USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=8 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 743 GLN : amide:sc= -2.44! K(o=-1.7!,f=-3.3) USER MOD Set 1.2: A 746 LYS NZ :NH3+ 164:sc= 0.765 (180deg=0) USER MOD Single : A 731 GLN : amide:sc= -12.6! C(o=-13!,f=-13!) USER MOD Single : A 735 LYS NZ :NH3+ 163:sc= -1.85 (180deg=-2.32!) USER MOD Single : A 737 ASN :FLIP amide:sc= -7.97! C(o=-11!,f=-8!) USER MOD Single : A 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 750 HIS : no HE2:sc= 0.0868 K(o=0.087,f=-2.2!) USER MOD Single : A 751 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 760 THR OG1 : rot 84:sc= 0.0257 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= 0 X(o=0,f=0) USER MOD Single : A 768 GLN : amide:sc= -7.73! C(o=-7.7!,f=-8.2!) USER MOD Single : A 771 THR OG1 : rot 180:sc= 0.00282 USER MOD ----------------------------------------------------------------- ATOM 68 N LEU A 729 -8.052 12.075 2.559 1.00 0.00 N ATOM 69 CA LEU A 729 -7.556 12.742 3.792 1.00 0.00 C ATOM 70 C LEU A 729 -6.532 11.883 4.522 1.00 0.00 C ATOM 71 O LEU A 729 -5.363 11.913 4.189 1.00 0.00 O ATOM 72 CB LEU A 729 -8.702 13.149 4.762 1.00 0.00 C ATOM 73 CG LEU A 729 -9.572 14.352 4.352 1.00 0.00 C ATOM 74 CD1 LEU A 729 -10.696 14.568 5.342 1.00 0.00 C ATOM 75 CD2 LEU A 729 -8.727 15.615 4.265 1.00 0.00 C ATOM 0 HA LEU A 729 -7.070 13.659 3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 729 -9.356 12.287 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 729 -8.261 13.366 5.735 1.00 0.00 H new ATOM 0 HG LEU A 729 -10.000 14.135 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 729 -11.296 15.423 5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 729 -11.324 13.678 5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 729 -10.278 14.759 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 729 -9.357 16.455 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 729 -8.276 15.819 5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 729 -7.941 15.477 3.522 1.00 0.00 H new ATOM 87 N ARG A 730 -6.991 11.068 5.480 1.00 0.00 N ATOM 88 CA ARG A 730 -6.132 10.174 6.229 1.00 0.00 C ATOM 89 C ARG A 730 -5.554 9.091 5.347 1.00 0.00 C ATOM 90 O ARG A 730 -4.386 8.728 5.456 1.00 0.00 O ATOM 91 CB ARG A 730 -6.927 9.551 7.388 1.00 0.00 C ATOM 92 CG ARG A 730 -8.397 9.260 7.073 1.00 0.00 C ATOM 93 CD ARG A 730 -9.112 8.534 8.208 1.00 0.00 C ATOM 94 NE ARG A 730 -10.569 8.663 8.067 1.00 0.00 N ATOM 95 CZ ARG A 730 -11.467 7.670 8.156 1.00 0.00 C ATOM 96 NH1 ARG A 730 -11.081 6.413 8.324 1.00 0.00 N ATOM 97 NH2 ARG A 730 -12.753 7.949 8.039 1.00 0.00 N ATOM 0 H ARG A 730 -7.973 11.018 5.750 1.00 0.00 H new ATOM 0 HA ARG A 730 -5.298 10.752 6.626 1.00 0.00 H new ATOM 0 HB2 ARG A 730 -6.442 8.621 7.684 1.00 0.00 H new ATOM 0 HB3 ARG A 730 -6.879 10.222 8.245 1.00 0.00 H new ATOM 0 HG2 ARG A 730 -8.912 10.198 6.866 1.00 0.00 H new ATOM 0 HG3 ARG A 730 -8.457 8.657 6.167 1.00 0.00 H new ATOM 0 HD2 ARG A 730 -8.833 7.480 8.206 1.00 0.00 H new ATOM 0 HD3 ARG A 730 -8.796 8.946 9.167 1.00 0.00 H new ATOM 0 HE ARG A 730 -10.933 9.598 7.884 1.00 0.00 H new ATOM 0 HH11 ARG A 730 -10.088 6.189 8.388 1.00 0.00 H new ATOM 0 HH12 ARG A 730 -11.777 5.670 8.390 1.00 0.00 H new ATOM 0 HH21 ARG A 730 -13.054 8.911 7.883 1.00 0.00 H new ATOM 0 HH22 ARG A 730 -13.445 7.202 8.105 1.00 0.00 H new ATOM 111 N GLN A 731 -6.380 8.605 4.471 1.00 0.00 N ATOM 112 CA GLN A 731 -6.017 7.594 3.536 1.00 0.00 C ATOM 113 C GLN A 731 -5.434 8.215 2.299 1.00 0.00 C ATOM 114 O GLN A 731 -4.404 7.797 1.795 1.00 0.00 O ATOM 115 CB GLN A 731 -7.240 6.739 3.190 1.00 0.00 C ATOM 116 CG GLN A 731 -6.933 5.618 2.230 1.00 0.00 C ATOM 117 CD GLN A 731 -5.835 4.734 2.736 1.00 0.00 C ATOM 118 OE1 GLN A 731 -5.069 4.196 1.966 1.00 0.00 O ATOM 119 NE2 GLN A 731 -5.836 4.478 4.015 1.00 0.00 N ATOM 0 H GLN A 731 -7.349 8.911 4.388 1.00 0.00 H new ATOM 0 HA GLN A 731 -5.260 6.950 3.983 1.00 0.00 H new ATOM 0 HB2 GLN A 731 -7.652 6.319 4.108 1.00 0.00 H new ATOM 0 HB3 GLN A 731 -8.010 7.378 2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 731 -7.832 5.023 2.067 1.00 0.00 H new ATOM 0 HG3 GLN A 731 -6.647 6.035 1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 731 -6.497 4.953 4.630 1.00 0.00 H new ATOM 0 HE22 GLN A 731 -5.175 3.803 4.401 1.00 0.00 H new ATOM 128 N GLY A 732 -6.147 9.198 1.790 1.00 0.00 N ATOM 129 CA GLY A 732 -5.762 9.855 0.562 1.00 0.00 C ATOM 130 C GLY A 732 -4.514 10.702 0.672 1.00 0.00 C ATOM 131 O GLY A 732 -4.050 11.268 -0.324 1.00 0.00 O ATOM 0 H GLY A 732 -7.002 9.560 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 732 -5.607 9.099 -0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 732 -6.586 10.485 0.227 1.00 0.00 H new ATOM 135 N GLY A 733 -3.979 10.808 1.861 1.00 0.00 N ATOM 136 CA GLY A 733 -2.774 11.578 2.057 1.00 0.00 C ATOM 137 C GLY A 733 -2.236 11.413 3.442 1.00 0.00 C ATOM 138 O GLY A 733 -2.105 12.390 4.177 1.00 0.00 O ATOM 0 H GLY A 733 -4.354 10.375 2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 733 -2.021 11.266 1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 733 -2.980 12.632 1.869 1.00 0.00 H new ATOM 142 N GLY A 734 -1.963 10.185 3.827 1.00 0.00 N ATOM 143 CA GLY A 734 -1.469 9.941 5.159 1.00 0.00 C ATOM 144 C GLY A 734 -0.803 8.602 5.291 1.00 0.00 C ATOM 145 O GLY A 734 0.410 8.497 5.157 1.00 0.00 O ATOM 0 H GLY A 734 -2.073 9.354 3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 734 -0.760 10.724 5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 734 -2.296 10.003 5.866 1.00 0.00 H new ATOM 149 N LYS A 735 -1.591 7.564 5.491 1.00 0.00 N ATOM 150 CA LYS A 735 -1.073 6.211 5.576 1.00 0.00 C ATOM 151 C LYS A 735 -1.973 5.368 4.732 1.00 0.00 C ATOM 152 O LYS A 735 -3.100 5.788 4.463 1.00 0.00 O ATOM 153 CB LYS A 735 -0.967 5.678 7.043 1.00 0.00 C ATOM 154 CG LYS A 735 -2.288 5.351 7.778 1.00 0.00 C ATOM 155 CD LYS A 735 -3.289 6.531 7.950 1.00 0.00 C ATOM 156 CE LYS A 735 -2.853 7.609 8.973 1.00 0.00 C ATOM 157 NZ LYS A 735 -1.641 8.387 8.583 1.00 0.00 N ATOM 0 H LYS A 735 -2.603 7.633 5.599 1.00 0.00 H new ATOM 0 HA LYS A 735 -0.045 6.179 5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 735 -0.356 4.775 7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 735 -0.428 6.419 7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 735 -2.792 4.550 7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 735 -2.043 4.963 8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 735 -3.436 7.008 6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 735 -4.254 6.128 8.257 1.00 0.00 H new ATOM 0 HE2 LYS A 735 -3.680 8.303 9.123 1.00 0.00 H new ATOM 0 HE3 LYS A 735 -2.664 7.125 9.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 -1.586 9.254 9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 -0.791 7.810 8.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 -1.700 8.640 7.576 1.00 0.00 H new ATOM 171 N LEU A 736 -1.567 4.194 4.331 1.00 0.00 N ATOM 172 CA LEU A 736 -2.482 3.433 3.526 1.00 0.00 C ATOM 173 C LEU A 736 -2.586 2.090 4.026 1.00 0.00 C ATOM 174 O LEU A 736 -1.598 1.396 4.183 1.00 0.00 O ATOM 175 CB LEU A 736 -2.108 3.431 2.031 1.00 0.00 C ATOM 176 CG LEU A 736 -0.754 2.812 1.566 1.00 0.00 C ATOM 177 CD1 LEU A 736 -0.714 2.730 0.058 1.00 0.00 C ATOM 178 CD2 LEU A 736 0.439 3.626 2.033 1.00 0.00 C ATOM 0 H LEU A 736 -0.665 3.763 4.532 1.00 0.00 H new ATOM 0 HA LEU A 736 -3.453 3.922 3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -2.903 2.908 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -2.124 4.467 1.691 1.00 0.00 H new ATOM 0 HG LEU A 736 -0.691 1.818 2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 736 0.235 2.297 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -1.534 2.104 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -0.814 3.730 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 736 1.359 3.156 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 736 0.372 4.636 1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 736 0.444 3.672 3.122 1.00 0.00 H new ATOM 190 N ASN A 737 -3.779 1.661 4.258 1.00 0.00 N ATOM 191 CA ASN A 737 -3.940 0.390 4.823 1.00 0.00 C ATOM 192 C ASN A 737 -5.192 -0.261 4.430 1.00 0.00 C ATOM 193 O ASN A 737 -6.129 0.218 4.769 1.00 0.00 O ATOM 194 CB ASN A 737 -3.795 0.397 6.384 1.00 0.00 C ATOM 195 CG ASN A 737 -4.391 1.522 7.146 1.00 0.00 C ATOM 196 OD1 ASN A 737 -4.162 2.696 6.703 1.00 0.00 O flip ATOM 197 ND2 ASN A 737 -4.967 1.316 8.199 1.00 0.00 N flip ATOM 0 H ASN A 737 -4.640 2.173 4.064 1.00 0.00 H new ATOM 0 HA ASN A 737 -3.121 -0.202 4.413 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -4.232 -0.527 6.762 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -2.731 0.365 6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 737 -5.128 0.359 8.514 1.00 0.00 H new ATOM 0 HD22 ASN A 737 -5.288 2.100 8.766 1.00 0.00 H new ATOM 204 N PHE A 738 -5.129 -1.438 3.751 1.00 0.00 N ATOM 205 CA PHE A 738 -6.306 -2.221 3.224 1.00 0.00 C ATOM 206 C PHE A 738 -7.686 -1.701 3.636 1.00 0.00 C ATOM 207 O PHE A 738 -8.370 -1.091 2.830 1.00 0.00 O ATOM 208 CB PHE A 738 -6.213 -3.746 3.483 1.00 0.00 C ATOM 209 CG PHE A 738 -7.175 -4.494 2.602 1.00 0.00 C ATOM 210 CD1 PHE A 738 -8.513 -4.647 2.946 1.00 0.00 C ATOM 211 CD2 PHE A 738 -6.752 -4.974 1.392 1.00 0.00 C ATOM 212 CE1 PHE A 738 -9.388 -5.272 2.094 1.00 0.00 C ATOM 213 CE2 PHE A 738 -7.623 -5.582 0.538 1.00 0.00 C ATOM 214 CZ PHE A 738 -8.938 -5.732 0.884 1.00 0.00 C ATOM 0 H PHE A 738 -4.239 -1.890 3.544 1.00 0.00 H new ATOM 0 HA PHE A 738 -6.223 -2.050 2.151 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -5.196 -4.091 3.295 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -6.432 -3.956 4.530 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -8.868 -4.270 3.894 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -5.715 -4.870 1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -10.423 -5.400 2.375 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -7.273 -5.947 -0.416 1.00 0.00 H new ATOM 0 HZ PHE A 738 -9.623 -6.214 0.202 1.00 0.00 H new ATOM 224 N ASP A 739 -8.088 -1.970 4.879 1.00 0.00 N ATOM 225 CA ASP A 739 -9.411 -1.556 5.393 1.00 0.00 C ATOM 226 C ASP A 739 -9.560 -0.030 5.441 1.00 0.00 C ATOM 227 O ASP A 739 -10.612 0.521 5.120 1.00 0.00 O ATOM 228 CB ASP A 739 -9.647 -2.152 6.789 1.00 0.00 C ATOM 229 CG ASP A 739 -10.982 -1.799 7.344 1.00 0.00 C ATOM 230 OD1 ASP A 739 -11.967 -2.424 6.956 1.00 0.00 O ATOM 231 OD2 ASP A 739 -11.061 -0.892 8.165 1.00 0.00 O ATOM 0 H ASP A 739 -7.519 -2.475 5.558 1.00 0.00 H new ATOM 0 HA ASP A 739 -10.163 -1.937 4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -9.555 -3.237 6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -8.871 -1.798 7.467 1.00 0.00 H new ATOM 236 N GLU A 740 -8.480 0.631 5.727 1.00 0.00 N ATOM 237 CA GLU A 740 -8.419 2.078 5.717 1.00 0.00 C ATOM 238 C GLU A 740 -8.204 2.599 4.273 1.00 0.00 C ATOM 239 O GLU A 740 -8.695 3.653 3.921 1.00 0.00 O ATOM 240 CB GLU A 740 -7.411 2.577 6.792 1.00 0.00 C ATOM 241 CG GLU A 740 -7.095 4.085 6.925 1.00 0.00 C ATOM 242 CD GLU A 740 -8.270 4.967 7.140 1.00 0.00 C ATOM 243 OE1 GLU A 740 -8.863 4.903 8.224 1.00 0.00 O ATOM 244 OE2 GLU A 740 -8.583 5.755 6.244 1.00 0.00 O ATOM 0 H GLU A 740 -7.599 0.183 5.979 1.00 0.00 H new ATOM 0 HA GLU A 740 -9.371 2.516 6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -7.778 2.238 7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -6.466 2.064 6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 740 -6.403 4.222 7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 740 -6.578 4.411 6.023 1.00 0.00 H new ATOM 251 N LEU A 741 -7.541 1.793 3.399 1.00 0.00 N ATOM 252 CA LEU A 741 -7.358 2.144 1.979 1.00 0.00 C ATOM 253 C LEU A 741 -8.696 2.393 1.282 1.00 0.00 C ATOM 254 O LEU A 741 -8.774 3.134 0.304 1.00 0.00 O ATOM 255 CB LEU A 741 -6.690 1.005 1.240 1.00 0.00 C ATOM 256 CG LEU A 741 -6.613 1.206 -0.284 1.00 0.00 C ATOM 257 CD1 LEU A 741 -5.402 2.007 -0.711 1.00 0.00 C ATOM 258 CD2 LEU A 741 -6.773 -0.069 -1.063 1.00 0.00 C ATOM 0 H LEU A 741 -7.128 0.898 3.661 1.00 0.00 H new ATOM 0 HA LEU A 741 -6.749 3.048 1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.681 0.875 1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.233 0.083 1.447 1.00 0.00 H new ATOM 0 HG LEU A 741 -7.481 1.813 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -5.402 2.116 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -5.436 2.993 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -4.495 1.490 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -6.708 0.146 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -5.983 -0.767 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -7.744 -0.512 -0.840 1.00 0.00 H new ATOM 270 N ARG A 742 -9.728 1.745 1.772 1.00 0.00 N ATOM 271 CA ARG A 742 -11.039 1.812 1.229 1.00 0.00 C ATOM 272 C ARG A 742 -11.518 3.171 1.291 1.00 0.00 C ATOM 273 O ARG A 742 -12.149 3.557 0.447 1.00 0.00 O ATOM 274 CB ARG A 742 -11.991 0.890 1.954 1.00 0.00 C ATOM 275 CG ARG A 742 -11.367 -0.427 2.240 1.00 0.00 C ATOM 276 CD ARG A 742 -10.954 -1.182 0.953 1.00 0.00 C ATOM 277 NE ARG A 742 -11.839 -2.303 0.644 1.00 0.00 N ATOM 278 CZ ARG A 742 -12.678 -2.378 -0.416 1.00 0.00 C ATOM 279 NH1 ARG A 742 -12.854 -1.331 -1.252 1.00 0.00 N ATOM 280 NH2 ARG A 742 -13.340 -3.502 -0.631 1.00 0.00 N ATOM 0 H ARG A 742 -9.661 1.139 2.589 1.00 0.00 H new ATOM 0 HA ARG A 742 -10.994 1.485 0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -12.307 1.354 2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -12.888 0.745 1.351 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -10.489 -0.280 2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -12.066 -1.040 2.808 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -10.951 -0.486 0.114 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -9.934 -1.551 1.065 1.00 0.00 H new ATOM 0 HE ARG A 742 -11.823 -3.098 1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -12.349 -0.459 -1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -13.492 -1.412 -2.044 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -13.215 -4.296 -0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -13.976 -3.575 -1.425 1.00 0.00 H new ATOM 294 N GLN A 743 -11.122 3.920 2.306 1.00 0.00 N ATOM 295 CA GLN A 743 -11.590 5.354 2.456 1.00 0.00 C ATOM 296 C GLN A 743 -11.351 6.163 1.224 1.00 0.00 C ATOM 297 O GLN A 743 -12.103 7.080 0.905 1.00 0.00 O ATOM 298 CB GLN A 743 -10.819 6.077 3.534 1.00 0.00 C ATOM 299 CG GLN A 743 -11.514 6.212 4.849 1.00 0.00 C ATOM 300 CD GLN A 743 -11.746 4.918 5.568 1.00 0.00 C ATOM 301 OE1 GLN A 743 -12.738 4.743 6.255 1.00 0.00 O ATOM 302 NE2 GLN A 743 -10.805 4.053 5.475 1.00 0.00 N ATOM 0 H GLN A 743 -10.492 3.600 3.042 1.00 0.00 H new ATOM 0 HA GLN A 743 -12.653 5.273 2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -9.877 5.553 3.694 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -10.571 7.074 3.171 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -10.926 6.868 5.490 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -12.475 6.701 4.689 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -9.993 4.244 4.887 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -10.868 3.174 5.989 1.00 0.00 H new ATOM 311 N ASP A 744 -10.331 5.823 0.567 1.00 0.00 N ATOM 312 CA ASP A 744 -9.948 6.496 -0.661 1.00 0.00 C ATOM 313 C ASP A 744 -10.817 6.048 -1.807 1.00 0.00 C ATOM 314 O ASP A 744 -11.466 6.851 -2.481 1.00 0.00 O ATOM 315 CB ASP A 744 -8.529 6.169 -0.956 1.00 0.00 C ATOM 316 CG ASP A 744 -7.900 7.131 -1.895 1.00 0.00 C ATOM 317 OD1 ASP A 744 -7.731 8.297 -1.515 1.00 0.00 O ATOM 318 OD2 ASP A 744 -7.530 6.721 -2.997 1.00 0.00 O ATOM 0 H ASP A 744 -9.707 5.064 0.841 1.00 0.00 H new ATOM 0 HA ASP A 744 -10.073 7.572 -0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 744 -7.963 6.155 -0.025 1.00 0.00 H new ATOM 0 HB3 ASP A 744 -8.472 5.166 -1.379 1.00 0.00 H new ATOM 323 N LEU A 745 -10.835 4.757 -2.006 1.00 0.00 N ATOM 324 CA LEU A 745 -11.589 4.141 -3.069 1.00 0.00 C ATOM 325 C LEU A 745 -12.831 3.391 -2.576 1.00 0.00 C ATOM 326 O LEU A 745 -13.064 2.235 -2.952 1.00 0.00 O ATOM 327 CB LEU A 745 -10.651 3.255 -3.936 1.00 0.00 C ATOM 328 CG LEU A 745 -9.575 2.392 -3.195 1.00 0.00 C ATOM 329 CD1 LEU A 745 -10.171 1.282 -2.343 1.00 0.00 C ATOM 330 CD2 LEU A 745 -8.581 1.815 -4.176 1.00 0.00 C ATOM 0 H LEU A 745 -10.320 4.093 -1.427 1.00 0.00 H new ATOM 0 HA LEU A 745 -11.986 4.936 -3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.275 2.581 -4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -10.132 3.905 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 745 -9.064 3.072 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.369 0.725 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -10.821 1.716 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.750 0.609 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -7.843 1.219 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -9.104 1.183 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -8.078 2.625 -4.704 1.00 0.00 H new ATOM 342 N LYS A 746 -13.579 3.998 -1.651 1.00 0.00 N ATOM 343 CA LYS A 746 -14.764 3.285 -1.092 1.00 0.00 C ATOM 344 C LYS A 746 -15.813 3.080 -2.173 1.00 0.00 C ATOM 345 O LYS A 746 -16.072 3.985 -2.988 1.00 0.00 O ATOM 346 CB LYS A 746 -15.470 3.984 0.113 1.00 0.00 C ATOM 347 CG LYS A 746 -14.690 4.173 1.436 1.00 0.00 C ATOM 348 CD LYS A 746 -15.689 4.557 2.547 1.00 0.00 C ATOM 349 CE LYS A 746 -15.068 4.714 3.929 1.00 0.00 C ATOM 350 NZ LYS A 746 -14.552 3.436 4.485 1.00 0.00 N ATOM 0 H LYS A 746 -13.411 4.933 -1.279 1.00 0.00 H new ATOM 0 HA LYS A 746 -14.352 2.347 -0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -15.792 4.970 -0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -16.371 3.415 0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -14.165 3.255 1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -13.934 4.950 1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -16.175 5.493 2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -16.468 3.796 2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -14.252 5.435 3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -15.812 5.126 4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -13.913 3.636 5.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -15.348 2.856 4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -14.033 2.920 3.746 1.00 0.00 H new ATOM 364 N GLY A 747 -16.450 1.935 -2.159 1.00 0.00 N ATOM 365 CA GLY A 747 -17.498 1.677 -3.116 1.00 0.00 C ATOM 366 C GLY A 747 -17.121 0.655 -4.153 1.00 0.00 C ATOM 367 O GLY A 747 -18.002 0.103 -4.838 1.00 0.00 O ATOM 0 H GLY A 747 -16.265 1.175 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -18.387 1.336 -2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -17.762 2.610 -3.615 1.00 0.00 H new ATOM 371 N LYS A 748 -15.837 0.386 -4.296 1.00 0.00 N ATOM 372 CA LYS A 748 -15.397 -0.579 -5.254 1.00 0.00 C ATOM 373 C LYS A 748 -15.035 -1.860 -4.558 1.00 0.00 C ATOM 374 O LYS A 748 -14.444 -1.855 -3.462 1.00 0.00 O ATOM 375 CB LYS A 748 -14.183 -0.095 -6.056 1.00 0.00 C ATOM 376 CG LYS A 748 -12.934 0.139 -5.202 1.00 0.00 C ATOM 377 CD LYS A 748 -11.674 0.327 -6.020 1.00 0.00 C ATOM 378 CE LYS A 748 -11.371 -0.906 -6.879 1.00 0.00 C ATOM 379 NZ LYS A 748 -10.143 -0.765 -7.673 1.00 0.00 N ATOM 0 H LYS A 748 -15.091 0.827 -3.757 1.00 0.00 H new ATOM 0 HA LYS A 748 -16.222 -0.736 -5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -13.952 -0.830 -6.828 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -14.442 0.833 -6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -13.089 1.020 -4.579 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -12.799 -0.708 -4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -11.783 1.201 -6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -10.833 0.523 -5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -11.281 -1.779 -6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -12.211 -1.091 -7.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -9.990 -1.628 -8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -10.235 0.050 -8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -9.334 -0.617 -7.037 1.00 0.00 H new ATOM 393 N GLY A 749 -15.297 -2.928 -5.202 1.00 0.00 N ATOM 394 CA GLY A 749 -14.930 -4.187 -4.657 1.00 0.00 C ATOM 395 C GLY A 749 -15.969 -5.224 -4.850 1.00 0.00 C ATOM 396 O GLY A 749 -16.921 -5.290 -4.075 1.00 0.00 O ATOM 0 H GLY A 749 -15.764 -2.964 -6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -14.001 -4.520 -5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -14.732 -4.072 -3.591 1.00 0.00 H new ATOM 400 N HIS A 750 -15.755 -6.112 -5.817 1.00 0.00 N ATOM 401 CA HIS A 750 -16.642 -7.259 -5.980 1.00 0.00 C ATOM 402 C HIS A 750 -16.339 -8.137 -4.802 1.00 0.00 C ATOM 403 O HIS A 750 -17.201 -8.445 -3.985 1.00 0.00 O ATOM 404 CB HIS A 750 -16.335 -8.051 -7.268 1.00 0.00 C ATOM 405 CG HIS A 750 -16.333 -7.256 -8.532 1.00 0.00 C ATOM 406 ND1 HIS A 750 -15.184 -7.019 -9.257 1.00 0.00 N ATOM 407 CD2 HIS A 750 -17.337 -6.667 -9.214 1.00 0.00 C ATOM 408 CE1 HIS A 750 -15.483 -6.315 -10.339 1.00 0.00 C ATOM 409 NE2 HIS A 750 -16.789 -6.086 -10.339 1.00 0.00 N ATOM 0 H HIS A 750 -14.989 -6.062 -6.489 1.00 0.00 H new ATOM 0 HA HIS A 750 -17.681 -6.937 -6.044 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -15.360 -8.525 -7.157 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -17.069 -8.851 -7.365 1.00 0.00 H new ATOM 0 HD1 HIS A 750 -14.249 -7.336 -9.000 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -18.379 -6.653 -8.931 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -14.783 -5.984 -11.092 1.00 0.00 H new ATOM 418 N THR A 751 -15.058 -8.398 -4.650 1.00 0.00 N ATOM 419 CA THR A 751 -14.525 -9.071 -3.529 1.00 0.00 C ATOM 420 C THR A 751 -13.264 -8.336 -3.038 1.00 0.00 C ATOM 421 O THR A 751 -12.519 -7.759 -3.840 1.00 0.00 O ATOM 422 CB THR A 751 -14.231 -10.515 -3.887 1.00 0.00 C ATOM 423 OG1 THR A 751 -13.515 -10.618 -5.117 1.00 0.00 O ATOM 424 CG2 THR A 751 -15.458 -11.405 -3.976 1.00 0.00 C ATOM 0 H THR A 751 -14.353 -8.131 -5.337 1.00 0.00 H new ATOM 0 HA THR A 751 -15.251 -9.073 -2.716 1.00 0.00 H new ATOM 0 HB THR A 751 -13.623 -10.872 -3.055 1.00 0.00 H new ATOM 0 HG1 THR A 751 -13.341 -11.562 -5.316 1.00 0.00 H new ATOM 0 HG21 THR A 751 -15.154 -12.419 -4.236 1.00 0.00 H new ATOM 0 HG22 THR A 751 -15.970 -11.416 -3.014 1.00 0.00 H new ATOM 0 HG23 THR A 751 -16.132 -11.020 -4.742 1.00 0.00 H new ATOM 432 N ASP A 752 -13.009 -8.403 -1.740 1.00 0.00 N ATOM 433 CA ASP A 752 -11.820 -7.812 -1.117 1.00 0.00 C ATOM 434 C ASP A 752 -10.560 -8.458 -1.594 1.00 0.00 C ATOM 435 O ASP A 752 -9.517 -7.824 -1.628 1.00 0.00 O ATOM 436 CB ASP A 752 -11.912 -7.780 0.409 1.00 0.00 C ATOM 437 CG ASP A 752 -12.947 -6.817 0.880 1.00 0.00 C ATOM 438 OD1 ASP A 752 -12.654 -5.617 0.972 1.00 0.00 O ATOM 439 OD2 ASP A 752 -14.075 -7.247 1.144 1.00 0.00 O ATOM 0 H ASP A 752 -13.625 -8.873 -1.077 1.00 0.00 H new ATOM 0 HA ASP A 752 -11.785 -6.772 -1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -12.148 -8.777 0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -10.943 -7.505 0.826 1.00 0.00 H new ATOM 444 N ALA A 753 -10.654 -9.739 -1.936 1.00 0.00 N ATOM 445 CA ALA A 753 -9.508 -10.513 -2.417 1.00 0.00 C ATOM 446 C ALA A 753 -8.878 -9.880 -3.664 1.00 0.00 C ATOM 447 O ALA A 753 -7.675 -9.923 -3.819 1.00 0.00 O ATOM 448 CB ALA A 753 -9.918 -11.952 -2.710 1.00 0.00 C ATOM 0 H ALA A 753 -11.523 -10.271 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 753 -8.758 -10.510 -1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -9.053 -12.511 -3.066 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -10.299 -12.414 -1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -10.695 -11.960 -3.474 1.00 0.00 H new ATOM 454 N GLU A 754 -9.690 -9.228 -4.499 1.00 0.00 N ATOM 455 CA GLU A 754 -9.184 -8.490 -5.681 1.00 0.00 C ATOM 456 C GLU A 754 -8.340 -7.291 -5.253 1.00 0.00 C ATOM 457 O GLU A 754 -7.335 -6.959 -5.886 1.00 0.00 O ATOM 458 CB GLU A 754 -10.335 -7.956 -6.507 1.00 0.00 C ATOM 459 CG GLU A 754 -11.271 -8.984 -7.069 1.00 0.00 C ATOM 460 CD GLU A 754 -12.417 -8.311 -7.702 1.00 0.00 C ATOM 461 OE1 GLU A 754 -13.328 -7.942 -6.978 1.00 0.00 O ATOM 462 OE2 GLU A 754 -12.384 -8.071 -8.915 1.00 0.00 O ATOM 0 H GLU A 754 -10.703 -9.190 -4.387 1.00 0.00 H new ATOM 0 HA GLU A 754 -8.584 -9.190 -6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -10.911 -7.267 -5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -9.925 -7.376 -7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -10.751 -9.604 -7.799 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -11.618 -9.647 -6.277 1.00 0.00 H new ATOM 469 N ILE A 755 -8.788 -6.635 -4.192 1.00 0.00 N ATOM 470 CA ILE A 755 -8.128 -5.452 -3.650 1.00 0.00 C ATOM 471 C ILE A 755 -6.831 -5.900 -2.973 1.00 0.00 C ATOM 472 O ILE A 755 -5.795 -5.245 -3.044 1.00 0.00 O ATOM 473 CB ILE A 755 -9.052 -4.717 -2.619 1.00 0.00 C ATOM 474 CG1 ILE A 755 -10.477 -4.541 -3.180 1.00 0.00 C ATOM 475 CG2 ILE A 755 -8.486 -3.339 -2.279 1.00 0.00 C ATOM 476 CD1 ILE A 755 -10.556 -3.664 -4.414 1.00 0.00 C ATOM 0 H ILE A 755 -9.625 -6.909 -3.678 1.00 0.00 H new ATOM 0 HA ILE A 755 -7.913 -4.750 -4.456 1.00 0.00 H new ATOM 0 HB ILE A 755 -9.092 -5.332 -1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -10.885 -5.523 -3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -11.111 -4.113 -2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -9.141 -2.844 -1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -7.492 -3.451 -1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -8.421 -2.738 -3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -11.592 -3.592 -4.744 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -10.181 -2.668 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -9.951 -4.100 -5.209 1.00 0.00 H new ATOM 488 N GLU A 756 -6.911 -7.037 -2.332 1.00 0.00 N ATOM 489 CA GLU A 756 -5.771 -7.636 -1.672 1.00 0.00 C ATOM 490 C GLU A 756 -4.743 -8.118 -2.732 1.00 0.00 C ATOM 491 O GLU A 756 -3.529 -8.065 -2.534 1.00 0.00 O ATOM 492 CB GLU A 756 -6.284 -8.799 -0.810 1.00 0.00 C ATOM 493 CG GLU A 756 -5.253 -9.434 0.093 1.00 0.00 C ATOM 494 CD GLU A 756 -5.793 -10.575 0.858 1.00 0.00 C ATOM 495 OE1 GLU A 756 -6.482 -10.344 1.854 1.00 0.00 O ATOM 496 OE2 GLU A 756 -5.520 -11.712 0.481 1.00 0.00 O ATOM 0 H GLU A 756 -7.771 -7.579 -2.250 1.00 0.00 H new ATOM 0 HA GLU A 756 -5.262 -6.913 -1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -7.109 -8.438 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -6.689 -9.567 -1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -4.408 -9.771 -0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -4.872 -8.684 0.786 1.00 0.00 H new ATOM 503 N ALA A 757 -5.252 -8.555 -3.862 1.00 0.00 N ATOM 504 CA ALA A 757 -4.426 -9.018 -4.969 1.00 0.00 C ATOM 505 C ALA A 757 -3.665 -7.871 -5.607 1.00 0.00 C ATOM 506 O ALA A 757 -2.484 -8.013 -5.938 1.00 0.00 O ATOM 507 CB ALA A 757 -5.267 -9.738 -6.018 1.00 0.00 C ATOM 0 H ALA A 757 -6.254 -8.602 -4.046 1.00 0.00 H new ATOM 0 HA ALA A 757 -3.703 -9.724 -4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -4.624 -10.073 -6.832 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -5.756 -10.600 -5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -6.023 -9.057 -6.409 1.00 0.00 H new ATOM 513 N ILE A 758 -4.354 -6.749 -5.826 1.00 0.00 N ATOM 514 CA ILE A 758 -3.745 -5.605 -6.486 1.00 0.00 C ATOM 515 C ILE A 758 -2.546 -5.034 -5.706 1.00 0.00 C ATOM 516 O ILE A 758 -1.552 -4.670 -6.330 1.00 0.00 O ATOM 517 CB ILE A 758 -4.821 -4.510 -6.959 1.00 0.00 C ATOM 518 CG1 ILE A 758 -4.214 -3.280 -7.694 1.00 0.00 C ATOM 519 CG2 ILE A 758 -5.692 -4.032 -5.824 1.00 0.00 C ATOM 520 CD1 ILE A 758 -3.615 -2.200 -6.787 1.00 0.00 C ATOM 0 H ILE A 758 -5.328 -6.614 -5.556 1.00 0.00 H new ATOM 0 HA ILE A 758 -3.312 -5.976 -7.415 1.00 0.00 H new ATOM 0 HB ILE A 758 -5.431 -5.048 -7.685 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -3.437 -3.631 -8.373 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -4.992 -2.825 -8.307 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -6.402 -3.293 -6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -6.236 -4.877 -5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -5.069 -3.580 -5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -3.220 -1.389 -7.399 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -4.388 -1.811 -6.124 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -2.810 -2.630 -6.192 1.00 0.00 H new ATOM 532 N PHE A 759 -2.596 -5.011 -4.347 1.00 0.00 N ATOM 533 CA PHE A 759 -1.440 -4.475 -3.583 1.00 0.00 C ATOM 534 C PHE A 759 -0.203 -5.266 -3.776 1.00 0.00 C ATOM 535 O PHE A 759 0.900 -4.747 -3.630 1.00 0.00 O ATOM 536 CB PHE A 759 -1.675 -4.259 -2.071 1.00 0.00 C ATOM 537 CG PHE A 759 -1.875 -5.458 -1.138 1.00 0.00 C ATOM 538 CD1 PHE A 759 -0.875 -6.406 -0.935 1.00 0.00 C ATOM 539 CD2 PHE A 759 -3.047 -5.589 -0.425 1.00 0.00 C ATOM 540 CE1 PHE A 759 -1.055 -7.454 -0.061 1.00 0.00 C ATOM 541 CE2 PHE A 759 -3.227 -6.630 0.460 1.00 0.00 C ATOM 542 CZ PHE A 759 -2.230 -7.566 0.638 1.00 0.00 C ATOM 0 H PHE A 759 -3.380 -5.339 -3.783 1.00 0.00 H new ATOM 0 HA PHE A 759 -1.316 -3.485 -4.021 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -0.825 -3.693 -1.690 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -2.553 -3.622 -1.969 1.00 0.00 H new ATOM 0 HD1 PHE A 759 0.058 -6.317 -1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -3.836 -4.865 -0.562 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -0.273 -8.186 0.074 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -4.150 -6.713 1.015 1.00 0.00 H new ATOM 0 HZ PHE A 759 -2.374 -8.386 1.326 1.00 0.00 H new ATOM 552 N THR A 760 -0.385 -6.538 -4.000 1.00 0.00 N ATOM 553 CA THR A 760 0.736 -7.437 -4.103 1.00 0.00 C ATOM 554 C THR A 760 1.676 -6.992 -5.256 1.00 0.00 C ATOM 555 O THR A 760 2.883 -6.856 -5.058 1.00 0.00 O ATOM 556 CB THR A 760 0.215 -8.875 -4.309 1.00 0.00 C ATOM 557 OG1 THR A 760 -0.737 -9.232 -3.292 1.00 0.00 O ATOM 558 CG2 THR A 760 1.298 -9.935 -4.272 1.00 0.00 C ATOM 0 H THR A 760 -1.298 -6.978 -4.115 1.00 0.00 H new ATOM 0 HA THR A 760 1.320 -7.413 -3.183 1.00 0.00 H new ATOM 0 HB THR A 760 -0.233 -8.857 -5.303 1.00 0.00 H new ATOM 0 HG1 THR A 760 -1.626 -8.907 -3.547 1.00 0.00 H new ATOM 0 HG21 THR A 760 0.851 -10.917 -4.424 1.00 0.00 H new ATOM 0 HG22 THR A 760 2.025 -9.741 -5.061 1.00 0.00 H new ATOM 0 HG23 THR A 760 1.798 -9.910 -3.304 1.00 0.00 H new ATOM 566 N LYS A 761 1.121 -6.719 -6.427 1.00 0.00 N ATOM 567 CA LYS A 761 1.947 -6.239 -7.536 1.00 0.00 C ATOM 568 C LYS A 761 1.980 -4.696 -7.694 1.00 0.00 C ATOM 569 O LYS A 761 3.011 -4.123 -8.032 1.00 0.00 O ATOM 570 CB LYS A 761 1.518 -6.894 -8.861 1.00 0.00 C ATOM 571 CG LYS A 761 1.569 -8.430 -8.859 1.00 0.00 C ATOM 572 CD LYS A 761 2.974 -8.949 -8.571 1.00 0.00 C ATOM 573 CE LYS A 761 3.033 -10.476 -8.601 1.00 0.00 C ATOM 574 NZ LYS A 761 4.390 -10.983 -8.289 1.00 0.00 N ATOM 0 H LYS A 761 0.128 -6.817 -6.637 1.00 0.00 H new ATOM 0 HA LYS A 761 2.964 -6.537 -7.282 1.00 0.00 H new ATOM 0 HB2 LYS A 761 0.502 -6.577 -9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 761 2.160 -6.523 -9.660 1.00 0.00 H new ATOM 0 HG2 LYS A 761 0.878 -8.816 -8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 761 1.233 -8.806 -9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 761 3.669 -8.544 -9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 761 3.300 -8.592 -7.594 1.00 0.00 H new ATOM 0 HE2 LYS A 761 2.320 -10.881 -7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 761 2.730 -10.832 -9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 4.388 -12.023 -8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 5.067 -10.617 -8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 4.669 -10.665 -7.339 1.00 0.00 H new ATOM 588 N TYR A 762 0.807 -4.079 -7.651 1.00 0.00 N ATOM 589 CA TYR A 762 0.651 -2.663 -8.055 1.00 0.00 C ATOM 590 C TYR A 762 0.692 -1.603 -6.959 1.00 0.00 C ATOM 591 O TYR A 762 0.533 -0.415 -7.289 1.00 0.00 O ATOM 592 CB TYR A 762 -0.637 -2.467 -8.856 1.00 0.00 C ATOM 593 CG TYR A 762 -0.726 -3.260 -10.132 1.00 0.00 C ATOM 594 CD1 TYR A 762 -0.188 -2.768 -11.305 1.00 0.00 C ATOM 595 CD2 TYR A 762 -1.357 -4.497 -10.169 1.00 0.00 C ATOM 596 CE1 TYR A 762 -0.273 -3.477 -12.477 1.00 0.00 C ATOM 597 CE2 TYR A 762 -1.447 -5.213 -11.338 1.00 0.00 C ATOM 598 CZ TYR A 762 -0.904 -4.698 -12.490 1.00 0.00 C ATOM 599 OH TYR A 762 -0.988 -5.406 -13.658 1.00 0.00 O ATOM 0 H TYR A 762 -0.057 -4.525 -7.343 1.00 0.00 H new ATOM 0 HA TYR A 762 1.550 -2.494 -8.647 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -1.484 -2.732 -8.223 1.00 0.00 H new ATOM 0 HB3 TYR A 762 -0.738 -1.409 -9.097 1.00 0.00 H new ATOM 0 HD1 TYR A 762 0.308 -1.809 -11.300 1.00 0.00 H new ATOM 0 HD2 TYR A 762 -1.784 -4.903 -9.264 1.00 0.00 H new ATOM 0 HE1 TYR A 762 0.154 -3.077 -13.385 1.00 0.00 H new ATOM 0 HE2 TYR A 762 -1.941 -6.173 -11.351 1.00 0.00 H new ATOM 0 HH TYR A 762 -1.463 -6.248 -13.497 1.00 0.00 H new ATOM 609 N ASP A 763 0.792 -1.962 -5.682 1.00 0.00 N ATOM 610 CA ASP A 763 0.711 -0.903 -4.645 1.00 0.00 C ATOM 611 C ASP A 763 1.866 0.084 -4.745 1.00 0.00 C ATOM 612 O ASP A 763 2.949 -0.264 -5.218 1.00 0.00 O ATOM 613 CB ASP A 763 0.604 -1.450 -3.223 1.00 0.00 C ATOM 614 CG ASP A 763 0.354 -0.354 -2.236 1.00 0.00 C ATOM 615 OD1 ASP A 763 -0.749 0.185 -2.243 1.00 0.00 O ATOM 616 OD2 ASP A 763 1.277 0.012 -1.509 1.00 0.00 O ATOM 0 H ASP A 763 0.922 -2.914 -5.340 1.00 0.00 H new ATOM 0 HA ASP A 763 -0.219 -0.373 -4.854 1.00 0.00 H new ATOM 0 HB2 ASP A 763 -0.204 -2.180 -3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 763 1.524 -1.974 -2.963 1.00 0.00 H new ATOM 621 N GLN A 764 1.599 1.316 -4.352 1.00 0.00 N ATOM 622 CA GLN A 764 2.555 2.406 -4.430 1.00 0.00 C ATOM 623 C GLN A 764 3.772 2.140 -3.534 1.00 0.00 C ATOM 624 O GLN A 764 4.917 2.362 -3.952 1.00 0.00 O ATOM 625 CB GLN A 764 1.851 3.724 -4.066 1.00 0.00 C ATOM 626 CG GLN A 764 2.637 4.986 -4.370 1.00 0.00 C ATOM 627 CD GLN A 764 1.824 6.224 -4.096 1.00 0.00 C ATOM 628 OE1 GLN A 764 1.853 6.767 -2.998 1.00 0.00 O ATOM 629 NE2 GLN A 764 1.073 6.665 -5.083 1.00 0.00 N ATOM 0 H GLN A 764 0.697 1.592 -3.963 1.00 0.00 H new ATOM 0 HA GLN A 764 2.932 2.484 -5.450 1.00 0.00 H new ATOM 0 HB2 GLN A 764 0.902 3.769 -4.601 1.00 0.00 H new ATOM 0 HB3 GLN A 764 1.617 3.709 -3.002 1.00 0.00 H new ATOM 0 HG2 GLN A 764 3.544 5.005 -3.766 1.00 0.00 H new ATOM 0 HG3 GLN A 764 2.949 4.978 -5.414 1.00 0.00 H new ATOM 0 HE21 GLN A 764 1.078 6.183 -5.982 1.00 0.00 H new ATOM 0 HE22 GLN A 764 0.486 7.488 -4.949 1.00 0.00 H new ATOM 638 N ASP A 765 3.541 1.609 -2.339 1.00 0.00 N ATOM 639 CA ASP A 765 4.651 1.237 -1.468 1.00 0.00 C ATOM 640 C ASP A 765 4.830 -0.258 -1.422 1.00 0.00 C ATOM 641 O ASP A 765 5.752 -0.765 -0.771 1.00 0.00 O ATOM 642 CB ASP A 765 4.439 1.750 -0.044 1.00 0.00 C ATOM 643 CG ASP A 765 4.732 3.189 0.104 1.00 0.00 C ATOM 644 OD1 ASP A 765 5.906 3.529 0.227 1.00 0.00 O ATOM 645 OD2 ASP A 765 3.807 4.004 0.131 1.00 0.00 O ATOM 0 H ASP A 765 2.613 1.429 -1.955 1.00 0.00 H new ATOM 0 HA ASP A 765 5.546 1.698 -1.887 1.00 0.00 H new ATOM 0 HB2 ASP A 765 3.407 1.563 0.253 1.00 0.00 H new ATOM 0 HB3 ASP A 765 5.074 1.184 0.638 1.00 0.00 H new ATOM 650 N GLY A 766 3.932 -0.970 -2.064 1.00 0.00 N ATOM 651 CA GLY A 766 3.952 -2.411 -2.009 1.00 0.00 C ATOM 652 C GLY A 766 3.355 -2.895 -0.708 1.00 0.00 C ATOM 653 O GLY A 766 3.657 -4.000 -0.248 1.00 0.00 O ATOM 0 H GLY A 766 3.181 -0.574 -2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 766 3.392 -2.821 -2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 766 4.977 -2.771 -2.103 1.00 0.00 H new ATOM 657 N ASP A 767 2.512 -2.062 -0.105 1.00 0.00 N ATOM 658 CA ASP A 767 1.876 -2.386 1.143 1.00 0.00 C ATOM 659 C ASP A 767 0.381 -2.401 1.053 1.00 0.00 C ATOM 660 O ASP A 767 -0.197 -3.476 0.974 1.00 0.00 O ATOM 661 CB ASP A 767 2.323 -1.481 2.291 1.00 0.00 C ATOM 662 CG ASP A 767 3.634 -1.881 2.860 1.00 0.00 C ATOM 663 OD1 ASP A 767 3.673 -2.870 3.612 1.00 0.00 O ATOM 664 OD2 ASP A 767 4.633 -1.209 2.589 1.00 0.00 O ATOM 0 H ASP A 767 2.258 -1.147 -0.477 1.00 0.00 H new ATOM 0 HA ASP A 767 2.207 -3.400 1.366 1.00 0.00 H new ATOM 0 HB2 ASP A 767 2.385 -0.453 1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 767 1.569 -1.500 3.078 1.00 0.00 H new ATOM 669 N GLN A 768 -0.249 -1.198 1.160 1.00 0.00 N ATOM 670 CA GLN A 768 -1.728 -1.075 1.224 1.00 0.00 C ATOM 671 C GLN A 768 -2.246 -1.986 2.366 1.00 0.00 C ATOM 672 O GLN A 768 -2.879 -3.018 2.131 1.00 0.00 O ATOM 673 CB GLN A 768 -2.369 -1.454 -0.111 1.00 0.00 C ATOM 674 CG GLN A 768 -3.866 -1.530 -0.067 1.00 0.00 C ATOM 675 CD GLN A 768 -4.399 -2.368 -1.168 1.00 0.00 C ATOM 676 OE1 GLN A 768 -3.911 -2.343 -2.286 1.00 0.00 O ATOM 677 NE2 GLN A 768 -5.312 -3.210 -0.820 1.00 0.00 N ATOM 0 H GLN A 768 0.244 -0.306 1.203 1.00 0.00 H new ATOM 0 HA GLN A 768 -2.001 -0.039 1.427 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -2.074 -0.724 -0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -1.975 -2.419 -0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -4.183 -1.942 0.891 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -4.285 -0.526 -0.137 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -5.689 -3.191 0.128 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -5.657 -3.895 -1.492 1.00 0.00 H new ATOM 686 N GLU A 769 -2.035 -1.507 3.593 1.00 0.00 N ATOM 687 CA GLU A 769 -2.395 -2.141 4.906 1.00 0.00 C ATOM 688 C GLU A 769 -1.440 -1.692 6.047 1.00 0.00 C ATOM 689 O GLU A 769 -1.431 -2.278 7.118 1.00 0.00 O ATOM 690 CB GLU A 769 -2.602 -3.676 4.920 1.00 0.00 C ATOM 691 CG GLU A 769 -1.518 -4.527 4.290 1.00 0.00 C ATOM 692 CD GLU A 769 -1.616 -5.945 4.699 1.00 0.00 C ATOM 693 OE1 GLU A 769 -1.689 -6.201 5.905 1.00 0.00 O ATOM 694 OE2 GLU A 769 -1.616 -6.813 3.834 1.00 0.00 O ATOM 0 H GLU A 769 -1.578 -0.605 3.728 1.00 0.00 H new ATOM 0 HA GLU A 769 -3.397 -1.752 5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -2.719 -3.992 5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -3.541 -3.895 4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -1.588 -4.458 3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -0.541 -4.136 4.572 1.00 0.00 H new ATOM 701 N LEU A 770 -0.780 -0.526 5.862 1.00 0.00 N ATOM 702 CA LEU A 770 0.010 0.095 6.930 1.00 0.00 C ATOM 703 C LEU A 770 -0.653 1.354 7.482 1.00 0.00 C ATOM 704 O LEU A 770 -1.012 2.311 6.727 1.00 0.00 O ATOM 705 CB LEU A 770 1.436 0.428 6.510 1.00 0.00 C ATOM 706 CG LEU A 770 2.357 -0.751 6.260 1.00 0.00 C ATOM 707 CD1 LEU A 770 3.746 -0.260 5.934 1.00 0.00 C ATOM 708 CD2 LEU A 770 2.402 -1.663 7.466 1.00 0.00 C ATOM 0 H LEU A 770 -0.783 -0.005 4.985 1.00 0.00 H new ATOM 0 HA LEU A 770 0.055 -0.661 7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 770 1.393 1.027 5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 770 1.883 1.053 7.283 1.00 0.00 H new ATOM 0 HG LEU A 770 1.968 -1.318 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 770 4.401 -1.113 5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 770 3.711 0.364 5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 770 4.131 0.325 6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 770 3.069 -2.501 7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 770 2.769 -1.107 8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 770 1.400 -2.038 7.676 1.00 0.00 H new ATOM 720 N THR A 771 -0.739 1.361 8.788 1.00 0.00 N ATOM 721 CA THR A 771 -1.297 2.412 9.593 1.00 0.00 C ATOM 722 C THR A 771 -0.187 3.345 10.033 1.00 0.00 C ATOM 723 O THR A 771 0.982 3.060 9.801 1.00 0.00 O ATOM 724 CB THR A 771 -1.949 1.799 10.840 1.00 0.00 C ATOM 725 OG1 THR A 771 -0.994 1.077 11.595 1.00 0.00 O ATOM 726 CG2 THR A 771 -3.082 0.859 10.546 1.00 0.00 C ATOM 0 H THR A 771 -0.399 0.582 9.351 1.00 0.00 H new ATOM 0 HA THR A 771 -2.040 2.962 9.014 1.00 0.00 H new ATOM 0 HB THR A 771 -2.348 2.652 11.389 1.00 0.00 H new ATOM 0 HG1 THR A 771 -1.425 0.694 12.387 1.00 0.00 H new ATOM 0 HG21 THR A 771 -3.485 0.471 11.482 1.00 0.00 H new ATOM 0 HG22 THR A 771 -3.865 1.391 10.006 1.00 0.00 H new ATOM 0 HG23 THR A 771 -2.719 0.031 9.937 1.00 0.00 H new