 -3.147 1.00 0.00 H new ATOM 0 HG23 THR A 760 0.034 -11.330 -1.595 1.00 0.00 H new ATOM 566 N LYS A 761 1.019 -8.902 -5.186 1.00 0.00 N ATOM 567 CA LYS A 761 2.312 -8.673 -5.841 1.00 0.00 C ATOM 568 C LYS A 761 2.589 -7.196 -6.187 1.00 0.00 C ATOM 569 O LYS A 761 3.713 -6.716 -6.029 1.00 0.00 O ATOM 570 CB LYS A 761 2.528 -9.572 -7.075 1.00 0.00 C ATOM 571 CG LYS A 761 2.859 -11.050 -6.761 1.00 0.00 C ATOM 572 CD LYS A 761 1.721 -11.826 -6.086 1.00 0.00 C ATOM 573 CE LYS A 761 0.873 -12.630 -7.082 1.00 0.00 C ATOM 574 NZ LYS A 761 0.289 -11.810 -8.156 1.00 0.00 N ATOM 0 H LYS A 761 0.227 -9.025 -5.817 1.00 0.00 H new ATOM 0 HA LYS A 761 3.045 -8.958 -5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 761 1.629 -9.540 -7.690 1.00 0.00 H new ATOM 0 HB3 LYS A 761 3.338 -9.154 -7.673 1.00 0.00 H new ATOM 0 HG2 LYS A 761 3.126 -11.555 -7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 761 3.737 -11.084 -6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 761 2.141 -12.505 -5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 761 1.078 -11.127 -5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 761 1.492 -13.409 -7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 761 0.070 -13.131 -6.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -0.311 -12.406 -8.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -0.286 -11.051 -7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 1.051 -11.393 -8.728 1.00 0.00 H new ATOM 588 N TYR A 762 1.593 -6.538 -6.758 1.00 0.00 N ATOM 589 CA TYR A 762 1.699 -5.161 -7.314 1.00 0.00 C ATOM 590 C TYR A 762 1.709 -4.011 -6.294 1.00 0.00 C ATOM 591 O TYR A 762 1.606 -2.849 -6.718 1.00 0.00 O ATOM 592 CB TYR A 762 0.584 -4.875 -8.327 1.00 0.00 C ATOM 593 CG TYR A 762 0.556 -5.735 -9.575 1.00 0.00 C ATOM 594 CD1 TYR A 762 -0.006 -7.001 -9.563 1.00 0.00 C ATOM 595 CD2 TYR A 762 1.033 -5.253 -10.780 1.00 0.00 C ATOM 596 CE1 TYR A 762 -0.092 -7.758 -10.702 1.00 0.00 C ATOM 597 CE2 TYR A 762 0.961 -6.014 -11.926 1.00 0.00 C ATOM 598 CZ TYR A 762 0.391 -7.263 -11.878 1.00 0.00 C ATOM 599 OH TYR A 762 0.293 -8.012 -13.012 1.00 0.00 O ATOM 0 H TYR A 762 0.660 -6.938 -6.860 1.00 0.00 H new ATOM 0 HA TYR A 762 2.683 -5.173 -7.782 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -0.374 -4.984 -7.818 1.00 0.00 H new ATOM 0 HB3 TYR A 762 0.664 -3.832 -8.635 1.00 0.00 H new ATOM 0 HD1 TYR A 762 -0.385 -7.401 -8.634 1.00 0.00 H new ATOM 0 HD2 TYR A 762 1.468 -4.266 -10.823 1.00 0.00 H new ATOM 0 HE1 TYR A 762 -0.539 -8.740 -10.669 1.00 0.00 H new ATOM 0 HE2 TYR A 762 1.351 -5.631 -12.857 1.00 0.00 H new ATOM 0 HH TYR A 762 0.682 -7.519 -13.764 1.00 0.00 H new ATOM 609 N ASP A 763 1.612 -4.293 -4.991 1.00 0.00 N ATOM 610 CA ASP A 763 1.380 -3.201 -4.012 1.00 0.00 C ATOM 611 C ASP A 763 2.494 -2.174 -3.998 1.00 0.00 C ATOM 612 O ASP A 763 3.677 -2.495 -4.169 1.00 0.00 O ATOM 613 CB ASP A 763 1.187 -3.721 -2.604 1.00 0.00 C ATOM 614 CG ASP A 763 0.682 -2.644 -1.704 1.00 0.00 C ATOM 615 OD1 ASP A 763 -0.505 -2.405 -1.730 1.00 0.00 O ATOM 616 OD2 ASP A 763 1.482 -2.009 -1.017 1.00 0.00 O ATOM 0 H ASP A 763 1.686 -5.228 -4.590 1.00 0.00 H new ATOM 0 HA ASP A 763 0.462 -2.719 -4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 763 0.483 -4.553 -2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 763 2.132 -4.107 -2.222 1.00 0.00 H new ATOM 621 N GLN A 764 2.080 -0.931 -3.872 1.00 0.00 N ATOM 622 CA GLN A 764 2.944 0.225 -3.941 1.00 0.00 C ATOM 623 C GLN A 764 3.885 0.359 -2.744 1.00 0.00 C ATOM 624 O GLN A 764 5.069 0.661 -2.929 1.00 0.00 O ATOM 625 CB GLN A 764 2.091 1.480 -4.094 1.00 0.00 C ATOM 626 CG GLN A 764 1.144 1.423 -5.289 1.00 0.00 C ATOM 627 CD GLN A 764 0.224 2.614 -5.364 1.00 0.00 C ATOM 628 OE1 GLN A 764 0.545 3.622 -5.997 1.00 0.00 O ATOM 629 NE2 GLN A 764 -0.915 2.518 -4.715 1.00 0.00 N ATOM 0 H GLN A 764 1.101 -0.691 -3.714 1.00 0.00 H new ATOM 0 HA GLN A 764 3.588 0.094 -4.810 1.00 0.00 H new ATOM 0 HB2 GLN A 764 1.509 1.629 -3.185 1.00 0.00 H new ATOM 0 HB3 GLN A 764 2.745 2.345 -4.199 1.00 0.00 H new ATOM 0 HG2 GLN A 764 1.728 1.363 -6.207 1.00 0.00 H new ATOM 0 HG3 GLN A 764 0.548 0.512 -5.231 1.00 0.00 H new ATOM 0 HE21 GLN A 764 -1.140 1.665 -4.204 1.00 0.00 H new ATOM 0 HE22 GLN A 764 -1.574 3.297 -4.723 1.00 0.00 H new ATOM 638 N ASP A 765 3.396 0.147 -1.526 1.00 0.00 N ATOM 639 CA ASP A 765 4.267 0.293 -0.357 1.00 0.00 C ATOM 640 C ASP A 765 4.658 -1.040 0.211 1.00 0.00 C ATOM 641 O ASP A 765 5.368 -1.108 1.218 1.00 0.00 O ATOM 642 CB ASP A 765 3.595 1.148 0.727 1.00 0.00 C ATOM 643 CG ASP A 765 3.530 2.591 0.366 1.00 0.00 C ATOM 644 OD1 ASP A 765 2.726 2.957 -0.502 1.00 0.00 O ATOM 645 OD2 ASP A 765 4.292 3.379 0.946 1.00 0.00 O ATOM 0 H ASP A 765 2.433 -0.118 -1.322 1.00 0.00 H new ATOM 0 HA ASP A 765 5.172 0.799 -0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 765 2.585 0.776 0.903 1.00 0.00 H new ATOM 0 HB3 ASP A 765 4.143 1.037 1.663 1.00 0.00 H new ATOM 650 N GLY A 766 4.118 -2.091 -0.365 1.00 0.00 N ATOM 651 CA GLY A 766 4.330 -3.425 0.152 1.00 0.00 C ATOM 652 C GLY A 766 3.493 -3.658 1.389 1.00 0.00 C ATOM 653 O GLY A 766 3.767 -4.574 2.171 1.00 0.00 O ATOM 0 H GLY A 766 3.527 -2.047 -1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 766 4.074 -4.161 -0.610 1.00 0.00 H new ATOM 0 HA3 GLY A 766 5.385 -3.565 0.389 1.00 0.00 H new ATOM 657 N ASP A 767 2.485 -2.809 1.574 1.00 0.00 N ATOM 658 CA ASP A 767 1.615 -2.873 2.712 1.00 0.00 C ATOM 659 C ASP A 767 0.159 -2.806 2.347 1.00 0.00 C ATOM 660 O ASP A 767 -0.450 -3.847 2.190 1.00 0.00 O ATOM 661 CB ASP A 767 1.953 -1.822 3.768 1.00 0.00 C ATOM 662 CG ASP A 767 2.999 -2.291 4.719 1.00 0.00 C ATOM 663 OD1 ASP A 767 2.646 -3.006 5.660 1.00 0.00 O ATOM 664 OD2 ASP A 767 4.174 -1.951 4.540 1.00 0.00 O ATOM 0 H ASP A 767 2.259 -2.056 0.924 1.00 0.00 H new ATOM 0 HA ASP A 767 1.793 -3.856 3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 767 2.295 -0.912 3.275 1.00 0.00 H new ATOM 0 HB3 ASP A 767 1.051 -1.564 4.322 1.00 0.00 H new ATOM 669 N GLN A 768 -0.404 -1.551 2.281 1.00 0.00 N ATOM 670 CA GLN A 768 -1.875 -1.296 2.043 1.00 0.00 C ATOM 671 C GLN A 768 -2.643 -2.214 3.003 1.00 0.00 C ATOM 672 O GLN A 768 -3.346 -3.135 2.574 1.00 0.00 O ATOM 673 CB GLN A 768 -2.253 -1.666 0.619 1.00 0.00 C ATOM 674 CG GLN A 768 -3.378 -0.857 0.001 1.00 0.00 C ATOM 675 CD GLN A 768 -4.028 -1.587 -1.151 1.00 0.00 C ATOM 676 OE1 GLN A 768 -4.454 -0.980 -2.131 1.00 0.00 O ATOM 677 NE2 GLN A 768 -4.241 -2.865 -0.973 1.00 0.00 N ATOM 0 H GLN A 768 0.141 -0.696 2.390 1.00 0.00 H new ATOM 0 HA GLN A 768 -2.108 -0.243 2.204 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -1.369 -1.562 -0.010 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -2.536 -2.719 0.600 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -4.128 -0.637 0.761 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -2.988 0.099 -0.348 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -3.871 -3.333 -0.146 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -4.777 -3.393 -1.661 1.00 0.00 H new ATOM 686 N GLU A 769 -2.509 -1.908 4.297 1.00 0.00 N ATOM 687 CA GLU A 769 -3.030 -2.671 5.481 1.00 0.00 C ATOM 688 C GLU A 769 -2.163 -2.387 6.735 1.00 0.00 C ATOM 689 O GLU A 769 -2.246 -3.103 7.722 1.00 0.00 O ATOM 690 CB GLU A 769 -3.159 -4.193 5.291 1.00 0.00 C ATOM 691 CG GLU A 769 -1.911 -4.894 4.755 1.00 0.00 C ATOM 692 CD GLU A 769 -1.820 -6.314 5.157 1.00 0.00 C ATOM 693 OE1 GLU A 769 -2.549 -7.145 4.603 1.00 0.00 O ATOM 694 OE2 GLU A 769 -1.032 -6.610 6.052 1.00 0.00 O ATOM 0 H GLU A 769 -2.004 -1.070 4.585 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.048 -2.303 5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -3.424 -4.641 6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -3.986 -4.388 4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -1.906 -4.831 3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -1.026 -4.366 5.109 1.00 0.00 H new ATOM 701 N LEU A 770 -1.433 -1.255 6.738 1.00 0.00 N ATOM 702 CA LEU A 770 -0.693 -0.859 7.923 1.00 0.00 C ATOM 703 C LEU A 770 -1.134 0.536 8.425 1.00 0.00 C ATOM 704 O LEU A 770 -1.206 1.540 7.661 1.00 0.00 O ATOM 705 CB LEU A 770 0.819 -0.890 7.679 1.00 0.00 C ATOM 706 CG LEU A 770 1.699 -0.649 8.915 1.00 0.00 C ATOM 707 CD1 LEU A 770 1.431 -1.691 9.985 1.00 0.00 C ATOM 708 CD2 LEU A 770 3.158 -0.676 8.536 1.00 0.00 C ATOM 0 H LEU A 770 -1.348 -0.619 5.945 1.00 0.00 H new ATOM 0 HA LEU A 770 -0.923 -1.587 8.701 1.00 0.00 H new ATOM 0 HB2 LEU A 770 1.080 -1.859 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 770 1.063 -0.137 6.930 1.00 0.00 H new ATOM 0 HG LEU A 770 1.450 0.334 9.315 1.00 0.00 H new ATOM 0 HD11 LEU A 770 2.067 -1.497 10.849 1.00 0.00 H new ATOM 0 HD12 LEU A 770 0.385 -1.642 10.286 1.00 0.00 H new ATOM 0 HD13 LEU A 770 1.649 -2.683 9.589 1.00 0.00 H new ATOM 0 HD21 LEU A 770 3.768 -0.504 9.423 1.00 0.00 H new ATOM 0 HD22 LEU A 770 3.405 -1.648 8.109 1.00 0.00 H new ATOM 0 HD23 LEU A 770 3.358 0.104 7.801 1.00 0.00 H new ATOM 720 N THR A 771 -1.429 0.594 9.691 1.00 0.00 N ATOM 721 CA THR A 771 -1.850 1.775 10.328 1.00 0.00 C ATOM 722 C THR A 771 -0.778 2.241 11.305 1.00 0.00 C ATOM 723 O THR A 771 -0.148 1.408 11.988 1.00 0.00 O ATOM 724 CB THR A 771 -3.208 1.524 11.029 1.00 0.00 C ATOM 725 OG1 THR A 771 -3.656 2.646 11.757 1.00 0.00 O ATOM 726 CG2 THR A 771 -3.233 0.307 11.938 1.00 0.00 C ATOM 0 H THR A 771 -1.377 -0.212 10.314 1.00 0.00 H new ATOM 0 HA THR A 771 -1.994 2.570 9.596 1.00 0.00 H new ATOM 0 HB THR A 771 -3.888 1.328 10.200 1.00 0.00 H new ATOM 0 HG1 THR A 771 -4.428 2.393 12.306 1.00 0.00 H new ATOM 0 HG21 THR A 771 -4.222 0.208 12.386 1.00 0.00 H new ATOM 0 HG22 THR A 771 -3.007 -0.587 11.356 1.00 0.00 H new ATOM 0 HG23 THR A 771 -2.488 0.425 12.725 1.00 0.00 H new