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 Single : A 731 GLN :FLIP amide:sc= -3.92! C(o=-9!,f=-3.9!) USER MOD Single : A 735 LYS NZ :NH3+ -113:sc= 0.762 (180deg=-0.726) USER MOD Single : A 737 ASN :FLIP amide:sc= -0.422 F(o=-5.7!,f=-0.42) USER MOD Single : A 743 GLN : amide:sc= -7! C(o=-7!,f=-12!) USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 750 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 751 THR OG1 : rot 180:sc= 0 USER MOD Single : A 760 THR OG1 : rot 87:sc= 1.23 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=-0.00567 K(o=-0.0057,f=-0.51) USER MOD Single : A 768 GLN :FLIP amide:sc= -4.15! C(o=-4.9!,f=-4.1!) USER MOD Single : A 771 THR OG1 : rot 180:sc= -1.45! USER MOD ----------------------------------------------------------------- ATOM 68 N LEU A 729 -9.369 11.316 4.285 1.00 0.00 N ATOM 69 CA LEU A 729 -9.188 11.661 5.698 1.00 0.00 C ATOM 70 C LEU A 729 -7.878 11.064 6.213 1.00 0.00 C ATOM 71 O LEU A 729 -6.808 11.371 5.692 1.00 0.00 O ATOM 72 CB LEU A 729 -10.380 11.179 6.566 1.00 0.00 C ATOM 73 CG LEU A 729 -11.749 11.813 6.309 1.00 0.00 C ATOM 74 CD1 LEU A 729 -12.799 11.139 7.160 1.00 0.00 C ATOM 75 CD2 LEU A 729 -11.717 13.296 6.625 1.00 0.00 C ATOM 0 HA LEU A 729 -9.147 12.747 5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 729 -10.479 10.102 6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 729 -10.123 11.348 7.612 1.00 0.00 H new ATOM 0 HG LEU A 729 -11.996 11.682 5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 729 -13.770 11.597 6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 729 -12.843 10.079 6.912 1.00 0.00 H new ATOM 0 HD13 LEU A 729 -12.543 11.254 8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 729 -12.699 13.730 6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 729 -11.452 13.439 7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 729 -10.976 13.787 5.994 1.00 0.00 H new ATOM 87 N ARG A 730 -7.973 10.167 7.189 1.00 0.00 N ATOM 88 CA ARG A 730 -6.855 9.496 7.766 1.00 0.00 C ATOM 89 C ARG A 730 -6.157 8.576 6.760 1.00 0.00 C ATOM 90 O ARG A 730 -4.966 8.359 6.833 1.00 0.00 O ATOM 91 CB ARG A 730 -7.296 8.777 9.030 1.00 0.00 C ATOM 92 CG ARG A 730 -8.323 7.669 8.852 1.00 0.00 C ATOM 93 CD ARG A 730 -8.818 7.189 10.206 1.00 0.00 C ATOM 94 NE ARG A 730 -9.616 5.966 10.123 1.00 0.00 N ATOM 95 CZ ARG A 730 -10.318 5.470 11.143 1.00 0.00 C ATOM 96 NH1 ARG A 730 -10.331 6.110 12.304 1.00 0.00 N ATOM 97 NH2 ARG A 730 -10.969 4.332 11.001 1.00 0.00 N ATOM 0 H ARG A 730 -8.865 9.891 7.600 1.00 0.00 H new ATOM 0 HA ARG A 730 -6.101 10.231 8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 730 -6.413 8.352 9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 730 -7.706 9.516 9.719 1.00 0.00 H new ATOM 0 HG2 ARG A 730 -9.162 8.033 8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 730 -7.880 6.838 8.303 1.00 0.00 H new ATOM 0 HD2 ARG A 730 -7.962 7.014 10.858 1.00 0.00 H new ATOM 0 HD3 ARG A 730 -9.415 7.975 10.668 1.00 0.00 H new ATOM 0 HE ARG A 730 -9.637 5.464 9.235 1.00 0.00 H new ATOM 0 HH11 ARG A 730 -9.806 6.977 12.414 1.00 0.00 H new ATOM 0 HH12 ARG A 730 -10.866 5.735 13.087 1.00 0.00 H new ATOM 0 HH21 ARG A 730 -10.935 3.833 10.112 1.00 0.00 H new ATOM 0 HH22 ARG A 730 -11.506 3.951 11.780 1.00 0.00 H new ATOM 111 N GLN A 731 -6.917 8.072 5.810 1.00 0.00 N ATOM 112 CA GLN A 731 -6.381 7.245 4.739 1.00 0.00 C ATOM 113 C GLN A 731 -5.744 8.138 3.720 1.00 0.00 C ATOM 114 O GLN A 731 -4.687 7.839 3.178 1.00 0.00 O ATOM 115 CB GLN A 731 -7.498 6.426 4.078 1.00 0.00 C ATOM 116 CG GLN A 731 -7.049 5.566 2.881 1.00 0.00 C ATOM 117 CD GLN A 731 -5.890 4.657 3.198 1.00 0.00 C ATOM 118 OE1 GLN A 731 -5.892 4.153 4.383 1.00 0.00 O flip ATOM 119 NE2 GLN A 731 -5.052 4.358 2.351 1.00 0.00 N flip ATOM 0 H GLN A 731 -7.924 8.222 5.755 1.00 0.00 H new ATOM 0 HA GLN A 731 -5.646 6.553 5.151 1.00 0.00 H new ATOM 0 HB2 GLN A 731 -7.943 5.774 4.829 1.00 0.00 H new ATOM 0 HB3 GLN A 731 -8.280 7.108 3.744 1.00 0.00 H new ATOM 0 HG2 GLN A 731 -7.891 4.963 2.540 1.00 0.00 H new ATOM 0 HG3 GLN A 731 -6.772 6.222 2.056 1.00 0.00 H new ATOM 0 HE21 GLN A 731 -5.089 4.783 1.424 1.00 0.00 H new ATOM 0 HE22 GLN A 731 -4.319 3.685 2.574 1.00 0.00 H new ATOM 128 N GLY A 732 -6.397 9.257 3.495 1.00 0.00 N ATOM 129 CA GLY A 732 -5.921 10.247 2.560 1.00 0.00 C ATOM 130 C GLY A 732 -4.614 10.874 2.984 1.00 0.00 C ATOM 131 O GLY A 732 -3.969 11.560 2.189 1.00 0.00 O ATOM 0 H GLY A 732 -7.273 9.504 3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 732 -5.796 9.784 1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 732 -6.674 11.027 2.450 1.00 0.00 H new ATOM 135 N GLY A 733 -4.244 10.677 4.242 1.00 0.00 N ATOM 136 CA GLY A 733 -3.006 11.242 4.753 1.00 0.00 C ATOM 137 C GLY A 733 -2.754 10.833 6.177 1.00 0.00 C ATOM 138 O GLY A 733 -2.951 11.632 7.105 1.00 0.00 O ATOM 0 H GLY A 733 -4.779 10.135 4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 733 -2.173 10.918 4.129 1.00 0.00 H new ATOM 0 HA3 GLY A 733 -3.049 12.329 4.689 1.00 0.00 H new ATOM 142 N GLY A 734 -2.369 9.591 6.369 1.00 0.00 N ATOM 143 CA GLY A 734 -2.148 9.090 7.706 1.00 0.00 C ATOM 144 C GLY A 734 -1.452 7.764 7.702 1.00 0.00 C ATOM 145 O GLY A 734 -0.248 7.716 7.811 1.00 0.00 O ATOM 0 H GLY A 734 -2.204 8.915 5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 734 -1.553 9.810 8.269 1.00 0.00 H new ATOM 0 HA3 GLY A 734 -3.104 8.996 8.220 1.00 0.00 H new ATOM 149 N LYS A 735 -2.199 6.692 7.505 1.00 0.00 N ATOM 150 CA LYS A 735 -1.618 5.354 7.425 1.00 0.00 C ATOM 151 C LYS A 735 -2.355 4.572 6.370 1.00 0.00 C ATOM 152 O LYS A 735 -3.468 4.972 5.993 1.00 0.00 O ATOM 153 CB LYS A 735 -1.593 4.618 8.776 1.00 0.00 C ATOM 154 CG LYS A 735 -2.907 4.026 9.299 1.00 0.00 C ATOM 155 CD LYS A 735 -3.974 5.032 9.644 1.00 0.00 C ATOM 156 CE LYS A 735 -5.123 4.307 10.335 1.00 0.00 C ATOM 157 NZ LYS A 735 -6.213 5.193 10.731 1.00 0.00 N ATOM 0 H LYS A 735 -3.213 6.717 7.397 1.00 0.00 H new ATOM 0 HA LYS A 735 -0.569 5.452 7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 735 -0.868 3.807 8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 735 -1.218 5.313 9.527 1.00 0.00 H new ATOM 0 HG2 LYS A 735 -3.304 3.344 8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 735 -2.691 3.431 10.187 1.00 0.00 H new ATOM 0 HD2 LYS A 735 -3.568 5.805 10.296 1.00 0.00 H new ATOM 0 HD3 LYS A 735 -4.329 5.530 8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 735 -5.513 3.540 9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 735 -4.741 3.796 11.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 -6.265 5.236 11.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 -6.040 6.146 10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 -7.111 4.828 10.354 1.00 0.00 H new ATOM 171 N LEU A 736 -1.808 3.468 5.867 1.00 0.00 N ATOM 172 CA LEU A 736 -2.557 2.801 4.814 1.00 0.00 C ATOM 173 C LEU A 736 -2.939 1.448 5.232 1.00 0.00 C ATOM 174 O LEU A 736 -2.097 0.610 5.492 1.00 0.00 O ATOM 175 CB LEU A 736 -1.751 2.686 3.507 1.00 0.00 C ATOM 176 CG LEU A 736 -1.354 3.993 2.757 1.00 0.00 C ATOM 177 CD1 LEU A 736 -0.272 4.780 3.479 1.00 0.00 C ATOM 178 CD2 LEU A 736 -0.910 3.681 1.343 1.00 0.00 C ATOM 0 H LEU A 736 -0.922 3.045 6.144 1.00 0.00 H new ATOM 0 HA LEU A 736 -3.441 3.413 4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -0.834 2.141 3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -2.327 2.070 2.816 1.00 0.00 H new ATOM 0 HG LEU A 736 -2.246 4.619 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -0.036 5.680 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -0.626 5.060 4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 736 0.623 4.165 3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -0.637 4.606 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -0.048 3.014 1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -1.725 3.198 0.804 1.00 0.00 H new ATOM 190 N ASN A 737 -4.191 1.136 5.120 1.00 0.00 N ATOM 191 CA ASN A 737 -4.611 -0.208 5.410 1.00 0.00 C ATOM 192 C ASN A 737 -5.411 -0.690 4.243 1.00 0.00 C ATOM 193 O ASN A 737 -5.748 0.095 3.504 1.00 0.00 O ATOM 194 CB ASN A 737 -5.445 -0.368 6.736 1.00 0.00 C ATOM 195 CG ASN A 737 -4.830 0.099 8.013 1.00 0.00 C ATOM 196 OD1 ASN A 737 -4.025 1.057 7.969 1.00 0.00 O flip ATOM 197 ND2 ASN A 737 -5.104 -0.445 9.063 1.00 0.00 N flip ATOM 0 H ASN A 737 -4.932 1.776 4.836 1.00 0.00 H new ATOM 0 HA ASN A 737 -3.712 -0.802 5.573 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -6.386 0.166 6.604 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -5.690 -1.424 6.850 1.00 0.00 H new ATOM 0 HD21 ASN A 737 -5.762 -1.224 9.077 1.00 0.00 H new ATOM 0 HD22 ASN A 737 -4.676 -0.123 9.931 1.00 0.00 H new ATOM 204 N PHE A 738 -5.663 -1.993 4.040 1.00 0.00 N ATOM 205 CA PHE A 738 -6.533 -2.399 2.911 1.00 0.00 C ATOM 206 C PHE A 738 -7.924 -1.951 3.266 1.00 0.00 C ATOM 207 O PHE A 738 -8.591 -1.245 2.509 1.00 0.00 O ATOM 208 CB PHE A 738 -6.542 -3.928 2.709 1.00 0.00 C ATOM 209 CG PHE A 738 -7.405 -4.371 1.562 1.00 0.00 C ATOM 210 CD1 PHE A 738 -8.751 -4.661 1.743 1.00 0.00 C ATOM 211 CD2 PHE A 738 -6.875 -4.478 0.307 1.00 0.00 C ATOM 212 CE1 PHE A 738 -9.537 -5.037 0.683 1.00 0.00 C ATOM 213 CE2 PHE A 738 -7.653 -4.860 -0.757 1.00 0.00 C ATOM 214 CZ PHE A 738 -8.986 -5.141 -0.569 1.00 0.00 C ATOM 0 H PHE A 738 -5.299 -2.757 4.610 1.00 0.00 H new ATOM 0 HA PHE A 738 -6.167 -1.952 1.987 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -5.521 -4.271 2.540 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -6.892 -4.406 3.624 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -9.184 -4.590 2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -5.829 -4.259 0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -10.585 -5.250 0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -7.218 -4.940 -1.742 1.00 0.00 H new ATOM 0 HZ PHE A 738 -9.598 -5.443 -1.406 1.00 0.00 H new ATOM 224 N ASP A 739 -8.277 -2.287 4.489 1.00 0.00 N ATOM 225 CA ASP A 739 -9.511 -1.900 5.142 1.00 0.00 C ATOM 226 C ASP A 739 -9.581 -0.400 5.329 1.00 0.00 C ATOM 227 O ASP A 739 -10.653 0.193 5.265 1.00 0.00 O ATOM 228 CB ASP A 739 -9.579 -2.578 6.515 1.00 0.00 C ATOM 229 CG ASP A 739 -8.347 -2.319 7.346 1.00 0.00 C ATOM 230 OD1 ASP A 739 -7.358 -3.059 7.179 1.00 0.00 O ATOM 231 OD2 ASP A 739 -8.345 -1.372 8.147 1.00 0.00 O ATOM 0 H ASP A 739 -7.683 -2.865 5.084 1.00 0.00 H new ATOM 0 HA ASP A 739 -10.348 -2.210 4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -10.458 -2.219 7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -9.704 -3.652 6.381 1.00 0.00 H new ATOM 236 N GLU A 740 -8.436 0.223 5.571 1.00 0.00 N ATOM 237 CA GLU A 740 -8.437 1.680 5.752 1.00 0.00 C ATOM 238 C GLU A 740 -8.411 2.326 4.389 1.00 0.00 C ATOM 239 O GLU A 740 -8.909 3.415 4.206 1.00 0.00 O ATOM 240 CB GLU A 740 -7.272 2.173 6.641 1.00 0.00 C ATOM 241 CG GLU A 740 -7.364 3.588 7.178 1.00 0.00 C ATOM 242 CD GLU A 740 -8.363 3.711 8.267 1.00 0.00 C ATOM 243 OE1 GLU A 740 -7.983 3.541 9.415 1.00 0.00 O ATOM 244 OE2 GLU A 740 -9.519 3.998 7.990 1.00 0.00 O ATOM 0 H GLU A 740 -7.525 -0.229 5.646 1.00 0.00 H new ATOM 0 HA GLU A 740 -9.344 1.968 6.283 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -7.183 1.494 7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -6.349 2.088 6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 740 -6.387 3.899 7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 740 -7.628 4.266 6.367 1.00 0.00 H new ATOM 251 N LEU A 741 -7.763 1.631 3.424 1.00 0.00 N ATOM 252 CA LEU A 741 -7.568 2.142 2.021 1.00 0.00 C ATOM 253 C LEU A 741 -8.863 2.481 1.369 1.00 0.00 C ATOM 254 O LEU A 741 -8.916 3.326 0.482 1.00 0.00 O ATOM 255 CB LEU A 741 -6.929 1.076 1.145 1.00 0.00 C ATOM 256 CG LEU A 741 -6.786 1.418 -0.336 1.00 0.00 C ATOM 257 CD1 LEU A 741 -5.628 2.347 -0.583 1.00 0.00 C ATOM 258 CD2 LEU A 741 -6.702 0.199 -1.187 1.00 0.00 C ATOM 0 H LEU A 741 -7.359 0.707 3.581 1.00 0.00 H new ATOM 0 HA LEU A 741 -6.938 3.027 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.939 0.854 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.519 0.163 1.231 1.00 0.00 H new ATOM 0 HG LEU A 741 -7.694 1.946 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -5.559 2.567 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -5.781 3.274 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -4.704 1.874 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -6.601 0.491 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -5.836 -0.393 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -7.607 -0.395 -1.062 1.00 0.00 H new ATOM 270 N ARG A 742 -9.890 1.790 1.774 1.00 0.00 N ATOM 271 CA ARG A 742 -11.187 1.931 1.226 1.00 0.00 C ATOM 272 C ARG A 742 -11.612 3.309 1.351 1.00 0.00 C ATOM 273 O ARG A 742 -12.106 3.831 0.459 1.00 0.00 O ATOM 274 CB ARG A 742 -12.161 1.122 2.029 1.00 0.00 C ATOM 275 CG ARG A 742 -11.730 -0.268 2.304 1.00 0.00 C ATOM 276 CD ARG A 742 -11.670 -1.112 1.028 1.00 0.00 C ATOM 277 NE ARG A 742 -10.450 -0.982 0.233 1.00 0.00 N ATOM 278 CZ ARG A 742 -10.448 -1.074 -1.114 1.00 0.00 C ATOM 279 NH1 ARG A 742 -11.536 -0.724 -1.814 1.00 0.00 N ATOM 280 NH2 ARG A 742 -9.336 -1.407 -1.755 1.00 0.00 N ATOM 0 H ARG A 742 -9.834 1.095 2.518 1.00 0.00 H new ATOM 0 HA ARG A 742 -11.159 1.608 0.185 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -12.338 1.628 2.978 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -13.114 1.095 1.500 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -10.748 -0.256 2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -12.420 -0.728 3.011 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -11.792 -2.160 1.303 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -12.520 -0.846 0.400 1.00 0.00 H new ATOM 0 HE ARG A 742 -9.566 -0.815 0.714 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -12.368 -0.387 -1.329 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -11.532 -0.794 -2.832 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -8.481 -1.594 -1.230 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -9.335 -1.476 -2.773 1.00 0.00 H new ATOM 294 N GLN A 743 -11.298 3.916 2.465 1.00 0.00 N ATOM 295 CA GLN A 743 -11.709 5.292 2.774 1.00 0.00 C ATOM 296 C GLN A 743 -11.348 6.280 1.710 1.00 0.00 C ATOM 297 O GLN A 743 -12.041 7.283 1.490 1.00 0.00 O ATOM 298 CB GLN A 743 -10.944 5.661 3.949 1.00 0.00 C ATOM 299 CG GLN A 743 -11.195 7.054 4.488 1.00 0.00 C ATOM 300 CD GLN A 743 -10.552 7.176 5.789 1.00 0.00 C ATOM 301 OE1 GLN A 743 -10.059 8.220 6.166 1.00 0.00 O ATOM 302 NE2 GLN A 743 -10.598 6.112 6.506 1.00 0.00 N ATOM 0 H GLN A 743 -10.744 3.479 3.202 1.00 0.00 H new ATOM 0 HA GLN A 743 -12.793 5.315 2.889 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -11.158 4.942 4.740 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -9.884 5.569 3.713 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -10.800 7.802 3.800 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -12.266 7.237 4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -11.026 5.264 6.134 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -10.207 6.114 7.448 1.00 0.00 H new ATOM 311 N ASP A 744 -10.312 5.976 1.044 1.00 0.00 N ATOM 312 CA ASP A 744 -9.826 6.818 -0.037 1.00 0.00 C ATOM 313 C ASP A 744 -10.625 6.628 -1.284 1.00 0.00 C ATOM 314 O ASP A 744 -10.977 7.570 -1.969 1.00 0.00 O ATOM 315 CB ASP A 744 -8.398 6.510 -0.325 1.00 0.00 C ATOM 316 CG ASP A 744 -7.665 7.698 -0.861 1.00 0.00 C ATOM 317 OD1 ASP A 744 -7.755 8.780 -0.239 1.00 0.00 O ATOM 318 OD2 ASP A 744 -6.968 7.562 -1.875 1.00 0.00 O ATOM 0 H ASP A 744 -9.753 5.139 1.210 1.00 0.00 H new ATOM 0 HA ASP A 744 -9.928 7.854 0.286 1.00 0.00 H new ATOM 0 HB2 ASP A 744 -7.911 6.165 0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 744 -8.341 5.694 -1.045 1.00 0.00 H new ATOM 323 N LEU A 745 -10.770 5.395 -1.646 1.00 0.00 N ATOM 324 CA LEU A 745 -11.360 5.038 -2.904 1.00 0.00 C ATOM 325 C LEU A 745 -12.601 4.153 -2.794 1.00 0.00 C ATOM 326 O LEU A 745 -12.787 3.246 -3.615 1.00 0.00 O ATOM 327 CB LEU A 745 -10.271 4.414 -3.796 1.00 0.00 C ATOM 328 CG LEU A 745 -9.196 3.538 -3.075 1.00 0.00 C ATOM 329 CD1 LEU A 745 -9.767 2.272 -2.455 1.00 0.00 C ATOM 330 CD2 LEU A 745 -8.045 3.212 -4.002 1.00 0.00 C ATOM 0 H LEU A 745 -10.482 4.599 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 745 -11.740 5.951 -3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -10.760 3.800 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -9.758 5.219 -4.322 1.00 0.00 H new ATOM 0 HG LEU A 745 -8.821 4.142 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -8.967 1.711 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -10.522 2.538 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.221 1.659 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -7.313 2.602 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -8.418 2.663 -4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -7.573 4.136 -4.336 1.00 0.00 H new ATOM 342 N LYS A 746 -13.402 4.345 -1.735 1.00 0.00 N ATOM 343 CA LYS A 746 -14.604 3.477 -1.527 1.00 0.00 C ATOM 344 C LYS A 746 -15.524 3.522 -2.750 1.00 0.00 C ATOM 345 O LYS A 746 -15.995 4.602 -3.145 1.00 0.00 O ATOM 346 CB LYS A 746 -15.470 3.841 -0.271 1.00 0.00 C ATOM 347 CG LYS A 746 -14.766 3.835 1.089 1.00 0.00 C ATOM 348 CD LYS A 746 -15.757 3.747 2.241 1.00 0.00 C ATOM 349 CE LYS A 746 -15.037 3.642 3.582 1.00 0.00 C ATOM 350 NZ LYS A 746 -15.960 3.430 4.714 1.00 0.00 N ATOM 0 H LYS A 746 -13.260 5.063 -1.024 1.00 0.00 H new ATOM 0 HA LYS A 746 -14.190 2.482 -1.365 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -15.893 4.833 -0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -16.305 3.142 -0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -14.077 2.992 1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -14.169 4.741 1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -16.400 4.627 2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -16.403 2.880 2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -14.324 2.819 3.542 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -14.463 4.553 3.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -15.416 3.366 5.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -16.625 4.227 4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -16.490 2.547 4.569 1.00 0.00 H new ATOM 364 N GLY A 747 -15.832 2.370 -3.309 1.00 0.00 N ATOM 365 CA GLY A 747 -16.753 2.332 -4.437 1.00 0.00 C ATOM 366 C GLY A 747 -16.086 2.033 -5.757 1.00 0.00 C ATOM 367 O GLY A 747 -16.623 2.372 -6.817 1.00 0.00 O ATOM 0 H GLY A 747 -15.470 1.464 -3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -17.515 1.577 -4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -17.265 3.291 -4.508 1.00 0.00 H new ATOM 371 N LYS A 748 -14.939 1.388 -5.711 1.00 0.00 N ATOM 372 CA LYS A 748 -14.223 1.032 -6.923 1.00 0.00 C ATOM 373 C LYS A 748 -14.132 -0.477 -7.038 1.00 0.00 C ATOM 374 O LYS A 748 -14.668 -1.203 -6.190 1.00 0.00 O ATOM 375 CB LYS A 748 -12.801 1.593 -6.885 1.00 0.00 C ATOM 376 CG LYS A 748 -11.962 1.024 -5.737 1.00 0.00 C ATOM 377 CD LYS A 748 -10.504 1.384 -5.856 1.00 0.00 C ATOM 378 CE LYS A 748 -9.830 0.738 -7.075 1.00 0.00 C ATOM 379 NZ LYS A 748 -8.444 1.227 -7.254 1.00 0.00 N ATOM 0 H LYS A 748 -14.480 1.098 -4.847 1.00 0.00 H new ATOM 0 HA LYS A 748 -14.762 1.448 -7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -12.306 1.376 -7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -12.847 2.678 -6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -12.349 1.397 -4.789 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -12.065 -0.061 -5.719 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -10.406 2.467 -5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -9.982 1.073 -4.951 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -9.822 -0.345 -6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -10.412 0.955 -7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -8.019 0.770 -8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -8.455 2.258 -7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -7.883 0.997 -6.409 1.00 0.00 H new ATOM 393 N GLY A 749 -13.332 -0.934 -7.995 1.00 0.00 N ATOM 394 CA GLY A 749 -13.027 -2.342 -8.137 1.00 0.00 C ATOM 395 C GLY A 749 -14.198 -3.196 -8.507 1.00 0.00 C ATOM 396 O GLY A 749 -15.324 -2.705 -8.709 1.00 0.00 O ATOM 0 H GLY A 749 -12.881 -0.337 -8.689 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -12.254 -2.459 -8.897 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -12.609 -2.707 -7.199 1.00 0.00 H new ATOM 400 N HIS A 750 -13.960 -4.470 -8.541 1.00 0.00 N ATOM 401 CA HIS A 750 -15.011 -5.422 -8.784 1.00 0.00 C ATOM 402 C HIS A 750 -15.476 -5.909 -7.430 1.00 0.00 C ATOM 403 O HIS A 750 -16.573 -5.583 -6.982 1.00 0.00 O ATOM 404 CB HIS A 750 -14.492 -6.587 -9.645 1.00 0.00 C ATOM 405 CG HIS A 750 -15.530 -7.587 -10.048 1.00 0.00 C ATOM 406 ND1 HIS A 750 -15.261 -8.929 -10.197 1.00 0.00 N ATOM 407 CD2 HIS A 750 -16.843 -7.431 -10.342 1.00 0.00 C ATOM 408 CE1 HIS A 750 -16.366 -9.553 -10.570 1.00 0.00 C ATOM 409 NE2 HIS A 750 -17.342 -8.666 -10.662 1.00 0.00 N ATOM 0 H HIS A 750 -13.038 -4.883 -8.402 1.00 0.00 H new ATOM 0 HA HIS A 750 -15.837 -4.969 -9.332 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -14.034 -6.178 -10.546 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -13.706 -7.104 -9.095 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -17.395 -6.503 -10.327 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -16.456 -10.611 -10.767 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -18.306 -8.868 -10.927 1.00 0.00 H new ATOM 418 N THR A 751 -14.600 -6.606 -6.757 1.00 0.00 N ATOM 419 CA THR A 751 -14.816 -7.074 -5.427 1.00 0.00 C ATOM 420 C THR A 751 -13.557 -6.769 -4.623 1.00 0.00 C ATOM 421 O THR A 751 -12.487 -6.542 -5.216 1.00 0.00 O ATOM 422 CB THR A 751 -15.057 -8.590 -5.457 1.00 0.00 C ATOM 423 OG1 THR A 751 -14.011 -9.243 -6.166 1.00 0.00 O ATOM 424 CG2 THR A 751 -16.374 -9.014 -6.077 1.00 0.00 C ATOM 0 H THR A 751 -13.690 -6.868 -7.137 1.00 0.00 H new ATOM 0 HA THR A 751 -15.683 -6.589 -4.978 1.00 0.00 H new ATOM 0 HB THR A 751 -15.085 -8.884 -4.408 1.00 0.00 H new ATOM 0 HG1 THR A 751 -14.176 -10.209 -6.176 1.00 0.00 H new ATOM 0 HG21 THR A 751 -16.454 -10.101 -6.053 1.00 0.00 H new ATOM 0 HG22 THR A 751 -17.199 -8.577 -5.514 1.00 0.00 H new ATOM 0 HG23 THR A 751 -16.417 -8.670 -7.110 1.00 0.00 H new ATOM 432 N ASP A 752 -13.642 -6.839 -3.297 1.00 0.00 N ATOM 433 CA ASP A 752 -12.450 -6.675 -2.450 1.00 0.00 C ATOM 434 C ASP A 752 -11.484 -7.787 -2.699 1.00 0.00 C ATOM 435 O ASP A 752 -10.291 -7.583 -2.642 1.00 0.00 O ATOM 436 CB ASP A 752 -12.784 -6.566 -0.958 1.00 0.00 C ATOM 437 CG ASP A 752 -13.503 -5.306 -0.632 1.00 0.00 C ATOM 438 OD1 ASP A 752 -14.697 -5.214 -0.935 1.00 0.00 O ATOM 439 OD2 ASP A 752 -12.879 -4.394 -0.083 1.00 0.00 O ATOM 0 H ASP A 752 -14.509 -7.006 -2.785 1.00 0.00 H new ATOM 0 HA ASP A 752 -11.989 -5.727 -2.729 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -13.396 -7.418 -0.662 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -11.863 -6.617 -0.377 1.00 0.00 H new ATOM 444 N ALA A 753 -12.022 -8.968 -3.013 1.00 0.00 N ATOM 445 CA ALA A 753 -11.219 -10.143 -3.338 1.00 0.00 C ATOM 446 C ALA A 753 -10.315 -9.889 -4.542 1.00 0.00 C ATOM 447 O ALA A 753 -9.182 -10.359 -4.570 1.00 0.00 O ATOM 448 CB ALA A 753 -12.112 -11.347 -3.600 1.00 0.00 C ATOM 0 H ALA A 753 -13.028 -9.134 -3.048 1.00 0.00 H new ATOM 0 HA ALA A 753 -10.584 -10.353 -2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -11.495 -12.212 -3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -12.705 -11.560 -2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -12.777 -11.132 -4.437 1.00 0.00 H new ATOM 454 N GLU A 754 -10.813 -9.114 -5.509 1.00 0.00 N ATOM 455 CA GLU A 754 -10.038 -8.748 -6.701 1.00 0.00 C ATOM 456 C GLU A 754 -8.845 -7.866 -6.320 1.00 0.00 C ATOM 457 O GLU A 754 -7.714 -8.107 -6.750 1.00 0.00 O ATOM 458 CB GLU A 754 -10.934 -7.960 -7.679 1.00 0.00 C ATOM 459 CG GLU A 754 -10.204 -7.403 -8.893 1.00 0.00 C ATOM 460 CD GLU A 754 -11.044 -6.481 -9.695 1.00 0.00 C ATOM 461 OE1 GLU A 754 -11.259 -5.342 -9.253 1.00 0.00 O ATOM 462 OE2 GLU A 754 -11.475 -6.873 -10.787 1.00 0.00 O ATOM 0 H GLU A 754 -11.756 -8.725 -5.490 1.00 0.00 H new ATOM 0 HA GLU A 754 -9.677 -9.664 -7.168 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -11.738 -8.612 -8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -11.400 -7.135 -7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -9.308 -6.877 -8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -9.875 -8.229 -9.524 1.00 0.00 H new ATOM 469 N ILE A 755 -9.112 -6.857 -5.502 1.00 0.00 N ATOM 470 CA ILE A 755 -8.090 -5.914 -5.070 1.00 0.00 C ATOM 471 C ILE A 755 -7.086 -6.610 -4.167 1.00 0.00 C ATOM 472 O ILE A 755 -5.877 -6.374 -4.249 1.00 0.00 O ATOM 473 CB ILE A 755 -8.719 -4.689 -4.361 1.00 0.00 C ATOM 474 CG1 ILE A 755 -9.794 -4.072 -5.260 1.00 0.00 C ATOM 475 CG2 ILE A 755 -7.651 -3.645 -4.045 1.00 0.00 C ATOM 476 CD1 ILE A 755 -10.431 -2.834 -4.694 1.00 0.00 C ATOM 0 H ILE A 755 -10.039 -6.670 -5.121 1.00 0.00 H new ATOM 0 HA ILE A 755 -7.567 -5.546 -5.953 1.00 0.00 H new ATOM 0 HB ILE A 755 -9.170 -5.020 -3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -9.350 -3.830 -6.226 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -10.570 -4.815 -5.443 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -8.112 -2.792 -3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -6.897 -4.083 -3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -7.181 -3.314 -4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -11.181 -2.459 -5.391 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -10.907 -3.072 -3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -9.668 -2.071 -4.537 1.00 0.00 H new ATOM 488 N GLU A 756 -7.607 -7.491 -3.348 1.00 0.00 N ATOM 489 CA GLU A 756 -6.839 -8.311 -2.446 1.00 0.00 C ATOM 490 C GLU A 756 -5.824 -9.153 -3.235 1.00 0.00 C ATOM 491 O GLU A 756 -4.669 -9.312 -2.828 1.00 0.00 O ATOM 492 CB GLU A 756 -7.814 -9.213 -1.710 1.00 0.00 C ATOM 493 CG GLU A 756 -7.218 -10.107 -0.654 1.00 0.00 C ATOM 494 CD GLU A 756 -8.246 -10.986 -0.073 1.00 0.00 C ATOM 495 OE1 GLU A 756 -8.475 -12.065 -0.624 1.00 0.00 O ATOM 496 OE2 GLU A 756 -8.865 -10.599 0.910 1.00 0.00 O ATOM 0 H GLU A 756 -8.611 -7.662 -3.290 1.00 0.00 H new ATOM 0 HA GLU A 756 -6.284 -7.693 -1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -8.574 -8.588 -1.242 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -8.323 -9.839 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -6.421 -10.710 -1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -6.766 -9.500 0.131 1.00 0.00 H new ATOM 503 N ALA A 757 -6.263 -9.676 -4.362 1.00 0.00 N ATOM 504 CA ALA A 757 -5.410 -10.508 -5.199 1.00 0.00 C ATOM 505 C ALA A 757 -4.289 -9.712 -5.839 1.00 0.00 C ATOM 506 O ALA A 757 -3.136 -10.153 -5.854 1.00 0.00 O ATOM 507 CB ALA A 757 -6.233 -11.187 -6.281 1.00 0.00 C ATOM 0 H ALA A 757 -7.207 -9.541 -4.723 1.00 0.00 H new ATOM 0 HA ALA A 757 -4.960 -11.260 -4.551 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -5.582 -11.806 -6.899 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -6.996 -11.813 -5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -6.712 -10.430 -6.903 1.00 0.00 H new ATOM 513 N ILE A 758 -4.630 -8.562 -6.389 1.00 0.00 N ATOM 514 CA ILE A 758 -3.662 -7.743 -7.089 1.00 0.00 C ATOM 515 C ILE A 758 -2.648 -7.057 -6.142 1.00 0.00 C ATOM 516 O ILE A 758 -1.449 -7.036 -6.439 1.00 0.00 O ATOM 517 CB ILE A 758 -4.384 -6.757 -8.125 1.00 0.00 C ATOM 518 CG1 ILE A 758 -3.427 -5.849 -8.951 1.00 0.00 C ATOM 519 CG2 ILE A 758 -5.451 -5.909 -7.463 1.00 0.00 C ATOM 520 CD1 ILE A 758 -2.901 -4.614 -8.228 1.00 0.00 C ATOM 0 H ILE A 758 -5.573 -8.174 -6.364 1.00 0.00 H new ATOM 0 HA ILE A 758 -3.039 -8.405 -7.691 1.00 0.00 H new ATOM 0 HB ILE A 758 -4.850 -7.437 -8.838 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -2.576 -6.448 -9.274 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -3.949 -5.526 -9.851 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -5.911 -5.258 -8.206 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -6.212 -6.556 -7.027 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -4.999 -5.302 -6.679 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -2.245 -4.054 -8.894 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -3.738 -3.983 -7.929 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -2.343 -4.920 -7.343 1.00 0.00 H new ATOM 532 N PHE A 759 -3.119 -6.470 -5.032 1.00 0.00 N ATOM 533 CA PHE A 759 -2.220 -5.712 -4.136 1.00 0.00 C ATOM 534 C PHE A 759 -1.165 -6.577 -3.471 1.00 0.00 C ATOM 535 O PHE A 759 -0.096 -6.103 -3.181 1.00 0.00 O ATOM 536 CB PHE A 759 -2.974 -4.865 -3.087 1.00 0.00 C ATOM 537 CG PHE A 759 -3.169 -5.501 -1.729 1.00 0.00 C ATOM 538 CD1 PHE A 759 -4.168 -6.410 -1.505 1.00 0.00 C ATOM 539 CD2 PHE A 759 -2.342 -5.151 -0.672 1.00 0.00 C ATOM 540 CE1 PHE A 759 -4.349 -6.970 -0.251 1.00 0.00 C ATOM 541 CE2 PHE A 759 -2.512 -5.703 0.575 1.00 0.00 C ATOM 542 CZ PHE A 759 -3.515 -6.614 0.786 1.00 0.00 C ATOM 0 H PHE A 759 -4.094 -6.501 -4.734 1.00 0.00 H new ATOM 0 HA PHE A 759 -1.700 -5.020 -4.798 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -2.434 -3.928 -2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -3.954 -4.613 -3.491 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -4.823 -6.694 -2.316 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -1.551 -4.433 -0.832 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -5.142 -7.684 -0.087 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -1.858 -5.420 1.386 1.00 0.00 H new ATOM 0 HZ PHE A 759 -3.651 -7.052 1.764 1.00 0.00 H new ATOM 552 N THR A 760 -1.469 -7.836 -3.225 1.00 0.00 N ATOM 553 CA THR A 760 -0.512 -8.712 -2.552 1.00 0.00 C ATOM 554 C THR A 760 0.820 -8.785 -3.347 1.00 0.00 C ATOM 555 O THR A 760 1.906 -8.809 -2.766 1.00 0.00 O ATOM 556 CB THR A 760 -1.133 -10.102 -2.333 1.00 0.00 C ATOM 557 OG1 THR A 760 -2.355 -9.990 -1.614 1.00 0.00 O ATOM 558 CG2 THR A 760 -0.252 -11.051 -1.539 1.00 0.00 C ATOM 0 H THR A 760 -2.355 -8.276 -3.474 1.00 0.00 H new ATOM 0 HA THR A 760 -0.275 -8.297 -1.572 1.00 0.00 H new ATOM 0 HB THR A 760 -1.274 -10.507 -3.335 1.00 0.00 H new ATOM 0 HG1 THR A 760 -3.090 -9.829 -2.242 1.00 0.00 H new ATOM 0 HG21 THR A 760 -0.759 -12.010 -1.427 1.00 0.00 H new ATOM 0 HG22 THR A 760 0.691 -11.198 -2.065 1.00 0.00 H new ATOM 0 HG23 THR A 760 -0.055 -10.627 -0.554 1.00 0.00 H new ATOM 566 N LYS A 761 0.729 -8.774 -4.663 1.00 0.00 N ATOM 567 CA LYS A 761 1.919 -8.786 -5.502 1.00 0.00 C ATOM 568 C LYS A 761 2.369 -7.349 -5.871 1.00 0.00 C ATOM 569 O LYS A 761 3.556 -7.074 -6.022 1.00 0.00 O ATOM 570 CB LYS A 761 1.608 -9.519 -6.801 1.00 0.00 C ATOM 571 CG LYS A 761 0.911 -10.863 -6.625 1.00 0.00 C ATOM 572 CD LYS A 761 0.534 -11.436 -7.972 1.00 0.00 C ATOM 573 CE LYS A 761 -0.262 -12.723 -7.843 1.00 0.00 C ATOM 574 NZ LYS A 761 -0.667 -13.235 -9.168 1.00 0.00 N ATOM 0 H LYS A 761 -0.152 -8.757 -5.176 1.00 0.00 H new ATOM 0 HA LYS A 761 2.714 -9.280 -4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 761 0.981 -8.879 -7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 761 2.539 -9.677 -7.345 1.00 0.00 H new ATOM 0 HG2 LYS A 761 1.568 -11.555 -6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 761 0.019 -10.740 -6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -0.051 -10.702 -8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 761 1.438 -11.626 -8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 761 0.337 -13.474 -7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 761 -1.147 -12.547 -7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -1.209 -14.115 -9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -1.258 -12.526 -9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 0.180 -13.425 -9.741 1.00 0.00 H new ATOM 588 N TYR A 762 1.400 -6.548 -6.267 1.00 0.00 N ATOM 589 CA TYR A 762 1.631 -5.241 -6.910 1.00 0.00 C ATOM 590 C TYR A 762 1.592 -3.994 -6.010 1.00 0.00 C ATOM 591 O TYR A 762 1.562 -2.879 -6.551 1.00 0.00 O ATOM 592 CB TYR A 762 0.718 -5.060 -8.121 1.00 0.00 C ATOM 593 CG TYR A 762 0.875 -6.151 -9.155 1.00 0.00 C ATOM 594 CD1 TYR A 762 1.924 -6.136 -10.057 1.00 0.00 C ATOM 595 CD2 TYR A 762 -0.028 -7.200 -9.223 1.00 0.00 C ATOM 596 CE1 TYR A 762 2.069 -7.136 -10.991 1.00 0.00 C ATOM 597 CE2 TYR A 762 0.109 -8.202 -10.153 1.00 0.00 C ATOM 598 CZ TYR A 762 1.157 -8.164 -11.036 1.00 0.00 C ATOM 599 OH TYR A 762 1.299 -9.160 -11.964 1.00 0.00 O ATOM 0 H TYR A 762 0.412 -6.777 -6.156 1.00 0.00 H new ATOM 0 HA TYR A 762 2.676 -5.298 -7.216 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -0.319 -5.033 -7.785 1.00 0.00 H new ATOM 0 HB3 TYR A 762 0.928 -4.096 -8.585 1.00 0.00 H new ATOM 0 HD1 TYR A 762 2.640 -5.328 -10.028 1.00 0.00 H new ATOM 0 HD2 TYR A 762 -0.856 -7.231 -8.531 1.00 0.00 H new ATOM 0 HE1 TYR A 762 2.896 -7.114 -11.686 1.00 0.00 H new ATOM 0 HE2 TYR A 762 -0.603 -9.013 -10.188 1.00 0.00 H new ATOM 0 HH TYR A 762 0.572 -9.809 -11.861 1.00 0.00 H new ATOM 609 N ASP A 763 1.369 -4.145 -4.702 1.00 0.00 N ATOM 610 CA ASP A 763 1.076 -2.965 -3.841 1.00 0.00 C ATOM 611 C ASP A 763 2.213 -1.955 -3.826 1.00 0.00 C ATOM 612 O ASP A 763 3.383 -2.281 -4.091 1.00 0.00 O ATOM 613 CB ASP A 763 0.782 -3.380 -2.400 1.00 0.00 C ATOM 614 CG ASP A 763 0.191 -2.270 -1.612 1.00 0.00 C ATOM 615 OD1 ASP A 763 -0.990 -2.025 -1.781 1.00 0.00 O ATOM 616 OD2 ASP A 763 0.923 -1.597 -0.878 1.00 0.00 O ATOM 0 H ASP A 763 1.382 -5.040 -4.214 1.00 0.00 H new ATOM 0 HA ASP A 763 0.195 -2.497 -4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 763 0.099 -4.229 -2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 763 1.704 -3.713 -1.923 1.00 0.00 H new ATOM 621 N GLN A 764 1.834 -0.711 -3.608 1.00 0.00 N ATOM 622 CA GLN A 764 2.734 0.409 -3.661 1.00 0.00 C ATOM 623 C GLN A 764 3.707 0.425 -2.489 1.00 0.00 C ATOM 624 O GLN A 764 4.916 0.615 -2.694 1.00 0.00 O ATOM 625 CB GLN A 764 1.935 1.706 -3.694 1.00 0.00 C ATOM 626 CG GLN A 764 0.834 1.752 -4.763 1.00 0.00 C ATOM 627 CD GLN A 764 1.355 1.567 -6.168 1.00 0.00 C ATOM 628 OE1 GLN A 764 2.487 1.938 -6.476 1.00 0.00 O ATOM 629 NE2 GLN A 764 0.544 0.993 -7.028 1.00 0.00 N ATOM 0 H GLN A 764 0.873 -0.453 -3.385 1.00 0.00 H new ATOM 0 HA GLN A 764 3.327 0.313 -4.570 1.00 0.00 H new ATOM 0 HB2 GLN A 764 1.480 1.862 -2.716 1.00 0.00 H new ATOM 0 HB3 GLN A 764 2.621 2.536 -3.862 1.00 0.00 H new ATOM 0 HG2 GLN A 764 0.099 0.976 -4.551 1.00 0.00 H new ATOM 0 HG3 GLN A 764 0.315 2.708 -4.699 1.00 0.00 H new ATOM 0 HE21 GLN A 764 -0.387 0.700 -6.733 1.00 0.00 H new ATOM 0 HE22 GLN A 764 0.846 0.841 -7.990 1.00 0.00 H new ATOM 638 N ASP A 765 3.229 0.175 -1.270 1.00 0.00 N ATOM 639 CA ASP A 765 4.154 0.122 -0.147 1.00 0.00 C ATOM 640 C ASP A 765 4.371 -1.298 0.302 1.00 0.00 C ATOM 641 O ASP A 765 5.171 -1.553 1.192 1.00 0.00 O ATOM 642 CB ASP A 765 3.636 0.946 1.044 1.00 0.00 C ATOM 643 CG ASP A 765 3.603 2.416 0.791 1.00 0.00 C ATOM 644 OD1 ASP A 765 4.638 3.066 0.974 1.00 0.00 O ATOM 645 OD2 ASP A 765 2.550 2.940 0.416 1.00 0.00 O ATOM 0 H ASP A 765 2.248 0.013 -1.043 1.00 0.00 H new ATOM 0 HA ASP A 765 5.098 0.545 -0.490 1.00 0.00 H new ATOM 0 HB2 ASP A 765 2.631 0.608 1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 765 4.267 0.750 1.911 1.00 0.00 H new ATOM 650 N GLY A 766 3.632 -2.222 -0.282 1.00 0.00 N ATOM 651 CA GLY A 766 3.709 -3.613 0.136 1.00 0.00 C ATOM 652 C GLY A 766 2.947 -3.851 1.432 1.00 0.00 C ATOM 653 O GLY A 766 2.895 -4.976 1.937 1.00 0.00 O ATOM 0 H GLY A 766 2.976 -2.039 -1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 766 3.303 -4.252 -0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 766 4.753 -3.896 0.270 1.00 0.00 H new ATOM 657 N ASP A 767 2.389 -2.782 1.985 1.00 0.00 N ATOM 658 CA ASP A 767 1.671 -2.830 3.235 1.00 0.00 C ATOM 659 C ASP A 767 0.195 -2.971 3.023 1.00 0.00 C ATOM 660 O ASP A 767 -0.337 -4.065 3.163 1.00 0.00 O ATOM 661 CB ASP A 767 1.955 -1.584 4.100 1.00 0.00 C ATOM 662 CG ASP A 767 3.321 -1.584 4.687 1.00 0.00 C ATOM 663 OD1 ASP A 767 4.245 -1.076 4.067 1.00 0.00 O ATOM 664 OD2 ASP A 767 3.485 -2.107 5.782 1.00 0.00 O ATOM 0 H ASP A 767 2.427 -1.852 1.568 1.00 0.00 H new ATOM 0 HA ASP A 767 2.030 -3.713 3.764 1.00 0.00 H new ATOM 0 HB2 ASP A 767 1.827 -0.689 3.491 1.00 0.00 H new ATOM 0 HB3 ASP A 767 1.220 -1.531 4.903 1.00 0.00 H new ATOM 669 N GLN A 768 -0.459 -1.827 2.724 1.00 0.00 N ATOM 670 CA GLN A 768 -1.924 -1.710 2.541 1.00 0.00 C ATOM 671 C GLN A 768 -2.695 -2.621 3.533 1.00 0.00 C ATOM 672 O GLN A 768 -3.417 -3.528 3.149 1.00 0.00 O ATOM 673 CB GLN A 768 -2.310 -1.952 1.078 1.00 0.00 C ATOM 674 CG GLN A 768 -3.717 -1.522 0.721 1.00 0.00 C ATOM 675 CD GLN A 768 -3.966 -1.549 -0.763 1.00 0.00 C ATOM 676 OE1 GLN A 768 -4.470 -2.641 -1.271 1.00 0.00 O flip ATOM 677 NE2 GLN A 768 -3.734 -0.561 -1.452 1.00 0.00 N flip ATOM 0 H GLN A 768 0.027 -0.939 2.600 1.00 0.00 H new ATOM 0 HA GLN A 768 -2.222 -0.689 2.779 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -1.607 -1.420 0.437 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -2.201 -3.014 0.857 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -4.432 -2.178 1.219 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -3.893 -0.514 1.098 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -3.340 0.277 -1.025 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -3.935 -0.578 -2.452 1.00 0.00 H new ATOM 686 N GLU A 769 -2.649 -2.200 4.792 1.00 0.00 N ATOM 687 CA GLU A 769 -3.336 -2.782 6.002 1.00 0.00 C ATOM 688 C GLU A 769 -2.579 -2.390 7.274 1.00 0.00 C ATOM 689 O GLU A 769 -2.967 -2.782 8.362 1.00 0.00 O ATOM 690 CB GLU A 769 -3.507 -4.304 6.015 1.00 0.00 C ATOM 691 CG GLU A 769 -4.833 -4.866 5.522 1.00 0.00 C ATOM 692 CD GLU A 769 -4.930 -6.344 5.772 1.00 0.00 C ATOM 693 OE1 GLU A 769 -4.064 -7.088 5.295 1.00 0.00 O ATOM 694 OE2 GLU A 769 -5.840 -6.766 6.497 1.00 0.00 O ATOM 0 H GLU A 769 -2.095 -1.381 5.042 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.340 -2.360 5.958 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -2.712 -4.737 5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -3.354 -4.651 7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -5.655 -4.356 6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -4.939 -4.668 4.455 1.00 0.00 H new ATOM 701 N LEU A 770 -1.483 -1.641 7.143 1.00 0.00 N ATOM 702 CA LEU A 770 -0.695 -1.284 8.317 1.00 0.00 C ATOM 703 C LEU A 770 -0.833 0.172 8.761 1.00 0.00 C ATOM 704 O LEU A 770 -0.966 1.145 7.936 1.00 0.00 O ATOM 705 CB LEU A 770 0.790 -1.706 8.220 1.00 0.00 C ATOM 706 CG LEU A 770 1.088 -3.230 8.238 1.00 0.00 C ATOM 707 CD1 LEU A 770 0.700 -3.919 6.943 1.00 0.00 C ATOM 708 CD2 LEU A 770 2.540 -3.491 8.557 1.00 0.00 C ATOM 0 H LEU A 770 -1.129 -1.279 6.258 1.00 0.00 H new ATOM 0 HA LEU A 770 -1.147 -1.881 9.109 1.00 0.00 H new ATOM 0 HB2 LEU A 770 1.202 -1.290 7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 770 1.329 -1.245 9.048 1.00 0.00 H new ATOM 0 HG LEU A 770 0.468 -3.657 9.026 1.00 0.00 H new ATOM 0 HD11 LEU A 770 0.931 -4.982 7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 770 -0.368 -3.790 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 770 1.258 -3.480 6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 770 2.724 -4.565 8.564 1.00 0.00 H new ATOM 0 HD22 LEU A 770 3.169 -3.020 7.801 1.00 0.00 H new ATOM 0 HD23 LEU A 770 2.778 -3.076 9.537 1.00 0.00 H new ATOM 720 N THR A 771 -0.826 0.323 10.072 1.00 0.00 N ATOM 721 CA THR A 771 -0.976 1.594 10.683 1.00 0.00 C ATOM 722 C THR A 771 0.294 2.008 11.419 1.00 0.00 C ATOM 723 O THR A 771 0.924 1.191 12.115 1.00 0.00 O ATOM 724 CB THR A 771 -2.220 1.600 11.628 1.00 0.00 C ATOM 725 OG1 THR A 771 -2.469 2.884 12.191 1.00 0.00 O ATOM 726 CG2 THR A 771 -2.152 0.613 12.777 1.00 0.00 C ATOM 0 H THR A 771 -0.714 -0.448 10.731 1.00 0.00 H new ATOM 0 HA THR A 771 -1.145 2.334 9.901 1.00 0.00 H new ATOM 0 HB THR A 771 -3.029 1.300 10.962 1.00 0.00 H new ATOM 0 HG1 THR A 771 -3.256 2.839 12.773 1.00 0.00 H new ATOM 0 HG21 THR A 771 -3.059 0.690 13.377 1.00 0.00 H new ATOM 0 HG22 THR A 771 -2.063 -0.399 12.382 1.00 0.00 H new ATOM 0 HG23 THR A 771 -1.285 0.837 13.399 1.00 0.00 H new