USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=10 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 737 ASN :FLIP amide:sc= -2.04! C(o=-9.2!,f=-4.3!) USER MOD Set 1.2: A 771 THR OG1 : rot 165:sc= -2.21! USER MOD Single : A 731 GLN : amide:sc= -9.12! C(o=-9.1!,f=-10!) USER MOD Single : A 735 LYS NZ :NH3+ -145:sc= 1.25 (180deg=1.18) USER MOD Single : A 743 GLN : amide:sc= -6.82! C(o=-6.8!,f=-13!) USER MOD Single : A 746 LYS NZ :NH3+ -176:sc= -0.962 (180deg=-1.17) USER MOD Single : A 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 750 HIS : no HE2:sc= 0.824 K(o=0.82,f=-3!) USER MOD Single : A 751 THR OG1 : rot 180:sc= 0 USER MOD Single : A 760 THR OG1 : rot 180:sc= 0 USER MOD Single : A 761 LYS NZ :NH3+ 136:sc= -2.1! (180deg=-4.04!) USER MOD Single : A 762 TYR OH : rot 180:sc= 0 USER MOD Single : A 764 GLN : amide:sc= -1.87! X(o=-1.9!,f=-2) USER MOD Single : A 768 GLN :FLIP amide:sc= -2.66! C(o=-6.7!,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 68 N LEU A 729 -9.560 11.393 3.675 1.00 0.00 N ATOM 69 CA LEU A 729 -9.537 11.636 5.122 1.00 0.00 C ATOM 70 C LEU A 729 -8.218 11.103 5.686 1.00 0.00 C ATOM 71 O LEU A 729 -7.177 11.654 5.395 1.00 0.00 O ATOM 72 CB LEU A 729 -10.764 11.030 5.847 1.00 0.00 C ATOM 73 CG LEU A 729 -10.951 11.418 7.317 1.00 0.00 C ATOM 74 CD1 LEU A 729 -11.064 12.922 7.468 1.00 0.00 C ATOM 75 CD2 LEU A 729 -12.184 10.758 7.871 1.00 0.00 C ATOM 0 HA LEU A 729 -9.601 12.710 5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 729 -11.661 11.321 5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 729 -10.693 9.944 5.787 1.00 0.00 H new ATOM 0 HG LEU A 729 -10.077 11.078 7.873 1.00 0.00 H new ATOM 0 HD11 LEU A 729 -11.196 13.173 8.520 1.00 0.00 H new ATOM 0 HD12 LEU A 729 -10.156 13.395 7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 729 -11.921 13.281 6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 729 -12.309 11.040 8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 729 -13.056 11.080 7.302 1.00 0.00 H new ATOM 0 HD23 LEU A 729 -12.082 9.675 7.797 1.00 0.00 H new ATOM 87 N ARG A 730 -8.268 10.001 6.440 1.00 0.00 N ATOM 88 CA ARG A 730 -7.094 9.352 7.012 1.00 0.00 C ATOM 89 C ARG A 730 -6.294 8.696 5.899 1.00 0.00 C ATOM 90 O ARG A 730 -5.066 8.744 5.849 1.00 0.00 O ATOM 91 CB ARG A 730 -7.543 8.237 7.958 1.00 0.00 C ATOM 92 CG ARG A 730 -8.936 8.392 8.550 1.00 0.00 C ATOM 93 CD ARG A 730 -9.267 7.231 9.485 1.00 0.00 C ATOM 94 NE ARG A 730 -10.630 7.312 10.020 1.00 0.00 N ATOM 95 CZ ARG A 730 -11.303 6.269 10.527 1.00 0.00 C ATOM 96 NH1 ARG A 730 -10.772 5.048 10.473 1.00 0.00 N ATOM 97 NH2 ARG A 730 -12.514 6.449 11.039 1.00 0.00 N ATOM 0 H ARG A 730 -9.143 9.530 6.672 1.00 0.00 H new ATOM 0 HA ARG A 730 -6.498 10.097 7.539 1.00 0.00 H new ATOM 0 HB2 ARG A 730 -7.501 7.290 7.419 1.00 0.00 H new ATOM 0 HB3 ARG A 730 -6.826 8.170 8.776 1.00 0.00 H new ATOM 0 HG2 ARG A 730 -9.000 9.333 9.096 1.00 0.00 H new ATOM 0 HG3 ARG A 730 -9.673 8.439 7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 730 -9.146 6.290 8.948 1.00 0.00 H new ATOM 0 HD3 ARG A 730 -8.556 7.220 10.311 1.00 0.00 H new ATOM 0 HE ARG A 730 -11.096 8.219 10.006 1.00 0.00 H new ATOM 0 HH11 ARG A 730 -9.856 4.909 10.047 1.00 0.00 H new ATOM 0 HH12 ARG A 730 -11.282 4.253 10.858 1.00 0.00 H new ATOM 0 HH21 ARG A 730 -12.931 7.380 11.046 1.00 0.00 H new ATOM 0 HH22 ARG A 730 -13.027 5.657 11.425 1.00 0.00 H new ATOM 111 N GLN A 731 -7.037 8.043 5.029 1.00 0.00 N ATOM 112 CA GLN A 731 -6.495 7.290 3.897 1.00 0.00 C ATOM 113 C GLN A 731 -5.937 8.245 2.867 1.00 0.00 C ATOM 114 O GLN A 731 -4.943 7.972 2.210 1.00 0.00 O ATOM 115 CB GLN A 731 -7.611 6.425 3.306 1.00 0.00 C ATOM 116 CG GLN A 731 -7.183 5.388 2.269 1.00 0.00 C ATOM 117 CD GLN A 731 -6.065 4.482 2.738 1.00 0.00 C ATOM 118 OE1 GLN A 731 -5.264 4.006 1.958 1.00 0.00 O ATOM 119 NE2 GLN A 731 -6.025 4.222 4.014 1.00 0.00 N ATOM 0 H GLN A 731 -8.055 8.015 5.083 1.00 0.00 H new ATOM 0 HA GLN A 731 -5.682 6.643 4.225 1.00 0.00 H new ATOM 0 HB2 GLN A 731 -8.111 5.906 4.123 1.00 0.00 H new ATOM 0 HB3 GLN A 731 -8.349 7.084 2.848 1.00 0.00 H new ATOM 0 HG2 GLN A 731 -8.045 4.777 2.002 1.00 0.00 H new ATOM 0 HG3 GLN A 731 -6.865 5.904 1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 731 -6.713 4.639 4.641 1.00 0.00 H new ATOM 0 HE22 GLN A 731 -5.306 3.602 4.386 1.00 0.00 H new ATOM 128 N GLY A 732 -6.539 9.397 2.811 1.00 0.00 N ATOM 129 CA GLY A 732 -6.053 10.440 1.953 1.00 0.00 C ATOM 130 C GLY A 732 -5.134 11.358 2.711 1.00 0.00 C ATOM 131 O GLY A 732 -4.751 12.415 2.213 1.00 0.00 O ATOM 0 H GLY A 732 -7.370 9.639 3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 732 -5.524 10.005 1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 732 -6.891 11.007 1.549 1.00 0.00 H new ATOM 135 N GLY A 733 -4.813 10.972 3.933 1.00 0.00 N ATOM 136 CA GLY A 733 -3.949 11.772 4.762 1.00 0.00 C ATOM 137 C GLY A 733 -2.548 11.291 4.712 1.00 0.00 C ATOM 138 O GLY A 733 -1.643 12.028 4.329 1.00 0.00 O ATOM 0 H GLY A 733 -5.141 10.109 4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 733 -3.990 12.811 4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 733 -4.306 11.748 5.791 1.00 0.00 H new ATOM 142 N GLY A 734 -2.360 10.056 5.082 1.00 0.00 N ATOM 143 CA GLY A 734 -1.036 9.488 5.062 1.00 0.00 C ATOM 144 C GLY A 734 -0.975 8.062 5.547 1.00 0.00 C ATOM 145 O GLY A 734 0.118 7.529 5.761 1.00 0.00 O ATOM 0 H GLY A 734 -3.097 9.426 5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 734 -0.648 9.532 4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 734 -0.379 10.100 5.680 1.00 0.00 H new ATOM 149 N LYS A 735 -2.119 7.423 5.718 1.00 0.00 N ATOM 150 CA LYS A 735 -2.158 6.069 6.157 1.00 0.00 C ATOM 151 C LYS A 735 -2.750 5.275 5.029 1.00 0.00 C ATOM 152 O LYS A 735 -3.760 5.676 4.499 1.00 0.00 O ATOM 153 CB LYS A 735 -3.093 6.055 7.367 1.00 0.00 C ATOM 154 CG LYS A 735 -3.461 4.716 7.977 1.00 0.00 C ATOM 155 CD LYS A 735 -4.705 4.898 8.836 1.00 0.00 C ATOM 156 CE LYS A 735 -5.171 3.586 9.488 1.00 0.00 C ATOM 157 NZ LYS A 735 -6.382 3.750 10.330 1.00 0.00 N ATOM 0 H LYS A 735 -3.035 7.840 5.553 1.00 0.00 H new ATOM 0 HA LYS A 735 -1.184 5.658 6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 735 -2.634 6.661 8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 735 -4.018 6.554 7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 735 -3.647 3.982 7.193 1.00 0.00 H new ATOM 0 HG3 LYS A 735 -2.637 4.336 8.581 1.00 0.00 H new ATOM 0 HD2 LYS A 735 -4.500 5.633 9.614 1.00 0.00 H new ATOM 0 HD3 LYS A 735 -5.511 5.300 8.222 1.00 0.00 H new ATOM 0 HE2 LYS A 735 -5.375 2.853 8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 735 -4.363 3.184 10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 -6.325 3.111 11.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 -6.444 4.734 10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 -7.228 3.520 9.770 1.00 0.00 H new ATOM 171 N LEU A 736 -2.175 4.132 4.698 1.00 0.00 N ATOM 172 CA LEU A 736 -2.759 3.274 3.666 1.00 0.00 C ATOM 173 C LEU A 736 -2.975 1.927 4.253 1.00 0.00 C ATOM 174 O LEU A 736 -2.073 1.352 4.828 1.00 0.00 O ATOM 175 CB LEU A 736 -1.850 3.141 2.422 1.00 0.00 C ATOM 176 CG LEU A 736 -1.785 4.335 1.428 1.00 0.00 C ATOM 177 CD1 LEU A 736 -1.164 5.579 2.031 1.00 0.00 C ATOM 178 CD2 LEU A 736 -1.028 3.936 0.185 1.00 0.00 C ATOM 0 H LEU A 736 -1.317 3.775 5.118 1.00 0.00 H new ATOM 0 HA LEU A 736 -3.695 3.726 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -0.836 2.942 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -2.174 2.262 1.865 1.00 0.00 H new ATOM 0 HG LEU A 736 -2.815 4.585 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -1.148 6.375 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -1.752 5.898 2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -0.145 5.359 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -0.989 4.780 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -0.014 3.641 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -1.533 3.098 -0.296 1.00 0.00 H new ATOM 190 N ASN A 737 -4.147 1.387 4.122 1.00 0.00 N ATOM 191 CA ASN A 737 -4.414 0.061 4.708 1.00 0.00 C ATOM 192 C ASN A 737 -5.164 -0.732 3.739 1.00 0.00 C ATOM 193 O ASN A 737 -5.648 -0.180 2.911 1.00 0.00 O ATOM 194 CB ASN A 737 -5.224 0.084 6.041 1.00 0.00 C ATOM 195 CG ASN A 737 -4.620 0.729 7.249 1.00 0.00 C ATOM 196 OD1 ASN A 737 -3.753 1.606 7.092 1.00 0.00 O flip ATOM 197 ND2 ASN A 737 -4.949 0.374 8.352 1.00 0.00 N flip ATOM 0 H ASN A 737 -4.933 1.812 3.631 1.00 0.00 H new ATOM 0 HA ASN A 737 -3.439 -0.364 4.945 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -6.172 0.584 5.841 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -5.457 -0.948 6.302 1.00 0.00 H new ATOM 0 HD21 ASN A 737 -5.662 -0.347 8.464 1.00 0.00 H new ATOM 0 HD22 ASN A 737 -4.515 0.794 9.174 1.00 0.00 H new ATOM 204 N PHE A 738 -5.278 -2.049 3.846 1.00 0.00 N ATOM 205 CA PHE A 738 -6.172 -2.724 2.888 1.00 0.00 C ATOM 206 C PHE A 738 -7.589 -2.284 3.209 1.00 0.00 C ATOM 207 O PHE A 738 -8.278 -1.683 2.390 1.00 0.00 O ATOM 208 CB PHE A 738 -6.094 -4.280 2.908 1.00 0.00 C ATOM 209 CG PHE A 738 -7.063 -4.886 1.903 1.00 0.00 C ATOM 210 CD1 PHE A 738 -6.693 -5.043 0.588 1.00 0.00 C ATOM 211 CD2 PHE A 738 -8.367 -5.215 2.264 1.00 0.00 C ATOM 212 CE1 PHE A 738 -7.577 -5.520 -0.348 1.00 0.00 C ATOM 213 CE2 PHE A 738 -9.262 -5.675 1.324 1.00 0.00 C ATOM 214 CZ PHE A 738 -8.862 -5.826 0.016 1.00 0.00 C ATOM 0 H PHE A 738 -4.807 -2.643 4.528 1.00 0.00 H new ATOM 0 HA PHE A 738 -5.855 -2.436 1.886 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -5.078 -4.600 2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -6.325 -4.647 3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -5.688 -4.786 0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -8.680 -5.108 3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -7.259 -5.654 -1.372 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -10.274 -5.916 1.612 1.00 0.00 H new ATOM 0 HZ PHE A 738 -9.561 -6.186 -0.724 1.00 0.00 H new ATOM 224 N ASP A 739 -7.963 -2.541 4.439 1.00 0.00 N ATOM 225 CA ASP A 739 -9.251 -2.181 4.991 1.00 0.00 C ATOM 226 C ASP A 739 -9.455 -0.654 5.052 1.00 0.00 C ATOM 227 O ASP A 739 -10.558 -0.164 4.844 1.00 0.00 O ATOM 228 CB ASP A 739 -9.360 -2.787 6.394 1.00 0.00 C ATOM 229 CG ASP A 739 -10.676 -2.555 7.041 1.00 0.00 C ATOM 230 OD1 ASP A 739 -10.850 -1.508 7.673 1.00 0.00 O ATOM 231 OD2 ASP A 739 -11.541 -3.432 6.940 1.00 0.00 O ATOM 0 H ASP A 739 -7.361 -3.022 5.107 1.00 0.00 H new ATOM 0 HA ASP A 739 -10.031 -2.574 4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -9.179 -3.860 6.332 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -8.576 -2.367 7.024 1.00 0.00 H new ATOM 236 N GLU A 740 -8.379 0.094 5.308 1.00 0.00 N ATOM 237 CA GLU A 740 -8.484 1.566 5.369 1.00 0.00 C ATOM 238 C GLU A 740 -8.413 2.125 3.981 1.00 0.00 C ATOM 239 O GLU A 740 -8.964 3.156 3.722 1.00 0.00 O ATOM 240 CB GLU A 740 -7.455 2.241 6.315 1.00 0.00 C ATOM 241 CG GLU A 740 -7.805 3.639 6.798 1.00 0.00 C ATOM 242 CD GLU A 740 -8.919 3.647 7.794 1.00 0.00 C ATOM 243 OE1 GLU A 740 -10.032 3.262 7.453 1.00 0.00 O ATOM 244 OE2 GLU A 740 -8.664 4.013 8.942 1.00 0.00 O ATOM 0 H GLU A 740 -7.444 -0.277 5.474 1.00 0.00 H new ATOM 0 HA GLU A 740 -9.452 1.800 5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -7.320 1.601 7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -6.495 2.286 5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 740 -6.922 4.096 7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 740 -8.084 4.254 5.943 1.00 0.00 H new ATOM 251 N LEU A 741 -7.697 1.423 3.062 1.00 0.00 N ATOM 252 CA LEU A 741 -7.576 1.906 1.614 1.00 0.00 C ATOM 253 C LEU A 741 -8.931 2.126 0.972 1.00 0.00 C ATOM 254 O LEU A 741 -9.069 2.905 0.039 1.00 0.00 O ATOM 255 CB LEU A 741 -6.867 0.885 0.734 1.00 0.00 C ATOM 256 CG LEU A 741 -6.790 1.190 -0.778 1.00 0.00 C ATOM 257 CD1 LEU A 741 -5.814 2.317 -1.070 1.00 0.00 C ATOM 258 CD2 LEU A 741 -6.462 -0.034 -1.593 1.00 0.00 C ATOM 0 H LEU A 741 -7.204 0.553 3.262 1.00 0.00 H new ATOM 0 HA LEU A 741 -7.013 2.838 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.850 0.766 1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.367 -0.075 0.860 1.00 0.00 H new ATOM 0 HG LEU A 741 -7.784 1.519 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -5.785 2.505 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -6.136 3.220 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -4.819 2.036 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -6.419 0.233 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -5.497 -0.432 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -7.232 -0.790 -1.441 1.00 0.00 H new ATOM 270 N ARG A 742 -9.910 1.412 1.449 1.00 0.00 N ATOM 271 CA ARG A 742 -11.232 1.450 0.949 1.00 0.00 C ATOM 272 C ARG A 742 -11.752 2.765 1.100 1.00 0.00 C ATOM 273 O ARG A 742 -12.347 3.204 0.254 1.00 0.00 O ATOM 274 CB ARG A 742 -12.095 0.445 1.667 1.00 0.00 C ATOM 275 CG ARG A 742 -11.395 -0.852 1.724 1.00 0.00 C ATOM 276 CD ARG A 742 -11.206 -1.432 0.309 1.00 0.00 C ATOM 277 NE ARG A 742 -12.374 -2.220 -0.135 1.00 0.00 N ATOM 278 CZ ARG A 742 -13.123 -2.025 -1.253 1.00 0.00 C ATOM 279 NH1 ARG A 742 -12.952 -0.946 -2.036 1.00 0.00 N ATOM 280 NH2 ARG A 742 -14.054 -2.913 -1.567 1.00 0.00 N ATOM 0 H ARG A 742 -9.792 0.765 2.229 1.00 0.00 H new ATOM 0 HA ARG A 742 -11.228 1.189 -0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -12.317 0.795 2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -13.048 0.333 1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -10.424 -0.726 2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -11.964 -1.552 2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -11.031 -0.618 -0.394 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -10.318 -2.063 0.293 1.00 0.00 H new ATOM 0 HE ARG A 742 -12.650 -2.998 0.465 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -12.247 -0.249 -1.797 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -13.528 -0.824 -2.869 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -14.201 -3.729 -0.973 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -14.624 -2.781 -2.402 1.00 0.00 H new ATOM 294 N GLN A 743 -11.364 3.433 2.148 1.00 0.00 N ATOM 295 CA GLN A 743 -11.788 4.816 2.427 1.00 0.00 C ATOM 296 C GLN A 743 -11.505 5.738 1.282 1.00 0.00 C ATOM 297 O GLN A 743 -12.245 6.706 1.029 1.00 0.00 O ATOM 298 CB GLN A 743 -10.988 5.281 3.544 1.00 0.00 C ATOM 299 CG GLN A 743 -11.314 6.673 4.040 1.00 0.00 C ATOM 300 CD GLN A 743 -10.728 6.876 5.364 1.00 0.00 C ATOM 301 OE1 GLN A 743 -10.314 7.968 5.720 1.00 0.00 O ATOM 302 NE2 GLN A 743 -10.734 5.831 6.124 1.00 0.00 N ATOM 0 H GLN A 743 -10.737 3.047 2.854 1.00 0.00 H new ATOM 0 HA GLN A 743 -12.861 4.818 2.619 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -11.108 4.581 4.371 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -9.938 5.254 3.253 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -10.928 7.417 3.343 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -12.395 6.809 4.086 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -11.093 4.945 5.770 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -10.379 5.892 7.078 1.00 0.00 H new ATOM 311 N ASP A 744 -10.462 5.421 0.576 1.00 0.00 N ATOM 312 CA ASP A 744 -10.080 6.197 -0.587 1.00 0.00 C ATOM 313 C ASP A 744 -10.984 5.853 -1.739 1.00 0.00 C ATOM 314 O ASP A 744 -11.591 6.725 -2.375 1.00 0.00 O ATOM 315 CB ASP A 744 -8.679 5.853 -0.981 1.00 0.00 C ATOM 316 CG ASP A 744 -7.959 7.004 -1.558 1.00 0.00 C ATOM 317 OD1 ASP A 744 -7.453 7.814 -0.782 1.00 0.00 O ATOM 318 OD2 ASP A 744 -7.910 7.129 -2.782 1.00 0.00 O ATOM 0 H ASP A 744 -9.852 4.629 0.778 1.00 0.00 H new ATOM 0 HA ASP A 744 -10.157 7.257 -0.345 1.00 0.00 H new ATOM 0 HB2 ASP A 744 -8.137 5.490 -0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 744 -8.698 5.039 -1.706 1.00 0.00 H new ATOM 323 N LEU A 745 -11.022 4.581 -2.035 1.00 0.00 N ATOM 324 CA LEU A 745 -11.763 4.068 -3.152 1.00 0.00 C ATOM 325 C LEU A 745 -13.032 3.295 -2.765 1.00 0.00 C ATOM 326 O LEU A 745 -13.275 2.193 -3.281 1.00 0.00 O ATOM 327 CB LEU A 745 -10.818 3.265 -4.089 1.00 0.00 C ATOM 328 CG LEU A 745 -9.738 2.353 -3.431 1.00 0.00 C ATOM 329 CD1 LEU A 745 -10.325 1.213 -2.629 1.00 0.00 C ATOM 330 CD2 LEU A 745 -8.793 1.816 -4.481 1.00 0.00 C ATOM 0 H LEU A 745 -10.532 3.864 -1.499 1.00 0.00 H new ATOM 0 HA LEU A 745 -12.148 4.925 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.437 2.639 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -10.305 3.977 -4.736 1.00 0.00 H new ATOM 0 HG LEU A 745 -9.192 2.982 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.519 0.618 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -10.947 1.614 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.932 0.584 -3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -8.045 1.181 -4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -9.354 1.232 -5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -8.298 2.647 -4.984 1.00 0.00 H new ATOM 342 N LYS A 746 -13.788 3.807 -1.780 1.00 0.00 N ATOM 343 CA LYS A 746 -14.993 3.075 -1.302 1.00 0.00 C ATOM 344 C LYS A 746 -16.009 2.949 -2.435 1.00 0.00 C ATOM 345 O LYS A 746 -16.306 3.930 -3.128 1.00 0.00 O ATOM 346 CB LYS A 746 -15.689 3.726 -0.063 1.00 0.00 C ATOM 347 CG LYS A 746 -14.812 3.960 1.192 1.00 0.00 C ATOM 348 CD LYS A 746 -15.625 4.297 2.455 1.00 0.00 C ATOM 349 CE LYS A 746 -16.110 3.051 3.220 1.00 0.00 C ATOM 350 NZ LYS A 746 -16.905 2.120 2.387 1.00 0.00 N ATOM 0 H LYS A 746 -13.604 4.692 -1.308 1.00 0.00 H new ATOM 0 HA LYS A 746 -14.636 2.096 -0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -16.102 4.686 -0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -16.530 3.095 0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -14.216 3.067 1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -14.114 4.773 0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -15.014 4.907 3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -16.488 4.900 2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -15.246 2.521 3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -16.712 3.368 4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -17.256 1.339 2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -17.711 2.629 1.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -16.307 1.737 1.627 1.00 0.00 H new ATOM 364 N GLY A 747 -16.501 1.752 -2.651 1.00 0.00 N ATOM 365 CA GLY A 747 -17.438 1.524 -3.733 1.00 0.00 C ATOM 366 C GLY A 747 -16.765 0.899 -4.926 1.00 0.00 C ATOM 367 O GLY A 747 -17.402 0.198 -5.713 1.00 0.00 O ATOM 0 H GLY A 747 -16.273 0.925 -2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -18.243 0.875 -3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -17.894 2.470 -4.026 1.00 0.00 H new ATOM 371 N LYS A 748 -15.465 1.113 -5.034 1.00 0.00 N ATOM 372 CA LYS A 748 -14.678 0.563 -6.087 1.00 0.00 C ATOM 373 C LYS A 748 -14.386 -0.888 -5.802 1.00 0.00 C ATOM 374 O LYS A 748 -14.079 -1.276 -4.653 1.00 0.00 O ATOM 375 CB LYS A 748 -13.378 1.411 -6.282 1.00 0.00 C ATOM 376 CG LYS A 748 -12.349 0.898 -7.315 1.00 0.00 C ATOM 377 CD LYS A 748 -11.465 -0.232 -6.756 1.00 0.00 C ATOM 378 CE LYS A 748 -10.644 -0.897 -7.855 1.00 0.00 C ATOM 379 NZ LYS A 748 -9.640 0.036 -8.440 1.00 0.00 N ATOM 0 H LYS A 748 -14.934 1.683 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 748 -15.230 0.603 -7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -13.673 2.420 -6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -12.878 1.489 -5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -12.875 0.539 -8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -11.716 1.726 -7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -10.797 0.171 -5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -12.092 -0.978 -6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -10.134 -1.771 -7.449 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -11.310 -1.253 -8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -9.102 -0.454 -9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -10.128 0.858 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -8.988 0.356 -7.695 1.00 0.00 H new ATOM 393 N GLY A 749 -14.449 -1.659 -6.844 1.00 0.00 N ATOM 394 CA GLY A 749 -14.169 -3.061 -6.770 1.00 0.00 C ATOM 395 C GLY A 749 -15.415 -3.860 -6.670 1.00 0.00 C ATOM 396 O GLY A 749 -16.313 -3.517 -5.900 1.00 0.00 O ATOM 0 H GLY A 749 -14.698 -1.331 -7.777 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -13.608 -3.368 -7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -13.537 -3.262 -5.905 1.00 0.00 H new ATOM 400 N HIS A 750 -15.487 -4.938 -7.404 1.00 0.00 N ATOM 401 CA HIS A 750 -16.657 -5.811 -7.325 1.00 0.00 C ATOM 402 C HIS A 750 -16.585 -6.565 -6.032 1.00 0.00 C ATOM 403 O HIS A 750 -17.443 -6.429 -5.157 1.00 0.00 O ATOM 404 CB HIS A 750 -16.706 -6.800 -8.490 1.00 0.00 C ATOM 405 CG HIS A 750 -16.777 -6.166 -9.837 1.00 0.00 C ATOM 406 ND1 HIS A 750 -15.803 -6.334 -10.788 1.00 0.00 N ATOM 407 CD2 HIS A 750 -17.718 -5.373 -10.399 1.00 0.00 C ATOM 408 CE1 HIS A 750 -16.142 -5.676 -11.881 1.00 0.00 C ATOM 409 NE2 HIS A 750 -17.300 -5.083 -11.672 1.00 0.00 N ATOM 0 H HIS A 750 -14.767 -5.241 -8.059 1.00 0.00 H new ATOM 0 HA HIS A 750 -17.558 -5.200 -7.377 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -15.821 -7.436 -8.448 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -17.572 -7.450 -8.362 1.00 0.00 H new ATOM 0 HD1 HIS A 750 -14.951 -6.881 -10.669 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -18.630 -5.032 -9.931 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -15.567 -5.631 -12.794 1.00 0.00 H new ATOM 418 N THR A 751 -15.505 -7.263 -5.871 1.00 0.00 N ATOM 419 CA THR A 751 -15.215 -7.956 -4.672 1.00 0.00 C ATOM 420 C THR A 751 -13.831 -7.541 -4.194 1.00 0.00 C ATOM 421 O THR A 751 -13.016 -7.036 -4.983 1.00 0.00 O ATOM 422 CB THR A 751 -15.293 -9.462 -4.922 1.00 0.00 C ATOM 423 OG1 THR A 751 -14.541 -9.819 -6.073 1.00 0.00 O ATOM 424 CG2 THR A 751 -16.703 -9.991 -5.106 1.00 0.00 C ATOM 0 H THR A 751 -14.789 -7.364 -6.591 1.00 0.00 H new ATOM 0 HA THR A 751 -15.941 -7.708 -3.898 1.00 0.00 H new ATOM 0 HB THR A 751 -14.883 -9.915 -4.019 1.00 0.00 H new ATOM 0 HG1 THR A 751 -14.601 -10.787 -6.216 1.00 0.00 H new ATOM 0 HG21 THR A 751 -16.668 -11.067 -5.278 1.00 0.00 H new ATOM 0 HG22 THR A 751 -17.288 -9.786 -4.210 1.00 0.00 H new ATOM 0 HG23 THR A 751 -17.167 -9.501 -5.962 1.00 0.00 H new ATOM 432 N ASP A 752 -13.562 -7.750 -2.919 1.00 0.00 N ATOM 433 CA ASP A 752 -12.263 -7.419 -2.328 1.00 0.00 C ATOM 434 C ASP A 752 -11.163 -8.223 -2.914 1.00 0.00 C ATOM 435 O ASP A 752 -10.048 -7.771 -2.947 1.00 0.00 O ATOM 436 CB ASP A 752 -12.259 -7.527 -0.819 1.00 0.00 C ATOM 437 CG ASP A 752 -13.184 -6.559 -0.200 1.00 0.00 C ATOM 438 OD1 ASP A 752 -12.847 -5.380 -0.135 1.00 0.00 O ATOM 439 OD2 ASP A 752 -14.286 -6.963 0.191 1.00 0.00 O ATOM 0 H ASP A 752 -14.229 -8.152 -2.260 1.00 0.00 H new ATOM 0 HA ASP A 752 -12.085 -6.373 -2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -12.541 -8.538 -0.526 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -11.250 -7.356 -0.445 1.00 0.00 H new ATOM 444 N ALA A 753 -11.476 -9.444 -3.329 1.00 0.00 N ATOM 445 CA ALA A 753 -10.485 -10.361 -3.889 1.00 0.00 C ATOM 446 C ALA A 753 -9.777 -9.775 -5.115 1.00 0.00 C ATOM 447 O ALA A 753 -8.582 -10.016 -5.304 1.00 0.00 O ATOM 448 CB ALA A 753 -11.130 -11.687 -4.240 1.00 0.00 C ATOM 0 H ALA A 753 -12.420 -9.828 -3.288 1.00 0.00 H new ATOM 0 HA ALA A 753 -9.727 -10.521 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -10.379 -12.358 -4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -11.558 -12.133 -3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -11.918 -11.525 -4.975 1.00 0.00 H new ATOM 454 N GLU A 754 -10.491 -8.948 -5.893 1.00 0.00 N ATOM 455 CA GLU A 754 -9.892 -8.264 -7.052 1.00 0.00 C ATOM 456 C GLU A 754 -8.830 -7.280 -6.577 1.00 0.00 C ATOM 457 O GLU A 754 -7.730 -7.187 -7.141 1.00 0.00 O ATOM 458 CB GLU A 754 -10.932 -7.458 -7.827 1.00 0.00 C ATOM 459 CG GLU A 754 -12.157 -8.198 -8.304 1.00 0.00 C ATOM 460 CD GLU A 754 -13.005 -7.311 -9.152 1.00 0.00 C ATOM 461 OE1 GLU A 754 -13.349 -6.213 -8.701 1.00 0.00 O ATOM 462 OE2 GLU A 754 -13.317 -7.690 -10.282 1.00 0.00 O ATOM 0 H GLU A 754 -11.478 -8.737 -5.743 1.00 0.00 H new ATOM 0 HA GLU A 754 -9.467 -9.035 -7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -11.260 -6.632 -7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -10.442 -7.019 -8.696 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -11.859 -9.079 -8.873 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -12.732 -8.551 -7.448 1.00 0.00 H new ATOM 469 N ILE A 755 -9.186 -6.534 -5.549 1.00 0.00 N ATOM 470 CA ILE A 755 -8.319 -5.532 -4.966 1.00 0.00 C ATOM 471 C ILE A 755 -7.172 -6.208 -4.222 1.00 0.00 C ATOM 472 O ILE A 755 -6.056 -5.762 -4.273 1.00 0.00 O ATOM 473 CB ILE A 755 -9.112 -4.594 -4.020 1.00 0.00 C ATOM 474 CG1 ILE A 755 -10.309 -4.005 -4.767 1.00 0.00 C ATOM 475 CG2 ILE A 755 -8.225 -3.462 -3.496 1.00 0.00 C ATOM 476 CD1 ILE A 755 -11.119 -3.045 -3.943 1.00 0.00 C ATOM 0 H ILE A 755 -10.095 -6.608 -5.092 1.00 0.00 H new ATOM 0 HA ILE A 755 -7.906 -4.920 -5.768 1.00 0.00 H new ATOM 0 HB ILE A 755 -9.459 -5.179 -3.168 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -9.953 -3.493 -5.661 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -10.954 -4.818 -5.101 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -8.807 -2.820 -2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -7.385 -3.884 -2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -7.851 -2.875 -4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -11.951 -2.667 -4.537 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -11.506 -3.558 -3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -10.489 -2.212 -3.631 1.00 0.00 H new ATOM 488 N GLU A 756 -7.478 -7.300 -3.562 1.00 0.00 N ATOM 489 CA GLU A 756 -6.514 -8.093 -2.818 1.00 0.00 C ATOM 490 C GLU A 756 -5.439 -8.655 -3.784 1.00 0.00 C ATOM 491 O GLU A 756 -4.273 -8.789 -3.428 1.00 0.00 O ATOM 492 CB GLU A 756 -7.304 -9.198 -2.069 1.00 0.00 C ATOM 493 CG GLU A 756 -6.570 -9.992 -0.995 1.00 0.00 C ATOM 494 CD GLU A 756 -5.782 -11.128 -1.525 1.00 0.00 C ATOM 495 OE1 GLU A 756 -6.389 -12.063 -2.058 1.00 0.00 O ATOM 496 OE2 GLU A 756 -4.568 -11.132 -1.377 1.00 0.00 O ATOM 0 H GLU A 756 -8.426 -7.675 -3.523 1.00 0.00 H new ATOM 0 HA GLU A 756 -5.974 -7.497 -2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -8.174 -8.732 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -7.678 -9.904 -2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -5.904 -9.321 -0.452 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -7.296 -10.370 -0.276 1.00 0.00 H new ATOM 503 N ALA A 757 -5.823 -8.881 -5.032 1.00 0.00 N ATOM 504 CA ALA A 757 -4.861 -9.334 -6.049 1.00 0.00 C ATOM 505 C ALA A 757 -3.846 -8.238 -6.400 1.00 0.00 C ATOM 506 O ALA A 757 -2.648 -8.480 -6.404 1.00 0.00 O ATOM 507 CB ALA A 757 -5.571 -9.836 -7.299 1.00 0.00 C ATOM 0 H ALA A 757 -6.778 -8.763 -5.370 1.00 0.00 H new ATOM 0 HA ALA A 757 -4.308 -10.168 -5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -4.832 -10.163 -8.031 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -6.219 -10.673 -7.038 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -6.171 -9.032 -7.724 1.00 0.00 H new ATOM 513 N ILE A 758 -4.335 -7.020 -6.611 1.00 0.00 N ATOM 514 CA ILE A 758 -3.475 -5.862 -6.903 1.00 0.00 C ATOM 515 C ILE A 758 -2.692 -5.416 -5.646 1.00 0.00 C ATOM 516 O ILE A 758 -1.538 -4.987 -5.725 1.00 0.00 O ATOM 517 CB ILE A 758 -4.296 -4.691 -7.642 1.00 0.00 C ATOM 518 CG1 ILE A 758 -3.518 -3.363 -7.853 1.00 0.00 C ATOM 519 CG2 ILE A 758 -5.627 -4.406 -6.983 1.00 0.00 C ATOM 520 CD1 ILE A 758 -3.464 -2.436 -6.640 1.00 0.00 C ATOM 0 H ILE A 758 -5.331 -6.801 -6.586 1.00 0.00 H new ATOM 0 HA ILE A 758 -2.710 -6.160 -7.621 1.00 0.00 H new ATOM 0 HB ILE A 758 -4.467 -5.105 -8.636 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -2.497 -3.603 -8.151 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -3.974 -2.822 -8.682 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -6.137 -3.608 -7.523 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -6.242 -5.306 -7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -5.463 -4.098 -5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -2.899 -1.539 -6.893 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -4.477 -2.157 -6.350 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -2.978 -2.950 -5.811 1.00 0.00 H new ATOM 532 N PHE A 759 -3.345 -5.531 -4.510 1.00 0.00 N ATOM 533 CA PHE A 759 -2.829 -5.138 -3.193 1.00 0.00 C ATOM 534 C PHE A 759 -1.513 -5.807 -2.814 1.00 0.00 C ATOM 535 O PHE A 759 -0.742 -5.238 -2.039 1.00 0.00 O ATOM 536 CB PHE A 759 -3.942 -5.410 -2.137 1.00 0.00 C ATOM 537 CG PHE A 759 -3.579 -6.181 -0.873 1.00 0.00 C ATOM 538 CD1 PHE A 759 -3.636 -7.563 -0.830 1.00 0.00 C ATOM 539 CD2 PHE A 759 -3.234 -5.518 0.261 1.00 0.00 C ATOM 540 CE1 PHE A 759 -3.342 -8.250 0.324 1.00 0.00 C ATOM 541 CE2 PHE A 759 -2.947 -6.195 1.431 1.00 0.00 C ATOM 542 CZ PHE A 759 -2.999 -7.565 1.460 1.00 0.00 C ATOM 0 H PHE A 759 -4.289 -5.915 -4.464 1.00 0.00 H new ATOM 0 HA PHE A 759 -2.585 -4.076 -3.228 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -4.350 -4.447 -1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -4.745 -5.952 -2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -3.916 -8.111 -1.718 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -3.183 -4.439 0.248 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -3.381 -9.329 0.335 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -2.682 -5.645 2.322 1.00 0.00 H new ATOM 0 HZ PHE A 759 -2.772 -8.099 2.370 1.00 0.00 H new ATOM 552 N THR A 760 -1.286 -7.020 -3.276 1.00 0.00 N ATOM 553 CA THR A 760 -0.103 -7.733 -2.852 1.00 0.00 C ATOM 554 C THR A 760 1.208 -7.094 -3.398 1.00 0.00 C ATOM 555 O THR A 760 2.146 -6.842 -2.641 1.00 0.00 O ATOM 556 CB THR A 760 -0.232 -9.193 -3.321 1.00 0.00 C ATOM 557 OG1 THR A 760 -1.460 -9.745 -2.873 1.00 0.00 O ATOM 558 CG2 THR A 760 0.869 -10.106 -2.819 1.00 0.00 C ATOM 0 H THR A 760 -1.889 -7.521 -3.929 1.00 0.00 H new ATOM 0 HA THR A 760 -0.033 -7.682 -1.765 1.00 0.00 H new ATOM 0 HB THR A 760 -0.169 -9.144 -4.408 1.00 0.00 H new ATOM 0 HG1 THR A 760 -1.532 -10.673 -3.178 1.00 0.00 H new ATOM 0 HG21 THR A 760 0.704 -11.116 -3.195 1.00 0.00 H new ATOM 0 HG22 THR A 760 1.834 -9.741 -3.172 1.00 0.00 H new ATOM 0 HG23 THR A 760 0.863 -10.119 -1.729 1.00 0.00 H new ATOM 566 N LYS A 761 1.290 -6.853 -4.693 1.00 0.00 N ATOM 567 CA LYS A 761 2.515 -6.275 -5.253 1.00 0.00 C ATOM 568 C LYS A 761 2.489 -4.763 -5.436 1.00 0.00 C ATOM 569 O LYS A 761 3.547 -4.135 -5.529 1.00 0.00 O ATOM 570 CB LYS A 761 2.937 -6.987 -6.532 1.00 0.00 C ATOM 571 CG LYS A 761 3.119 -8.512 -6.391 1.00 0.00 C ATOM 572 CD LYS A 761 4.403 -9.008 -5.646 1.00 0.00 C ATOM 573 CE LYS A 761 4.558 -8.597 -4.164 1.00 0.00 C ATOM 574 NZ LYS A 761 5.237 -7.284 -3.978 1.00 0.00 N ATOM 0 H LYS A 761 0.549 -7.040 -5.369 1.00 0.00 H new ATOM 0 HA LYS A 761 3.275 -6.448 -4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 761 2.191 -6.794 -7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 761 3.874 -6.554 -6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 761 2.249 -8.910 -5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 761 3.118 -8.947 -7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 761 4.427 -10.096 -5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 761 5.273 -8.643 -6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 761 3.572 -8.555 -3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 761 5.124 -9.367 -3.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 4.729 -6.729 -3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 6.216 -7.441 -3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 5.240 -6.764 -4.879 1.00 0.00 H new ATOM 588 N TYR A 762 1.320 -4.222 -5.712 1.00 0.00 N ATOM 589 CA TYR A 762 1.205 -2.824 -6.138 1.00 0.00 C ATOM 590 C TYR A 762 1.088 -1.793 -5.012 1.00 0.00 C ATOM 591 O TYR A 762 1.058 -0.591 -5.289 1.00 0.00 O ATOM 592 CB TYR A 762 0.106 -2.648 -7.185 1.00 0.00 C ATOM 593 CG TYR A 762 0.338 -3.444 -8.465 1.00 0.00 C ATOM 594 CD1 TYR A 762 1.135 -2.943 -9.478 1.00 0.00 C ATOM 595 CD2 TYR A 762 -0.244 -4.693 -8.654 1.00 0.00 C ATOM 596 CE1 TYR A 762 1.349 -3.656 -10.641 1.00 0.00 C ATOM 597 CE2 TYR A 762 -0.035 -5.414 -9.816 1.00 0.00 C ATOM 598 CZ TYR A 762 0.762 -4.887 -10.807 1.00 0.00 C ATOM 599 OH TYR A 762 0.975 -5.594 -11.966 1.00 0.00 O ATOM 0 H TYR A 762 0.432 -4.720 -5.652 1.00 0.00 H new ATOM 0 HA TYR A 762 2.169 -2.602 -6.596 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -0.848 -2.948 -6.750 1.00 0.00 H new ATOM 0 HB3 TYR A 762 0.023 -1.591 -7.436 1.00 0.00 H new ATOM 0 HD1 TYR A 762 1.599 -1.975 -9.357 1.00 0.00 H new ATOM 0 HD2 TYR A 762 -0.871 -5.108 -7.879 1.00 0.00 H new ATOM 0 HE1 TYR A 762 1.977 -3.247 -11.419 1.00 0.00 H new ATOM 0 HE2 TYR A 762 -0.494 -6.383 -9.945 1.00 0.00 H new ATOM 0 HH TYR A 762 0.490 -6.445 -11.924 1.00 0.00 H new ATOM 609 N ASP A 763 1.046 -2.230 -3.756 1.00 0.00 N ATOM 610 CA ASP A 763 1.014 -1.275 -2.628 1.00 0.00 C ATOM 611 C ASP A 763 2.347 -0.525 -2.554 1.00 0.00 C ATOM 612 O ASP A 763 3.360 -1.036 -3.040 1.00 0.00 O ATOM 613 CB ASP A 763 0.714 -1.972 -1.294 1.00 0.00 C ATOM 614 CG ASP A 763 0.723 -1.009 -0.142 1.00 0.00 C ATOM 615 OD1 ASP A 763 -0.201 -0.199 -0.047 1.00 0.00 O ATOM 616 OD2 ASP A 763 1.686 -1.026 0.628 1.00 0.00 O ATOM 0 H ASP A 763 1.033 -3.214 -3.487 1.00 0.00 H new ATOM 0 HA ASP A 763 0.205 -0.566 -2.807 1.00 0.00 H new ATOM 0 HB2 ASP A 763 -0.259 -2.460 -1.351 1.00 0.00 H new ATOM 0 HB3 ASP A 763 1.453 -2.754 -1.119 1.00 0.00 H new ATOM 621 N GLN A 764 2.344 0.698 -2.002 1.00 0.00 N ATOM 622 CA GLN A 764 3.559 1.517 -1.940 1.00 0.00 C ATOM 623 C GLN A 764 4.710 0.792 -1.234 1.00 0.00 C ATOM 624 O GLN A 764 5.841 0.784 -1.731 1.00 0.00 O ATOM 625 CB GLN A 764 3.303 2.895 -1.283 1.00 0.00 C ATOM 626 CG GLN A 764 2.848 2.861 0.184 1.00 0.00 C ATOM 627 CD GLN A 764 2.727 4.245 0.796 1.00 0.00 C ATOM 628 OE1 GLN A 764 1.929 4.469 1.698 1.00 0.00 O ATOM 629 NE2 GLN A 764 3.521 5.182 0.322 1.00 0.00 N ATOM 0 H GLN A 764 1.518 1.137 -1.595 1.00 0.00 H new ATOM 0 HA GLN A 764 3.857 1.690 -2.974 1.00 0.00 H new ATOM 0 HB2 GLN A 764 4.219 3.483 -1.346 1.00 0.00 H new ATOM 0 HB3 GLN A 764 2.547 3.420 -1.866 1.00 0.00 H new ATOM 0 HG2 GLN A 764 1.885 2.355 0.249 1.00 0.00 H new ATOM 0 HG3 GLN A 764 3.557 2.272 0.766 1.00 0.00 H new ATOM 0 HE21 GLN A 764 4.175 4.964 -0.430 1.00 0.00 H new ATOM 0 HE22 GLN A 764 3.482 6.126 0.707 1.00 0.00 H new ATOM 638 N ASP A 765 4.417 0.145 -0.120 1.00 0.00 N ATOM 639 CA ASP A 765 5.426 -0.615 0.585 1.00 0.00 C ATOM 640 C ASP A 765 5.228 -2.095 0.423 1.00 0.00 C ATOM 641 O ASP A 765 6.012 -2.888 0.948 1.00 0.00 O ATOM 642 CB ASP A 765 5.505 -0.231 2.059 1.00 0.00 C ATOM 643 CG ASP A 765 6.095 1.121 2.256 1.00 0.00 C ATOM 644 OD1 ASP A 765 7.324 1.217 2.337 1.00 0.00 O ATOM 645 OD2 ASP A 765 5.348 2.096 2.297 1.00 0.00 O ATOM 0 H ASP A 765 3.493 0.132 0.312 1.00 0.00 H new ATOM 0 HA ASP A 765 6.382 -0.359 0.129 1.00 0.00 H new ATOM 0 HB2 ASP A 765 4.506 -0.256 2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 765 6.104 -0.968 2.593 1.00 0.00 H new ATOM 650 N GLY A 766 4.167 -2.467 -0.263 1.00 0.00 N ATOM 651 CA GLY A 766 3.858 -3.866 -0.451 1.00 0.00 C ATOM 652 C GLY A 766 3.212 -4.454 0.772 1.00 0.00 C ATOM 653 O GLY A 766 3.493 -5.602 1.141 1.00 0.00 O ATOM 0 H GLY A 766 3.507 -1.822 -0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 766 3.193 -3.981 -1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 766 4.772 -4.414 -0.681 1.00 0.00 H new ATOM 657 N ASP A 767 2.369 -3.673 1.438 1.00 0.00 N ATOM 658 CA ASP A 767 1.714 -4.150 2.643 1.00 0.00 C ATOM 659 C ASP A 767 0.226 -3.891 2.628 1.00 0.00 C ATOM 660 O ASP A 767 -0.550 -4.841 2.593 1.00 0.00 O ATOM 661 CB ASP A 767 2.349 -3.575 3.906 1.00 0.00 C ATOM 662 CG ASP A 767 1.736 -4.150 5.135 1.00 0.00 C ATOM 663 OD1 ASP A 767 1.886 -5.366 5.347 1.00 0.00 O ATOM 664 OD2 ASP A 767 1.129 -3.405 5.901 1.00 0.00 O ATOM 0 H ASP A 767 2.127 -2.720 1.166 1.00 0.00 H new ATOM 0 HA ASP A 767 1.859 -5.230 2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 767 3.420 -3.780 3.902 1.00 0.00 H new ATOM 0 HB3 ASP A 767 2.232 -2.491 3.912 1.00 0.00 H new ATOM 669 N GLN A 768 -0.154 -2.604 2.675 1.00 0.00 N ATOM 670 CA GLN A 768 -1.553 -2.143 2.703 1.00 0.00 C ATOM 671 C GLN A 768 -2.229 -2.649 3.990 1.00 0.00 C ATOM 672 O GLN A 768 -2.800 -3.730 4.022 1.00 0.00 O ATOM 673 CB GLN A 768 -2.299 -2.584 1.450 1.00 0.00 C ATOM 674 CG GLN A 768 -3.278 -1.568 0.892 1.00 0.00 C ATOM 675 CD GLN A 768 -3.851 -1.993 -0.443 1.00 0.00 C ATOM 676 OE1 GLN A 768 -4.954 -2.704 -0.435 1.00 0.00 O flip ATOM 677 NE2 GLN A 768 -3.296 -1.686 -1.483 1.00 0.00 N flip ATOM 0 H GLN A 768 0.518 -1.837 2.695 1.00 0.00 H new ATOM 0 HA GLN A 768 -1.577 -1.053 2.709 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -1.569 -2.824 0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -2.841 -3.503 1.673 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -4.091 -1.422 1.603 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -2.776 -0.607 0.780 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -2.440 -1.132 -1.460 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -3.688 -1.982 -2.377 1.00 0.00 H new ATOM 686 N GLU A 769 -2.215 -1.756 4.978 1.00 0.00 N ATOM 687 CA GLU A 769 -2.736 -1.848 6.391 1.00 0.00 C ATOM 688 C GLU A 769 -1.676 -1.284 7.344 1.00 0.00 C ATOM 689 O GLU A 769 -1.478 -1.789 8.449 1.00 0.00 O ATOM 690 CB GLU A 769 -3.196 -3.247 6.912 1.00 0.00 C ATOM 691 CG GLU A 769 -4.601 -3.685 6.500 1.00 0.00 C ATOM 692 CD GLU A 769 -5.088 -4.833 7.316 1.00 0.00 C ATOM 693 OE1 GLU A 769 -5.648 -4.583 8.400 1.00 0.00 O ATOM 694 OE2 GLU A 769 -4.928 -5.972 6.891 1.00 0.00 O ATOM 0 H GLU A 769 -1.798 -0.839 4.817 1.00 0.00 H new ATOM 0 HA GLU A 769 -3.659 -1.268 6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -2.486 -3.995 6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -3.142 -3.243 8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -5.289 -2.846 6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -4.600 -3.964 5.446 1.00 0.00 H new ATOM 701 N LEU A 770 -0.971 -0.248 6.883 1.00 0.00 N ATOM 702 CA LEU A 770 0.104 0.372 7.644 1.00 0.00 C ATOM 703 C LEU A 770 -0.160 1.869 7.877 1.00 0.00 C ATOM 704 O LEU A 770 -0.573 2.602 6.967 1.00 0.00 O ATOM 705 CB LEU A 770 1.505 0.120 6.979 1.00 0.00 C ATOM 706 CG LEU A 770 1.792 0.674 5.540 1.00 0.00 C ATOM 707 CD1 LEU A 770 3.219 0.373 5.143 1.00 0.00 C ATOM 708 CD2 LEU A 770 0.885 0.072 4.490 1.00 0.00 C ATOM 0 H LEU A 770 -1.133 0.181 5.972 1.00 0.00 H new ATOM 0 HA LEU A 770 0.127 -0.105 8.624 1.00 0.00 H new ATOM 0 HB2 LEU A 770 2.261 0.536 7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 770 1.663 -0.958 6.951 1.00 0.00 H new ATOM 0 HG LEU A 770 1.610 1.748 5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 770 3.408 0.762 4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 770 3.901 0.845 5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 770 3.379 -0.705 5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 770 1.129 0.492 3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 770 1.025 -1.009 4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -0.153 0.298 4.733 1.00 0.00 H new ATOM 720 N THR A 771 -0.031 2.285 9.114 1.00 0.00 N ATOM 721 CA THR A 771 -0.352 3.639 9.524 1.00 0.00 C ATOM 722 C THR A 771 0.929 4.473 9.790 1.00 0.00 C ATOM 723 O THR A 771 2.036 3.936 9.768 1.00 0.00 O ATOM 724 CB THR A 771 -1.293 3.549 10.757 1.00 0.00 C ATOM 725 OG1 THR A 771 -2.393 2.697 10.457 1.00 0.00 O ATOM 726 CG2 THR A 771 -1.883 4.867 11.258 1.00 0.00 C ATOM 0 H THR A 771 0.302 1.692 9.874 1.00 0.00 H new ATOM 0 HA THR A 771 -0.869 4.170 8.725 1.00 0.00 H new ATOM 0 HB THR A 771 -0.646 3.173 11.549 1.00 0.00 H new ATOM 0 HG1 THR A 771 -2.849 2.447 11.288 1.00 0.00 H new ATOM 0 HG21 THR A 771 -2.521 4.675 12.120 1.00 0.00 H new ATOM 0 HG22 THR A 771 -1.076 5.541 11.546 1.00 0.00 H new ATOM 0 HG23 THR A 771 -2.473 5.326 10.465 1.00 0.00 H new