USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=11 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= -7.81! C(o=-13!,f=-7.8!) USER MOD Single : A 735 LYS NZ :NH3+ -168:sc= 0.836 (180deg=0.738) USER MOD Single : A 737 ASN :FLIP amide:sc= -0.732 F(o=-2.7!,f=-0.73) USER MOD Single : A 743 GLN :FLIP amide:sc= -0.967 F(o=-2.8!,f=-0.97) USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 748 LYS NZ :NH3+ 157:sc= -0.0296 (180deg=-0.297) 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 79:sc= 0.683 USER MOD Single : A 761 LYS NZ :NH3+ 168:sc= -0.0459 (180deg=-0.215) USER MOD Single : A 762 TYR OH : rot 180:sc= 0 USER MOD Single : A 764 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 768 GLN :FLIP amide:sc= -6.13! C(o=-6.6!,f=-6.1!) USER MOD Single : A 771 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N LEU A 729 -8.744 12.321 3.407 1.00 0.00 N ATOM 69 CA LEU A 729 -9.209 12.055 4.730 1.00 0.00 C ATOM 70 C LEU A 729 -8.069 11.452 5.531 1.00 0.00 C ATOM 71 O LEU A 729 -6.906 11.775 5.324 1.00 0.00 O ATOM 72 CB LEU A 729 -10.437 11.082 4.722 1.00 0.00 C ATOM 73 CG LEU A 729 -11.620 11.384 3.774 1.00 0.00 C ATOM 74 CD1 LEU A 729 -12.025 12.838 3.805 1.00 0.00 C ATOM 75 CD2 LEU A 729 -11.378 10.894 2.353 1.00 0.00 C ATOM 0 HA LEU A 729 -9.538 12.990 5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 729 -10.067 10.085 4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 729 -10.831 11.039 5.738 1.00 0.00 H new ATOM 0 HG LEU A 729 -12.463 10.811 4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 729 -12.859 12.998 3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 729 -12.326 13.110 4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 729 -11.182 13.457 3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 729 -12.242 11.134 1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 729 -10.493 11.382 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 729 -11.226 9.815 2.361 1.00 0.00 H new ATOM 87 N ARG A 730 -8.400 10.478 6.311 1.00 0.00 N ATOM 88 CA ARG A 730 -7.456 9.703 7.056 1.00 0.00 C ATOM 89 C ARG A 730 -6.639 8.819 6.140 1.00 0.00 C ATOM 90 O ARG A 730 -5.457 8.563 6.388 1.00 0.00 O ATOM 91 CB ARG A 730 -8.192 8.873 8.092 1.00 0.00 C ATOM 92 CG ARG A 730 -9.543 8.336 7.654 1.00 0.00 C ATOM 93 CD ARG A 730 -10.106 7.390 8.691 1.00 0.00 C ATOM 94 NE ARG A 730 -11.471 6.996 8.381 1.00 0.00 N ATOM 95 CZ ARG A 730 -11.954 5.757 8.505 1.00 0.00 C ATOM 96 NH1 ARG A 730 -11.130 4.720 8.668 1.00 0.00 N ATOM 97 NH2 ARG A 730 -13.252 5.558 8.387 1.00 0.00 N ATOM 0 H ARG A 730 -9.367 10.187 6.454 1.00 0.00 H new ATOM 0 HA ARG A 730 -6.765 10.377 7.563 1.00 0.00 H new ATOM 0 HB2 ARG A 730 -7.560 8.032 8.375 1.00 0.00 H new ATOM 0 HB3 ARG A 730 -8.334 9.480 8.986 1.00 0.00 H new ATOM 0 HG2 ARG A 730 -10.235 9.164 7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 730 -9.442 7.819 6.700 1.00 0.00 H new ATOM 0 HD2 ARG A 730 -9.477 6.502 8.752 1.00 0.00 H new ATOM 0 HD3 ARG A 730 -10.079 7.867 9.671 1.00 0.00 H new ATOM 0 HE ARG A 730 -12.106 7.719 8.044 1.00 0.00 H new ATOM 0 HH11 ARG A 730 -10.122 4.870 8.699 1.00 0.00 H new ATOM 0 HH12 ARG A 730 -11.509 3.778 8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 730 -13.874 6.345 8.203 1.00 0.00 H new ATOM 0 HH22 ARG A 730 -13.634 4.617 8.479 1.00 0.00 H new ATOM 111 N GLN A 731 -7.291 8.372 5.093 1.00 0.00 N ATOM 112 CA GLN A 731 -6.701 7.552 4.071 1.00 0.00 C ATOM 113 C GLN A 731 -6.057 8.420 3.020 1.00 0.00 C ATOM 114 O GLN A 731 -4.909 8.213 2.634 1.00 0.00 O ATOM 115 CB GLN A 731 -7.785 6.666 3.438 1.00 0.00 C ATOM 116 CG GLN A 731 -7.331 5.899 2.200 1.00 0.00 C ATOM 117 CD GLN A 731 -6.101 5.069 2.431 1.00 0.00 C ATOM 118 OE1 GLN A 731 -6.045 4.468 3.572 1.00 0.00 O flip ATOM 119 NE2 GLN A 731 -5.275 4.893 1.542 1.00 0.00 N flip ATOM 0 H GLN A 731 -8.276 8.577 4.927 1.00 0.00 H new ATOM 0 HA GLN A 731 -5.934 6.917 4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 731 -8.135 5.952 4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 731 -8.637 7.291 3.171 1.00 0.00 H new ATOM 0 HG2 GLN A 731 -8.141 5.250 1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 731 -7.137 6.607 1.394 1.00 0.00 H new ATOM 0 HE21 GLN A 731 -5.364 5.393 0.657 1.00 0.00 H new ATOM 0 HE22 GLN A 731 -4.499 4.247 1.687 1.00 0.00 H new ATOM 128 N GLY A 732 -6.826 9.390 2.547 1.00 0.00 N ATOM 129 CA GLY A 732 -6.361 10.283 1.506 1.00 0.00 C ATOM 130 C GLY A 732 -5.179 11.121 1.932 1.00 0.00 C ATOM 131 O GLY A 732 -4.442 11.628 1.095 1.00 0.00 O ATOM 0 H GLY A 732 -7.775 9.576 2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 732 -6.087 9.698 0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 732 -7.177 10.941 1.208 1.00 0.00 H new ATOM 135 N GLY A 733 -4.985 11.242 3.225 1.00 0.00 N ATOM 136 CA GLY A 733 -3.867 11.977 3.733 1.00 0.00 C ATOM 137 C GLY A 733 -3.459 11.476 5.083 1.00 0.00 C ATOM 138 O GLY A 733 -3.792 12.092 6.094 1.00 0.00 O ATOM 0 H GLY A 733 -5.591 10.838 3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 733 -3.028 11.892 3.042 1.00 0.00 H new ATOM 0 HA3 GLY A 733 -4.122 13.035 3.796 1.00 0.00 H new ATOM 142 N GLY A 734 -2.768 10.348 5.124 1.00 0.00 N ATOM 143 CA GLY A 734 -2.365 9.812 6.398 1.00 0.00 C ATOM 144 C GLY A 734 -1.653 8.480 6.323 1.00 0.00 C ATOM 145 O GLY A 734 -0.426 8.424 6.371 1.00 0.00 O ATOM 0 H GLY A 734 -2.484 9.804 4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 734 -1.711 10.532 6.890 1.00 0.00 H new ATOM 0 HA3 GLY A 734 -3.248 9.702 7.027 1.00 0.00 H new ATOM 149 N LYS A 735 -2.402 7.397 6.250 1.00 0.00 N ATOM 150 CA LYS A 735 -1.811 6.061 6.254 1.00 0.00 C ATOM 151 C LYS A 735 -2.570 5.191 5.317 1.00 0.00 C ATOM 152 O LYS A 735 -3.710 5.513 4.990 1.00 0.00 O ATOM 153 CB LYS A 735 -1.765 5.441 7.681 1.00 0.00 C ATOM 154 CG LYS A 735 -3.108 4.954 8.312 1.00 0.00 C ATOM 155 CD LYS A 735 -4.199 6.016 8.377 1.00 0.00 C ATOM 156 CE LYS A 735 -3.799 7.223 9.237 1.00 0.00 C ATOM 157 NZ LYS A 735 -4.848 8.256 9.235 1.00 0.00 N ATOM 0 H LYS A 735 -3.420 7.409 6.187 1.00 0.00 H new ATOM 0 HA LYS A 735 -0.776 6.142 5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 735 -1.081 4.592 7.655 1.00 0.00 H new ATOM 0 HB3 LYS A 735 -1.329 6.181 8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 735 -3.478 4.106 7.736 1.00 0.00 H new ATOM 0 HG3 LYS A 735 -2.910 4.592 9.321 1.00 0.00 H new ATOM 0 HD2 LYS A 735 -4.431 6.355 7.367 1.00 0.00 H new ATOM 0 HD3 LYS A 735 -5.109 5.572 8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 735 -3.610 6.896 10.260 1.00 0.00 H new ATOM 0 HE3 LYS A 735 -2.868 7.647 8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 -4.473 9.133 9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 -5.154 8.438 8.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 -5.660 7.928 9.796 1.00 0.00 H new ATOM 171 N LEU A 736 -2.008 4.072 4.906 1.00 0.00 N ATOM 172 CA LEU A 736 -2.774 3.240 4.026 1.00 0.00 C ATOM 173 C LEU A 736 -3.013 1.942 4.659 1.00 0.00 C ATOM 174 O LEU A 736 -2.078 1.235 4.961 1.00 0.00 O ATOM 175 CB LEU A 736 -2.069 2.984 2.685 1.00 0.00 C ATOM 176 CG LEU A 736 -1.912 4.171 1.690 1.00 0.00 C ATOM 177 CD1 LEU A 736 -0.927 5.222 2.172 1.00 0.00 C ATOM 178 CD2 LEU A 736 -1.508 3.669 0.318 1.00 0.00 C ATOM 0 H LEU A 736 -1.077 3.738 5.154 1.00 0.00 H new ATOM 0 HA LEU A 736 -3.706 3.771 3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -1.072 2.600 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -2.612 2.190 2.171 1.00 0.00 H new ATOM 0 HG LEU A 736 -2.888 4.653 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -0.861 6.023 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -1.267 5.630 3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 736 0.055 4.767 2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -1.404 4.514 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -0.557 3.141 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -2.272 2.991 -0.061 1.00 0.00 H new ATOM 190 N ASN A 737 -4.235 1.506 4.707 1.00 0.00 N ATOM 191 CA ASN A 737 -4.470 0.169 5.196 1.00 0.00 C ATOM 192 C ASN A 737 -5.345 -0.514 4.206 1.00 0.00 C ATOM 193 O ASN A 737 -5.808 0.135 3.409 1.00 0.00 O ATOM 194 CB ASN A 737 -5.123 0.046 6.618 1.00 0.00 C ATOM 195 CG ASN A 737 -4.579 0.904 7.705 1.00 0.00 C ATOM 196 OD1 ASN A 737 -3.434 1.349 7.545 1.00 0.00 O flip ATOM 197 ND2 ASN A 737 -5.260 1.204 8.661 1.00 0.00 N flip ATOM 0 H ASN A 737 -5.064 2.030 4.426 1.00 0.00 H new ATOM 0 HA ASN A 737 -3.486 -0.286 5.311 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -6.186 0.264 6.519 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -5.039 -0.993 6.937 1.00 0.00 H new ATOM 0 HD21 ASN A 737 -6.199 0.818 8.760 1.00 0.00 H new ATOM 0 HD22 ASN A 737 -4.894 1.843 9.367 1.00 0.00 H new ATOM 204 N PHE A 738 -5.490 -1.837 4.187 1.00 0.00 N ATOM 205 CA PHE A 738 -6.415 -2.456 3.225 1.00 0.00 C ATOM 206 C PHE A 738 -7.806 -1.839 3.430 1.00 0.00 C ATOM 207 O PHE A 738 -8.348 -1.182 2.551 1.00 0.00 O ATOM 208 CB PHE A 738 -6.519 -3.989 3.426 1.00 0.00 C ATOM 209 CG PHE A 738 -7.405 -4.621 2.397 1.00 0.00 C ATOM 210 CD1 PHE A 738 -8.779 -4.686 2.567 1.00 0.00 C ATOM 211 CD2 PHE A 738 -6.871 -5.080 1.236 1.00 0.00 C ATOM 212 CE1 PHE A 738 -9.574 -5.189 1.580 1.00 0.00 C ATOM 213 CE2 PHE A 738 -7.659 -5.598 0.255 1.00 0.00 C ATOM 214 CZ PHE A 738 -9.007 -5.644 0.423 1.00 0.00 C ATOM 0 H PHE A 738 -5.000 -2.487 4.802 1.00 0.00 H new ATOM 0 HA PHE A 738 -6.037 -2.273 2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -5.524 -4.432 3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -6.909 -4.200 4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -9.223 -4.336 3.487 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -5.802 -5.033 1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -10.645 -5.228 1.712 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -7.214 -5.972 -0.655 1.00 0.00 H new ATOM 0 HZ PHE A 738 -9.633 -6.042 -0.362 1.00 0.00 H new ATOM 224 N ASP A 739 -8.325 -2.026 4.634 1.00 0.00 N ATOM 225 CA ASP A 739 -9.610 -1.480 5.065 1.00 0.00 C ATOM 226 C ASP A 739 -9.596 0.049 5.120 1.00 0.00 C ATOM 227 O ASP A 739 -10.616 0.701 4.900 1.00 0.00 O ATOM 228 CB ASP A 739 -10.030 -2.059 6.408 1.00 0.00 C ATOM 229 CG ASP A 739 -11.445 -1.727 6.741 1.00 0.00 C ATOM 230 OD1 ASP A 739 -12.338 -2.391 6.218 1.00 0.00 O ATOM 231 OD2 ASP A 739 -11.677 -0.811 7.517 1.00 0.00 O ATOM 0 H ASP A 739 -7.857 -2.573 5.357 1.00 0.00 H new ATOM 0 HA ASP A 739 -10.345 -1.774 4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -9.906 -3.142 6.391 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -9.374 -1.675 7.189 1.00 0.00 H new ATOM 236 N GLU A 740 -8.434 0.623 5.414 1.00 0.00 N ATOM 237 CA GLU A 740 -8.331 2.083 5.484 1.00 0.00 C ATOM 238 C GLU A 740 -8.247 2.621 4.077 1.00 0.00 C ATOM 239 O GLU A 740 -8.776 3.677 3.780 1.00 0.00 O ATOM 240 CB GLU A 740 -7.157 2.538 6.397 1.00 0.00 C ATOM 241 CG GLU A 740 -6.939 4.047 6.637 1.00 0.00 C ATOM 242 CD GLU A 740 -8.120 4.769 7.180 1.00 0.00 C ATOM 243 OE1 GLU A 740 -8.286 4.812 8.415 1.00 0.00 O ATOM 244 OE2 GLU A 740 -8.874 5.311 6.392 1.00 0.00 O ATOM 0 H GLU A 740 -7.568 0.118 5.604 1.00 0.00 H new ATOM 0 HA GLU A 740 -9.220 2.500 5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -7.295 2.066 7.370 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -6.236 2.135 5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 740 -6.104 4.174 7.327 1.00 0.00 H new ATOM 0 HG3 GLU A 740 -6.648 4.512 5.695 1.00 0.00 H new ATOM 251 N LEU A 741 -7.616 1.860 3.180 1.00 0.00 N ATOM 252 CA LEU A 741 -7.501 2.262 1.749 1.00 0.00 C ATOM 253 C LEU A 741 -8.861 2.513 1.110 1.00 0.00 C ATOM 254 O LEU A 741 -8.966 3.244 0.133 1.00 0.00 O ATOM 255 CB LEU A 741 -6.849 1.167 0.933 1.00 0.00 C ATOM 256 CG LEU A 741 -6.793 1.427 -0.582 1.00 0.00 C ATOM 257 CD1 LEU A 741 -5.617 2.299 -0.977 1.00 0.00 C ATOM 258 CD2 LEU A 741 -6.874 0.167 -1.396 1.00 0.00 C ATOM 0 H LEU A 741 -7.176 0.967 3.402 1.00 0.00 H new ATOM 0 HA LEU A 741 -6.907 3.176 1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.833 1.019 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.389 0.236 1.106 1.00 0.00 H new ATOM 0 HG LEU A 741 -7.692 1.995 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -5.624 2.452 -2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -5.693 3.263 -0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -4.687 1.810 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -6.830 0.415 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -6.039 -0.485 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -7.812 -0.345 -1.182 1.00 0.00 H new ATOM 270 N ARG A 742 -9.870 1.843 1.603 1.00 0.00 N ATOM 271 CA ARG A 742 -11.171 1.889 1.051 1.00 0.00 C ATOM 272 C ARG A 742 -11.688 3.238 1.131 1.00 0.00 C ATOM 273 O ARG A 742 -12.243 3.661 0.247 1.00 0.00 O ATOM 274 CB ARG A 742 -12.102 0.951 1.793 1.00 0.00 C ATOM 275 CG ARG A 742 -11.458 -0.359 2.093 1.00 0.00 C ATOM 276 CD ARG A 742 -11.067 -1.126 0.817 1.00 0.00 C ATOM 277 NE ARG A 742 -11.913 -2.295 0.599 1.00 0.00 N ATOM 278 CZ ARG A 742 -12.765 -2.469 -0.429 1.00 0.00 C ATOM 279 NH1 ARG A 742 -12.915 -1.530 -1.394 1.00 0.00 N ATOM 280 NH2 ARG A 742 -13.441 -3.585 -0.499 1.00 0.00 N ATOM 0 H ARG A 742 -9.793 1.239 2.421 1.00 0.00 H new ATOM 0 HA ARG A 742 -11.114 1.576 0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -12.421 1.419 2.724 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -12.999 0.785 1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -10.569 -0.193 2.701 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -12.140 -0.969 2.686 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -11.141 -0.460 -0.043 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -10.026 -1.441 0.888 1.00 0.00 H new ATOM 0 HE ARG A 742 -11.854 -3.047 1.286 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -12.375 -0.665 -1.353 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -13.568 -1.688 -2.162 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -13.317 -4.302 0.216 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -14.092 -3.739 -1.269 1.00 0.00 H new ATOM 294 N GLN A 743 -11.383 3.952 2.183 1.00 0.00 N ATOM 295 CA GLN A 743 -11.889 5.361 2.332 1.00 0.00 C ATOM 296 C GLN A 743 -11.538 6.263 1.179 1.00 0.00 C ATOM 297 O GLN A 743 -12.240 7.229 0.873 1.00 0.00 O ATOM 298 CB GLN A 743 -11.419 5.999 3.589 1.00 0.00 C ATOM 299 CG GLN A 743 -12.244 5.658 4.792 1.00 0.00 C ATOM 300 CD GLN A 743 -12.171 4.225 5.261 1.00 0.00 C ATOM 301 OE1 GLN A 743 -11.017 3.667 5.206 1.00 0.00 O flip ATOM 302 NE2 GLN A 743 -13.146 3.675 5.757 1.00 0.00 N flip ATOM 0 H GLN A 743 -10.802 3.623 2.954 1.00 0.00 H new ATOM 0 HA GLN A 743 -12.973 5.248 2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -10.387 5.700 3.772 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -11.418 7.081 3.457 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -11.936 6.304 5.614 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -13.285 5.895 4.573 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -14.046 4.155 5.780 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -13.059 2.737 6.147 1.00 0.00 H new ATOM 311 N ASP A 744 -10.507 5.908 0.553 1.00 0.00 N ATOM 312 CA ASP A 744 -10.012 6.600 -0.645 1.00 0.00 C ATOM 313 C ASP A 744 -10.878 6.233 -1.839 1.00 0.00 C ATOM 314 O ASP A 744 -11.365 7.095 -2.587 1.00 0.00 O ATOM 315 CB ASP A 744 -8.634 6.102 -0.962 1.00 0.00 C ATOM 316 CG ASP A 744 -7.777 7.112 -1.622 1.00 0.00 C ATOM 317 OD1 ASP A 744 -7.859 7.252 -2.844 1.00 0.00 O ATOM 318 OD2 ASP A 744 -6.999 7.770 -0.929 1.00 0.00 O ATOM 0 H ASP A 744 -9.934 5.111 0.830 1.00 0.00 H new ATOM 0 HA ASP A 744 -10.025 7.674 -0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 744 -8.153 5.776 -0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 744 -8.712 5.227 -1.607 1.00 0.00 H new ATOM 323 N LEU A 745 -10.978 4.941 -2.057 1.00 0.00 N ATOM 324 CA LEU A 745 -11.668 4.384 -3.200 1.00 0.00 C ATOM 325 C LEU A 745 -12.828 3.454 -2.827 1.00 0.00 C ATOM 326 O LEU A 745 -12.893 2.331 -3.323 1.00 0.00 O ATOM 327 CB LEU A 745 -10.644 3.686 -4.140 1.00 0.00 C ATOM 328 CG LEU A 745 -9.483 2.866 -3.477 1.00 0.00 C ATOM 329 CD1 LEU A 745 -9.970 1.662 -2.682 1.00 0.00 C ATOM 330 CD2 LEU A 745 -8.480 2.427 -4.521 1.00 0.00 C ATOM 0 H LEU A 745 -10.577 4.237 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 745 -12.136 5.213 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.196 3.014 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -10.195 4.451 -4.773 1.00 0.00 H new ATOM 0 HG LEU A 745 -9.004 3.539 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.115 1.141 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -10.631 1.997 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.512 0.985 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -7.682 1.859 -4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -8.977 1.801 -5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -8.058 3.304 -5.012 1.00 0.00 H new ATOM 342 N LYS A 746 -13.674 3.876 -1.869 1.00 0.00 N ATOM 343 CA LYS A 746 -14.777 2.993 -1.369 1.00 0.00 C ATOM 344 C LYS A 746 -15.617 2.439 -2.509 1.00 0.00 C ATOM 345 O LYS A 746 -16.016 3.174 -3.438 1.00 0.00 O ATOM 346 CB LYS A 746 -15.662 3.632 -0.268 1.00 0.00 C ATOM 347 CG LYS A 746 -14.902 4.021 1.020 1.00 0.00 C ATOM 348 CD LYS A 746 -15.829 4.421 2.167 1.00 0.00 C ATOM 349 CE LYS A 746 -16.634 5.684 1.850 1.00 0.00 C ATOM 350 NZ LYS A 746 -17.494 6.088 2.983 1.00 0.00 N ATOM 0 H LYS A 746 -13.630 4.794 -1.428 1.00 0.00 H new ATOM 0 HA LYS A 746 -14.271 2.160 -0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -16.140 4.523 -0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -16.458 2.934 -0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -14.283 3.181 1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -14.228 4.849 0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -16.514 3.600 2.381 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -15.238 4.586 3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -15.951 6.497 1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -17.252 5.509 0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -18.022 6.947 2.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -18.163 5.322 3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -16.903 6.280 3.817 1.00 0.00 H new ATOM 364 N GLY A 747 -15.709 1.134 -2.530 1.00 0.00 N ATOM 365 CA GLY A 747 -16.274 0.445 -3.643 1.00 0.00 C ATOM 366 C GLY A 747 -15.138 0.000 -4.511 1.00 0.00 C ATOM 367 O GLY A 747 -14.239 -0.714 -4.017 1.00 0.00 O ATOM 0 H GLY A 747 -15.393 0.527 -1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -16.861 -0.411 -3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -16.949 1.097 -4.197 1.00 0.00 H new ATOM 371 N LYS A 748 -15.087 0.526 -5.744 1.00 0.00 N ATOM 372 CA LYS A 748 -13.987 0.299 -6.695 1.00 0.00 C ATOM 373 C LYS A 748 -13.836 -1.164 -7.151 1.00 0.00 C ATOM 374 O LYS A 748 -14.075 -1.469 -8.313 1.00 0.00 O ATOM 375 CB LYS A 748 -12.656 0.977 -6.200 1.00 0.00 C ATOM 376 CG LYS A 748 -11.395 0.674 -7.011 1.00 0.00 C ATOM 377 CD LYS A 748 -10.630 -0.532 -6.458 1.00 0.00 C ATOM 378 CE LYS A 748 -10.183 -1.463 -7.588 1.00 0.00 C ATOM 379 NZ LYS A 748 -9.421 -0.752 -8.638 1.00 0.00 N ATOM 0 H LYS A 748 -15.820 1.131 -6.115 1.00 0.00 H new ATOM 0 HA LYS A 748 -14.260 0.807 -7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -12.805 2.057 -6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -12.480 0.672 -5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -11.669 0.484 -8.049 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -10.744 1.548 -7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -9.760 -0.190 -5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -11.263 -1.080 -5.760 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -9.567 -2.262 -7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -11.059 -1.934 -8.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -8.823 -1.430 -9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -10.082 -0.301 -9.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -8.821 -0.025 -8.199 1.00 0.00 H new ATOM 393 N GLY A 749 -13.475 -2.053 -6.256 1.00 0.00 N ATOM 394 CA GLY A 749 -13.338 -3.444 -6.621 1.00 0.00 C ATOM 395 C GLY A 749 -14.608 -4.187 -6.387 1.00 0.00 C ATOM 396 O GLY A 749 -15.480 -3.705 -5.655 1.00 0.00 O ATOM 0 H GLY A 749 -13.272 -1.842 -5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -13.056 -3.522 -7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -12.535 -3.898 -6.041 1.00 0.00 H new ATOM 400 N HIS A 750 -14.750 -5.334 -6.996 1.00 0.00 N ATOM 401 CA HIS A 750 -15.968 -6.118 -6.822 1.00 0.00 C ATOM 402 C HIS A 750 -15.962 -6.852 -5.503 1.00 0.00 C ATOM 403 O HIS A 750 -16.962 -6.846 -4.781 1.00 0.00 O ATOM 404 CB HIS A 750 -16.184 -7.083 -7.979 1.00 0.00 C ATOM 405 CG HIS A 750 -16.388 -6.394 -9.287 1.00 0.00 C ATOM 406 ND1 HIS A 750 -15.698 -6.729 -10.423 1.00 0.00 N ATOM 407 CD2 HIS A 750 -17.201 -5.362 -9.630 1.00 0.00 C ATOM 408 CE1 HIS A 750 -16.067 -5.936 -11.412 1.00 0.00 C ATOM 409 NE2 HIS A 750 -16.983 -5.096 -10.955 1.00 0.00 N ATOM 0 H HIS A 750 -14.053 -5.752 -7.612 1.00 0.00 H new ATOM 0 HA HIS A 750 -16.804 -5.419 -6.815 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -15.323 -7.747 -8.056 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -17.051 -7.708 -7.766 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -17.891 -4.847 -8.979 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -15.686 -5.967 -12.422 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -17.449 -4.371 -11.500 1.00 0.00 H new ATOM 418 N THR A 751 -14.832 -7.430 -5.162 1.00 0.00 N ATOM 419 CA THR A 751 -14.684 -8.107 -3.896 1.00 0.00 C ATOM 420 C THR A 751 -13.349 -7.662 -3.290 1.00 0.00 C ATOM 421 O THR A 751 -12.451 -7.224 -4.028 1.00 0.00 O ATOM 422 CB THR A 751 -14.650 -9.633 -4.112 1.00 0.00 C ATOM 423 OG1 THR A 751 -15.525 -10.041 -5.158 1.00 0.00 O ATOM 424 CG2 THR A 751 -15.047 -10.428 -2.885 1.00 0.00 C ATOM 0 H THR A 751 -13.998 -7.444 -5.749 1.00 0.00 H new ATOM 0 HA THR A 751 -15.519 -7.864 -3.239 1.00 0.00 H new ATOM 0 HB THR A 751 -13.609 -9.840 -4.361 1.00 0.00 H new ATOM 0 HG1 THR A 751 -15.474 -11.014 -5.266 1.00 0.00 H new ATOM 0 HG21 THR A 751 -15.000 -11.493 -3.111 1.00 0.00 H new ATOM 0 HG22 THR A 751 -14.364 -10.200 -2.067 1.00 0.00 H new ATOM 0 HG23 THR A 751 -16.063 -10.163 -2.593 1.00 0.00 H new ATOM 432 N ASP A 752 -13.191 -7.813 -1.976 1.00 0.00 N ATOM 433 CA ASP A 752 -11.928 -7.470 -1.298 1.00 0.00 C ATOM 434 C ASP A 752 -10.804 -8.346 -1.770 1.00 0.00 C ATOM 435 O ASP A 752 -9.688 -7.889 -1.878 1.00 0.00 O ATOM 436 CB ASP A 752 -12.052 -7.557 0.223 1.00 0.00 C ATOM 437 CG ASP A 752 -13.037 -6.590 0.786 1.00 0.00 C ATOM 438 OD1 ASP A 752 -14.225 -6.910 0.810 1.00 0.00 O ATOM 439 OD2 ASP A 752 -12.641 -5.504 1.204 1.00 0.00 O ATOM 0 H ASP A 752 -13.917 -8.170 -1.355 1.00 0.00 H new ATOM 0 HA ASP A 752 -11.704 -6.436 -1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -12.347 -8.569 0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -11.076 -7.375 0.672 1.00 0.00 H new ATOM 444 N ALA A 753 -11.120 -9.604 -2.096 1.00 0.00 N ATOM 445 CA ALA A 753 -10.126 -10.559 -2.611 1.00 0.00 C ATOM 446 C ALA A 753 -9.494 -10.064 -3.911 1.00 0.00 C ATOM 447 O ALA A 753 -8.326 -10.321 -4.177 1.00 0.00 O ATOM 448 CB ALA A 753 -10.749 -11.930 -2.824 1.00 0.00 C ATOM 0 H ALA A 753 -12.061 -9.988 -2.013 1.00 0.00 H new ATOM 0 HA ALA A 753 -9.340 -10.643 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -9.994 -12.618 -3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -11.136 -12.305 -1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -11.564 -11.851 -3.543 1.00 0.00 H new ATOM 454 N GLU A 754 -10.273 -9.346 -4.709 1.00 0.00 N ATOM 455 CA GLU A 754 -9.790 -8.779 -5.967 1.00 0.00 C ATOM 456 C GLU A 754 -8.736 -7.713 -5.714 1.00 0.00 C ATOM 457 O GLU A 754 -7.717 -7.652 -6.408 1.00 0.00 O ATOM 458 CB GLU A 754 -10.951 -8.191 -6.777 1.00 0.00 C ATOM 459 CG GLU A 754 -12.039 -9.196 -7.107 1.00 0.00 C ATOM 460 CD GLU A 754 -11.511 -10.347 -7.880 1.00 0.00 C ATOM 461 OE1 GLU A 754 -11.372 -10.228 -9.106 1.00 0.00 O ATOM 462 OE2 GLU A 754 -11.195 -11.367 -7.267 1.00 0.00 O ATOM 0 H GLU A 754 -11.251 -9.140 -4.507 1.00 0.00 H new ATOM 0 HA GLU A 754 -9.334 -9.584 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -11.390 -7.365 -6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -10.560 -7.775 -7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -12.493 -9.556 -6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -12.826 -8.705 -7.679 1.00 0.00 H new ATOM 469 N ILE A 755 -8.980 -6.899 -4.702 1.00 0.00 N ATOM 470 CA ILE A 755 -8.075 -5.831 -4.320 1.00 0.00 C ATOM 471 C ILE A 755 -6.871 -6.415 -3.584 1.00 0.00 C ATOM 472 O ILE A 755 -5.735 -5.969 -3.764 1.00 0.00 O ATOM 473 CB ILE A 755 -8.803 -4.772 -3.447 1.00 0.00 C ATOM 474 CG1 ILE A 755 -10.064 -4.291 -4.173 1.00 0.00 C ATOM 475 CG2 ILE A 755 -7.890 -3.577 -3.154 1.00 0.00 C ATOM 476 CD1 ILE A 755 -10.830 -3.237 -3.421 1.00 0.00 C ATOM 0 H ILE A 755 -9.815 -6.961 -4.120 1.00 0.00 H new ATOM 0 HA ILE A 755 -7.724 -5.327 -5.221 1.00 0.00 H new ATOM 0 HB ILE A 755 -9.074 -5.235 -2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -9.782 -3.896 -5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -10.718 -5.145 -4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -8.425 -2.852 -2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -7.003 -3.919 -2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -7.591 -3.109 -4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -11.709 -2.946 -3.996 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -11.143 -3.634 -2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -10.193 -2.366 -3.266 1.00 0.00 H new ATOM 488 N GLU A 756 -7.135 -7.418 -2.771 1.00 0.00 N ATOM 489 CA GLU A 756 -6.119 -8.109 -2.004 1.00 0.00 C ATOM 490 C GLU A 756 -5.087 -8.767 -2.930 1.00 0.00 C ATOM 491 O GLU A 756 -3.881 -8.776 -2.649 1.00 0.00 O ATOM 492 CB GLU A 756 -6.803 -9.112 -1.062 1.00 0.00 C ATOM 493 CG GLU A 756 -5.898 -9.825 -0.079 1.00 0.00 C ATOM 494 CD GLU A 756 -6.679 -10.466 1.006 1.00 0.00 C ATOM 495 OE1 GLU A 756 -7.376 -11.452 0.737 1.00 0.00 O ATOM 496 OE2 GLU A 756 -6.639 -9.959 2.132 1.00 0.00 O ATOM 0 H GLU A 756 -8.076 -7.781 -2.623 1.00 0.00 H new ATOM 0 HA GLU A 756 -5.562 -7.399 -1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -7.573 -8.584 -0.499 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -7.310 -9.862 -1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -5.312 -10.580 -0.603 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -5.192 -9.114 0.350 1.00 0.00 H new ATOM 503 N ALA A 757 -5.553 -9.235 -4.057 1.00 0.00 N ATOM 504 CA ALA A 757 -4.674 -9.815 -5.066 1.00 0.00 C ATOM 505 C ALA A 757 -3.792 -8.754 -5.728 1.00 0.00 C ATOM 506 O ALA A 757 -2.602 -8.974 -5.954 1.00 0.00 O ATOM 507 CB ALA A 757 -5.483 -10.554 -6.123 1.00 0.00 C ATOM 0 H ALA A 757 -6.541 -9.231 -4.311 1.00 0.00 H new ATOM 0 HA ALA A 757 -4.021 -10.524 -4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -4.808 -10.979 -6.866 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -6.054 -11.354 -5.651 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -6.167 -9.859 -6.610 1.00 0.00 H new ATOM 513 N ILE A 758 -4.395 -7.632 -6.097 1.00 0.00 N ATOM 514 CA ILE A 758 -3.683 -6.590 -6.823 1.00 0.00 C ATOM 515 C ILE A 758 -2.655 -5.828 -5.952 1.00 0.00 C ATOM 516 O ILE A 758 -1.540 -5.565 -6.417 1.00 0.00 O ATOM 517 CB ILE A 758 -4.692 -5.649 -7.646 1.00 0.00 C ATOM 518 CG1 ILE A 758 -4.018 -4.523 -8.478 1.00 0.00 C ATOM 519 CG2 ILE A 758 -5.757 -5.047 -6.763 1.00 0.00 C ATOM 520 CD1 ILE A 758 -3.580 -3.297 -7.686 1.00 0.00 C ATOM 0 H ILE A 758 -5.374 -7.421 -5.906 1.00 0.00 H new ATOM 0 HA ILE A 758 -3.065 -7.084 -7.572 1.00 0.00 H new ATOM 0 HB ILE A 758 -5.145 -6.334 -8.362 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -3.146 -4.940 -8.982 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -4.713 -4.203 -9.255 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -6.415 -4.419 -7.363 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -6.339 -5.844 -6.300 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -5.287 -4.443 -5.987 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -3.122 -2.573 -8.360 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -4.447 -2.846 -7.204 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -2.856 -3.594 -6.927 1.00 0.00 H new ATOM 532 N PHE A 759 -3.020 -5.464 -4.708 1.00 0.00 N ATOM 533 CA PHE A 759 -2.106 -4.665 -3.855 1.00 0.00 C ATOM 534 C PHE A 759 -0.826 -5.381 -3.535 1.00 0.00 C ATOM 535 O PHE A 759 0.190 -4.740 -3.288 1.00 0.00 O ATOM 536 CB PHE A 759 -2.751 -4.147 -2.558 1.00 0.00 C ATOM 537 CG PHE A 759 -2.788 -5.077 -1.354 1.00 0.00 C ATOM 538 CD1 PHE A 759 -1.699 -5.175 -0.497 1.00 0.00 C ATOM 539 CD2 PHE A 759 -3.905 -5.799 -1.058 1.00 0.00 C ATOM 540 CE1 PHE A 759 -1.740 -5.983 0.616 1.00 0.00 C ATOM 541 CE2 PHE A 759 -3.948 -6.617 0.065 1.00 0.00 C ATOM 542 CZ PHE A 759 -2.865 -6.704 0.896 1.00 0.00 C ATOM 0 H PHE A 759 -3.914 -5.700 -4.276 1.00 0.00 H new ATOM 0 HA PHE A 759 -1.872 -3.797 -4.471 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -2.223 -3.240 -2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -3.777 -3.859 -2.788 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -0.805 -4.607 -0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -4.768 -5.735 -1.704 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -0.882 -6.047 1.268 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -4.840 -7.186 0.282 1.00 0.00 H new ATOM 0 HZ PHE A 759 -2.900 -7.339 1.769 1.00 0.00 H new ATOM 552 N THR A 760 -0.883 -6.701 -3.462 1.00 0.00 N ATOM 553 CA THR A 760 0.293 -7.469 -3.078 1.00 0.00 C ATOM 554 C THR A 760 1.470 -7.185 -4.035 1.00 0.00 C ATOM 555 O THR A 760 2.593 -6.964 -3.595 1.00 0.00 O ATOM 556 CB THR A 760 -0.048 -8.969 -3.029 1.00 0.00 C ATOM 557 OG1 THR A 760 -1.089 -9.222 -2.093 1.00 0.00 O ATOM 558 CG2 THR A 760 1.125 -9.854 -2.635 1.00 0.00 C ATOM 0 H THR A 760 -1.715 -7.257 -3.660 1.00 0.00 H new ATOM 0 HA THR A 760 0.605 -7.161 -2.080 1.00 0.00 H new ATOM 0 HB THR A 760 -0.348 -9.216 -4.047 1.00 0.00 H new ATOM 0 HG1 THR A 760 -1.952 -8.982 -2.491 1.00 0.00 H new ATOM 0 HG21 THR A 760 0.806 -10.896 -2.623 1.00 0.00 H new ATOM 0 HG22 THR A 760 1.933 -9.730 -3.356 1.00 0.00 H new ATOM 0 HG23 THR A 760 1.478 -9.571 -1.643 1.00 0.00 H new ATOM 566 N LYS A 761 1.195 -7.096 -5.316 1.00 0.00 N ATOM 567 CA LYS A 761 2.237 -6.750 -6.267 1.00 0.00 C ATOM 568 C LYS A 761 2.310 -5.241 -6.552 1.00 0.00 C ATOM 569 O LYS A 761 3.389 -4.703 -6.749 1.00 0.00 O ATOM 570 CB LYS A 761 2.090 -7.516 -7.608 1.00 0.00 C ATOM 571 CG LYS A 761 2.385 -9.033 -7.580 1.00 0.00 C ATOM 572 CD LYS A 761 1.406 -9.840 -6.739 1.00 0.00 C ATOM 573 CE LYS A 761 1.713 -11.339 -6.815 1.00 0.00 C ATOM 574 NZ LYS A 761 3.101 -11.655 -6.386 1.00 0.00 N ATOM 0 H LYS A 761 0.274 -7.255 -5.724 1.00 0.00 H new ATOM 0 HA LYS A 761 3.167 -7.054 -5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 761 1.072 -7.375 -7.970 1.00 0.00 H new ATOM 0 HB3 LYS A 761 2.755 -7.054 -8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 761 2.371 -9.414 -8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 761 3.393 -9.189 -7.196 1.00 0.00 H new ATOM 0 HD2 LYS A 761 1.455 -9.509 -5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 761 0.389 -9.657 -7.085 1.00 0.00 H new ATOM 0 HE2 LYS A 761 1.008 -11.884 -6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 761 1.563 -11.687 -7.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 3.200 -12.683 -6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 3.771 -11.330 -7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 3.304 -11.174 -5.487 1.00 0.00 H new ATOM 588 N TYR A 762 1.153 -4.628 -6.776 1.00 0.00 N ATOM 589 CA TYR A 762 1.098 -3.262 -7.321 1.00 0.00 C ATOM 590 C TYR A 762 0.973 -2.108 -6.325 1.00 0.00 C ATOM 591 O TYR A 762 0.925 -0.958 -6.762 1.00 0.00 O ATOM 592 CB TYR A 762 0.023 -3.154 -8.393 1.00 0.00 C ATOM 593 CG TYR A 762 0.185 -4.167 -9.496 1.00 0.00 C ATOM 594 CD1 TYR A 762 1.087 -3.964 -10.526 1.00 0.00 C ATOM 595 CD2 TYR A 762 -0.560 -5.338 -9.497 1.00 0.00 C ATOM 596 CE1 TYR A 762 1.238 -4.899 -11.526 1.00 0.00 C ATOM 597 CE2 TYR A 762 -0.416 -6.275 -10.489 1.00 0.00 C ATOM 598 CZ TYR A 762 0.486 -6.052 -11.499 1.00 0.00 C ATOM 599 OH TYR A 762 0.632 -6.980 -12.488 1.00 0.00 O ATOM 0 H TYR A 762 0.241 -5.046 -6.592 1.00 0.00 H new ATOM 0 HA TYR A 762 2.094 -3.126 -7.742 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -0.956 -3.282 -7.931 1.00 0.00 H new ATOM 0 HB3 TYR A 762 0.045 -2.152 -8.822 1.00 0.00 H new ATOM 0 HD1 TYR A 762 1.680 -3.061 -10.546 1.00 0.00 H new ATOM 0 HD2 TYR A 762 -1.268 -5.515 -8.701 1.00 0.00 H new ATOM 0 HE1 TYR A 762 1.942 -4.729 -12.327 1.00 0.00 H new ATOM 0 HE2 TYR A 762 -1.007 -7.179 -10.475 1.00 0.00 H new ATOM 0 HH TYR A 762 0.030 -7.735 -12.320 1.00 0.00 H new ATOM 609 N ASP A 763 0.877 -2.363 -5.015 1.00 0.00 N ATOM 610 CA ASP A 763 0.751 -1.225 -4.064 1.00 0.00 C ATOM 611 C ASP A 763 2.012 -0.366 -4.094 1.00 0.00 C ATOM 612 O ASP A 763 3.097 -0.859 -4.434 1.00 0.00 O ATOM 613 CB ASP A 763 0.444 -1.681 -2.613 1.00 0.00 C ATOM 614 CG ASP A 763 0.325 -0.528 -1.646 1.00 0.00 C ATOM 615 OD1 ASP A 763 -0.740 0.062 -1.571 1.00 0.00 O ATOM 616 OD2 ASP A 763 1.324 -0.194 -0.986 1.00 0.00 O ATOM 0 H ASP A 763 0.882 -3.292 -4.594 1.00 0.00 H new ATOM 0 HA ASP A 763 -0.102 -0.632 -4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 763 -0.485 -2.251 -2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 763 1.233 -2.352 -2.274 1.00 0.00 H new ATOM 621 N GLN A 764 1.851 0.914 -3.758 1.00 0.00 N ATOM 622 CA GLN A 764 2.938 1.896 -3.749 1.00 0.00 C ATOM 623 C GLN A 764 4.132 1.394 -2.932 1.00 0.00 C ATOM 624 O GLN A 764 5.273 1.431 -3.393 1.00 0.00 O ATOM 625 CB GLN A 764 2.420 3.188 -3.109 1.00 0.00 C ATOM 626 CG GLN A 764 1.167 3.762 -3.760 1.00 0.00 C ATOM 627 CD GLN A 764 0.587 4.906 -2.964 1.00 0.00 C ATOM 628 OE1 GLN A 764 1.309 5.629 -2.279 1.00 0.00 O ATOM 629 NE2 GLN A 764 -0.712 5.080 -3.039 1.00 0.00 N ATOM 0 H GLN A 764 0.950 1.304 -3.481 1.00 0.00 H new ATOM 0 HA GLN A 764 3.264 2.064 -4.775 1.00 0.00 H new ATOM 0 HB2 GLN A 764 2.212 2.998 -2.056 1.00 0.00 H new ATOM 0 HB3 GLN A 764 3.210 3.939 -3.147 1.00 0.00 H new ATOM 0 HG2 GLN A 764 1.407 4.106 -4.766 1.00 0.00 H new ATOM 0 HG3 GLN A 764 0.419 2.976 -3.862 1.00 0.00 H new ATOM 0 HE21 GLN A 764 -1.277 4.459 -3.618 1.00 0.00 H new ATOM 0 HE22 GLN A 764 -1.156 5.836 -2.518 1.00 0.00 H new ATOM 638 N ASP A 765 3.859 0.858 -1.751 1.00 0.00 N ATOM 639 CA ASP A 765 4.911 0.267 -0.923 1.00 0.00 C ATOM 640 C ASP A 765 4.810 -1.232 -0.901 1.00 0.00 C ATOM 641 O ASP A 765 5.558 -1.892 -0.173 1.00 0.00 O ATOM 642 CB ASP A 765 4.865 0.785 0.524 1.00 0.00 C ATOM 643 CG ASP A 765 5.358 2.176 0.673 1.00 0.00 C ATOM 644 OD1 ASP A 765 4.642 3.117 0.293 1.00 0.00 O ATOM 645 OD2 ASP A 765 6.481 2.339 1.160 1.00 0.00 O ATOM 0 H ASP A 765 2.925 0.818 -1.343 1.00 0.00 H new ATOM 0 HA ASP A 765 5.857 0.565 -1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 765 3.839 0.731 0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 765 5.462 0.127 1.156 1.00 0.00 H new ATOM 650 N GLY A 766 3.788 -1.764 -1.551 1.00 0.00 N ATOM 651 CA GLY A 766 3.494 -3.182 -1.423 1.00 0.00 C ATOM 652 C GLY A 766 2.942 -3.431 -0.041 1.00 0.00 C ATOM 653 O GLY A 766 3.246 -4.444 0.599 1.00 0.00 O ATOM 0 H GLY A 766 3.157 -1.246 -2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 766 2.773 -3.490 -2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 766 4.396 -3.772 -1.583 1.00 0.00 H new ATOM 657 N ASP A 767 2.253 -2.417 0.473 1.00 0.00 N ATOM 658 CA ASP A 767 1.790 -2.396 1.840 1.00 0.00 C ATOM 659 C ASP A 767 0.273 -2.481 1.924 1.00 0.00 C ATOM 660 O ASP A 767 -0.255 -3.577 2.054 1.00 0.00 O ATOM 661 CB ASP A 767 2.306 -1.125 2.520 1.00 0.00 C ATOM 662 CG ASP A 767 1.945 -1.062 3.950 1.00 0.00 C ATOM 663 OD1 ASP A 767 2.607 -1.737 4.736 1.00 0.00 O ATOM 664 OD2 ASP A 767 1.014 -0.315 4.292 1.00 0.00 O ATOM 0 H ASP A 767 2.003 -1.584 -0.059 1.00 0.00 H new ATOM 0 HA ASP A 767 2.181 -3.273 2.357 1.00 0.00 H new ATOM 0 HB2 ASP A 767 3.390 -1.078 2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 767 1.901 -0.253 2.008 1.00 0.00 H new ATOM 669 N GLN A 768 -0.401 -1.301 1.846 1.00 0.00 N ATOM 670 CA GLN A 768 -1.878 -1.151 1.919 1.00 0.00 C ATOM 671 C GLN A 768 -2.461 -1.993 3.088 1.00 0.00 C ATOM 672 O GLN A 768 -3.274 -2.921 2.886 1.00 0.00 O ATOM 673 CB GLN A 768 -2.491 -1.584 0.615 1.00 0.00 C ATOM 674 CG GLN A 768 -3.912 -1.162 0.428 1.00 0.00 C ATOM 675 CD GLN A 768 -4.556 -2.053 -0.543 1.00 0.00 C ATOM 676 OE1 GLN A 768 -5.114 -3.103 -0.040 1.00 0.00 O flip ATOM 677 NE2 GLN A 768 -4.550 -1.811 -1.744 1.00 0.00 N flip ATOM 0 H GLN A 768 0.080 -0.409 1.728 1.00 0.00 H new ATOM 0 HA GLN A 768 -2.116 -0.103 2.103 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -1.895 -1.181 -0.204 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -2.436 -2.670 0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -4.443 -1.197 1.380 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -3.955 -0.131 0.077 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -4.095 -0.967 -2.092 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -5.000 -2.454 -2.396 1.00 0.00 H new ATOM 686 N GLU A 769 -2.208 -1.533 4.297 1.00 0.00 N ATOM 687 CA GLU A 769 -2.695 -2.147 5.571 1.00 0.00 C ATOM 688 C GLU A 769 -1.930 -1.600 6.813 1.00 0.00 C ATOM 689 O GLU A 769 -2.286 -1.937 7.948 1.00 0.00 O ATOM 690 CB GLU A 769 -2.673 -3.706 5.590 1.00 0.00 C ATOM 691 CG GLU A 769 -1.372 -4.329 5.098 1.00 0.00 C ATOM 692 CD GLU A 769 -1.144 -5.711 5.589 1.00 0.00 C ATOM 693 OE1 GLU A 769 -0.893 -5.874 6.793 1.00 0.00 O ATOM 694 OE2 GLU A 769 -1.219 -6.657 4.794 1.00 0.00 O ATOM 0 H GLU A 769 -1.643 -0.698 4.453 1.00 0.00 H new ATOM 0 HA GLU A 769 -3.742 -1.847 5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -2.861 -4.046 6.608 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -3.493 -4.075 4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -1.374 -4.337 4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -0.538 -3.700 5.411 1.00 0.00 H new ATOM 701 N LEU A 770 -0.907 -0.740 6.613 1.00 0.00 N ATOM 702 CA LEU A 770 -0.162 -0.184 7.764 1.00 0.00 C ATOM 703 C LEU A 770 -0.475 1.285 8.065 1.00 0.00 C ATOM 704 O LEU A 770 -0.715 2.150 7.148 1.00 0.00 O ATOM 705 CB LEU A 770 1.358 -0.399 7.683 1.00 0.00 C ATOM 706 CG LEU A 770 1.865 -1.844 7.797 1.00 0.00 C ATOM 707 CD1 LEU A 770 3.381 -1.884 7.829 1.00 0.00 C ATOM 708 CD2 LEU A 770 1.298 -2.546 9.015 1.00 0.00 C ATOM 0 H LEU A 770 -0.586 -0.424 5.698 1.00 0.00 H new ATOM 0 HA LEU A 770 -0.534 -0.771 8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 770 1.708 0.009 6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 770 1.826 0.187 8.474 1.00 0.00 H new ATOM 0 HG LEU A 770 1.517 -2.377 6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 770 3.716 -2.918 7.910 1.00 0.00 H new ATOM 0 HD12 LEU A 770 3.776 -1.445 6.913 1.00 0.00 H new ATOM 0 HD13 LEU A 770 3.742 -1.317 8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 770 1.681 -3.565 9.059 1.00 0.00 H new ATOM 0 HD22 LEU A 770 1.594 -2.008 9.916 1.00 0.00 H new ATOM 0 HD23 LEU A 770 0.210 -2.570 8.948 1.00 0.00 H new ATOM 720 N THR A 771 -0.498 1.563 9.348 1.00 0.00 N ATOM 721 CA THR A 771 -0.836 2.850 9.871 1.00 0.00 C ATOM 722 C THR A 771 0.458 3.647 10.039 1.00 0.00 C ATOM 723 O THR A 771 1.513 3.091 9.873 1.00 0.00 O ATOM 724 CB THR A 771 -1.543 2.634 11.218 1.00 0.00 C ATOM 725 OG1 THR A 771 -2.480 1.574 11.103 1.00 0.00 O ATOM 726 CG2 THR A 771 -2.320 3.824 11.713 1.00 0.00 C ATOM 0 H THR A 771 -0.275 0.877 10.069 1.00 0.00 H new ATOM 0 HA THR A 771 -1.501 3.405 9.208 1.00 0.00 H new ATOM 0 HB THR A 771 -0.739 2.427 11.924 1.00 0.00 H new ATOM 0 HG1 THR A 771 -2.928 1.438 11.964 1.00 0.00 H new ATOM 0 HG21 THR A 771 -2.786 3.583 12.669 1.00 0.00 H new ATOM 0 HG22 THR A 771 -1.646 4.671 11.841 1.00 0.00 H new ATOM 0 HG23 THR A 771 -3.092 4.082 10.988 1.00 0.00 H new