USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 332 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 : amide:sc= -8.1! C(o=-8.1!,f=-10!) USER MOD Single : A 735 LYS NZ :NH3+ -166:sc= 0.996 (180deg=0.871) USER MOD Single : A 737 ASN : amide:sc= -1.3 X(o=-1.3,f=-0.93) USER MOD Single : A 743 GLN : amide:sc= -1.06! X(o=-1.1!,f=-1.2) USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 748 LYS NZ :NH3+ -149:sc= -1.55! (180deg=-1.57!) USER MOD Single : A 750 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 751 THR OG1 : rot -60:sc= 1.2 USER MOD Single : A 760 THR OG1 : rot 83:sc= 1.05 USER MOD Single : A 761 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 762 TYR OH : rot 180:sc= 0 USER MOD Single : A 764 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 768 GLN : amide:sc= -5.01! C(o=-5!,f=-4.2!) USER MOD Single : A 771 THR OG1 : rot 180:sc= -0.0257 USER MOD Single : A 773 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD ----------------------------------------------------------------- ATOM 87 N ARG A 730 7.948 -8.393 4.307 1.00 0.00 N ATOM 88 CA ARG A 730 7.511 -8.165 2.946 1.00 0.00 C ATOM 89 C ARG A 730 6.379 -7.153 2.860 1.00 0.00 C ATOM 90 O ARG A 730 6.364 -6.275 1.992 1.00 0.00 O ATOM 91 CB ARG A 730 7.201 -9.426 2.150 1.00 0.00 C ATOM 92 CG ARG A 730 6.496 -10.516 2.896 1.00 0.00 C ATOM 93 CD ARG A 730 6.078 -11.654 1.970 1.00 0.00 C ATOM 94 NE ARG A 730 7.215 -12.317 1.341 1.00 0.00 N ATOM 95 CZ ARG A 730 7.136 -13.200 0.341 1.00 0.00 C ATOM 96 NH1 ARG A 730 5.954 -13.536 -0.174 1.00 0.00 N ATOM 97 NH2 ARG A 730 8.244 -13.730 -0.147 1.00 0.00 N ATOM 0 HA ARG A 730 8.384 -7.732 2.458 1.00 0.00 H new ATOM 0 HB2 ARG A 730 6.591 -9.148 1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 730 8.138 -9.826 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 730 7.150 -10.904 3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 730 5.615 -10.107 3.391 1.00 0.00 H new ATOM 0 HD2 ARG A 730 5.505 -12.387 2.538 1.00 0.00 H new ATOM 0 HD3 ARG A 730 5.418 -11.263 1.196 1.00 0.00 H new ATOM 0 HE ARG A 730 8.145 -12.088 1.693 1.00 0.00 H new ATOM 0 HH11 ARG A 730 5.100 -13.118 0.195 1.00 0.00 H new ATOM 0 HH12 ARG A 730 5.903 -14.211 -0.937 1.00 0.00 H new ATOM 0 HH21 ARG A 730 9.150 -13.464 0.240 1.00 0.00 H new ATOM 0 HH22 ARG A 730 8.193 -14.405 -0.910 1.00 0.00 H new ATOM 111 N GLN A 731 5.434 -7.280 3.766 1.00 0.00 N ATOM 112 CA GLN A 731 4.309 -6.361 3.842 1.00 0.00 C ATOM 113 C GLN A 731 4.773 -5.056 4.417 1.00 0.00 C ATOM 114 O GLN A 731 4.538 -3.989 3.870 1.00 0.00 O ATOM 115 CB GLN A 731 3.203 -6.969 4.717 1.00 0.00 C ATOM 116 CG GLN A 731 2.100 -6.008 5.173 1.00 0.00 C ATOM 117 CD GLN A 731 1.412 -5.273 4.035 1.00 0.00 C ATOM 118 OE1 GLN A 731 0.950 -4.153 4.198 1.00 0.00 O ATOM 119 NE2 GLN A 731 1.284 -5.911 2.899 1.00 0.00 N ATOM 0 H GLN A 731 5.419 -8.018 4.470 1.00 0.00 H new ATOM 0 HA GLN A 731 3.907 -6.187 2.844 1.00 0.00 H new ATOM 0 HB2 GLN A 731 2.739 -7.787 4.165 1.00 0.00 H new ATOM 0 HB3 GLN A 731 3.666 -7.405 5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 731 1.353 -6.569 5.734 1.00 0.00 H new ATOM 0 HG3 GLN A 731 2.530 -5.276 5.857 1.00 0.00 H new ATOM 0 HE21 GLN A 731 1.680 -6.845 2.791 1.00 0.00 H new ATOM 0 HE22 GLN A 731 0.789 -5.474 2.122 1.00 0.00 H new ATOM 128 N GLY A 732 5.500 -5.167 5.476 1.00 0.00 N ATOM 129 CA GLY A 732 5.940 -4.000 6.183 1.00 0.00 C ATOM 130 C GLY A 732 7.135 -3.341 5.537 1.00 0.00 C ATOM 131 O GLY A 732 7.659 -2.353 6.034 1.00 0.00 O ATOM 0 H GLY A 732 5.806 -6.054 5.877 1.00 0.00 H new ATOM 0 HA2 GLY A 732 5.121 -3.283 6.237 1.00 0.00 H new ATOM 0 HA3 GLY A 732 6.192 -4.275 7.207 1.00 0.00 H new ATOM 135 N GLY A 733 7.593 -3.912 4.467 1.00 0.00 N ATOM 136 CA GLY A 733 8.706 -3.371 3.800 1.00 0.00 C ATOM 137 C GLY A 733 8.501 -3.253 2.341 1.00 0.00 C ATOM 138 O GLY A 733 9.389 -3.623 1.562 1.00 0.00 O ATOM 0 H GLY A 733 7.203 -4.755 4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 733 8.926 -2.386 4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 733 9.577 -3.998 3.990 1.00 0.00 H new ATOM 142 N GLY A 734 7.361 -2.771 1.923 1.00 0.00 N ATOM 143 CA GLY A 734 7.198 -2.621 0.522 1.00 0.00 C ATOM 144 C GLY A 734 5.844 -2.196 0.064 1.00 0.00 C ATOM 145 O GLY A 734 5.708 -1.166 -0.598 1.00 0.00 O ATOM 0 H GLY A 734 6.573 -2.491 2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 734 7.926 -1.891 0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 734 7.440 -3.570 0.044 1.00 0.00 H new ATOM 149 N LYS A 735 4.831 -2.955 0.401 1.00 0.00 N ATOM 150 CA LYS A 735 3.536 -2.686 -0.156 1.00 0.00 C ATOM 151 C LYS A 735 2.434 -3.030 0.807 1.00 0.00 C ATOM 152 O LYS A 735 2.674 -3.775 1.722 1.00 0.00 O ATOM 153 CB LYS A 735 3.352 -3.448 -1.473 1.00 0.00 C ATOM 154 CG LYS A 735 3.006 -4.964 -1.397 1.00 0.00 C ATOM 155 CD LYS A 735 4.067 -5.836 -0.697 1.00 0.00 C ATOM 156 CE LYS A 735 5.389 -5.885 -1.466 1.00 0.00 C ATOM 157 NZ LYS A 735 6.358 -6.818 -0.842 1.00 0.00 N ATOM 0 H LYS A 735 4.878 -3.746 1.044 1.00 0.00 H new ATOM 0 HA LYS A 735 3.478 -1.616 -0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 735 2.562 -2.953 -2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 735 4.270 -3.343 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 735 2.058 -5.080 -0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 735 2.858 -5.340 -2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 735 4.248 -5.447 0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 735 3.681 -6.849 -0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 735 5.199 -6.193 -2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 735 5.822 -4.886 -1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 7.305 -6.652 -1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 6.380 -6.659 0.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 6.069 -7.798 -1.035 1.00 0.00 H new ATOM 171 N LEU A 736 1.213 -2.526 0.582 1.00 0.00 N ATOM 172 CA LEU A 736 0.104 -2.885 1.491 1.00 0.00 C ATOM 173 C LEU A 736 -1.031 -3.468 0.692 1.00 0.00 C ATOM 174 O LEU A 736 -1.484 -2.868 -0.287 1.00 0.00 O ATOM 175 CB LEU A 736 -0.489 -1.728 2.327 1.00 0.00 C ATOM 176 CG LEU A 736 0.415 -0.606 2.839 1.00 0.00 C ATOM 177 CD1 LEU A 736 0.632 0.445 1.764 1.00 0.00 C ATOM 178 CD2 LEU A 736 -0.216 0.030 4.055 1.00 0.00 C ATOM 0 H LEU A 736 0.969 -1.897 -0.183 1.00 0.00 H new ATOM 0 HA LEU A 736 0.554 -3.587 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -1.272 -1.264 1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -0.975 -2.173 3.195 1.00 0.00 H new ATOM 0 HG LEU A 736 1.383 -1.030 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 736 1.278 1.233 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 736 1.102 -0.015 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -0.328 0.872 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 736 0.427 0.830 4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -1.190 0.440 3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -0.341 -0.721 4.835 1.00 0.00 H new ATOM 190 N ASN A 737 -1.540 -4.598 1.094 1.00 0.00 N ATOM 191 CA ASN A 737 -2.638 -5.236 0.338 1.00 0.00 C ATOM 192 C ASN A 737 -3.632 -5.692 1.326 1.00 0.00 C ATOM 193 O ASN A 737 -3.278 -5.886 2.271 1.00 0.00 O ATOM 194 CB ASN A 737 -2.204 -6.461 -0.531 1.00 0.00 C ATOM 195 CG ASN A 737 -0.968 -6.320 -1.427 1.00 0.00 C ATOM 196 OD1 ASN A 737 -0.316 -7.304 -1.730 1.00 0.00 O ATOM 197 ND2 ASN A 737 -0.612 -5.147 -1.807 1.00 0.00 N ATOM 0 H ASN A 737 -1.235 -5.108 1.923 1.00 0.00 H new ATOM 0 HA ASN A 737 -3.025 -4.496 -0.362 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -2.032 -7.301 0.142 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -3.046 -6.731 -1.168 1.00 0.00 H new ATOM 0 HD21 ASN A 737 0.229 -5.027 -2.372 1.00 0.00 H new ATOM 0 HD22 ASN A 737 -1.170 -4.335 -1.544 1.00 0.00 H new ATOM 204 N PHE A 738 -4.893 -5.740 1.084 1.00 0.00 N ATOM 205 CA PHE A 738 -5.850 -6.294 2.084 1.00 0.00 C ATOM 206 C PHE A 738 -5.314 -7.619 2.674 1.00 0.00 C ATOM 207 O PHE A 738 -4.924 -7.641 3.841 1.00 0.00 O ATOM 208 CB PHE A 738 -7.200 -6.492 1.427 1.00 0.00 C ATOM 209 CG PHE A 738 -8.226 -7.153 2.286 1.00 0.00 C ATOM 210 CD1 PHE A 738 -8.619 -6.587 3.475 1.00 0.00 C ATOM 211 CD2 PHE A 738 -8.789 -8.347 1.906 1.00 0.00 C ATOM 212 CE1 PHE A 738 -9.550 -7.193 4.266 1.00 0.00 C ATOM 213 CE2 PHE A 738 -9.729 -8.960 2.697 1.00 0.00 C ATOM 214 CZ PHE A 738 -10.107 -8.380 3.880 1.00 0.00 C ATOM 0 H PHE A 738 -5.323 -5.414 0.219 1.00 0.00 H new ATOM 0 HA PHE A 738 -5.961 -5.591 2.909 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -7.581 -5.520 1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -7.065 -7.088 0.524 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -8.184 -5.649 3.787 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -8.489 -8.808 0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -9.847 -6.735 5.198 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -10.169 -9.896 2.388 1.00 0.00 H new ATOM 0 HZ PHE A 738 -10.844 -8.860 4.506 1.00 0.00 H new ATOM 224 N ASP A 739 -5.183 -8.656 1.852 1.00 0.00 N ATOM 225 CA ASP A 739 -4.646 -9.955 2.316 1.00 0.00 C ATOM 226 C ASP A 739 -3.164 -9.908 2.681 1.00 0.00 C ATOM 227 O ASP A 739 -2.690 -10.700 3.484 1.00 0.00 O ATOM 228 CB ASP A 739 -4.933 -11.100 1.353 1.00 0.00 C ATOM 229 CG ASP A 739 -6.221 -11.826 1.695 1.00 0.00 C ATOM 230 OD1 ASP A 739 -7.305 -11.391 1.274 1.00 0.00 O ATOM 231 OD2 ASP A 739 -6.163 -12.868 2.382 1.00 0.00 O ATOM 0 H ASP A 739 -5.437 -8.634 0.864 1.00 0.00 H new ATOM 0 HA ASP A 739 -5.192 -10.159 3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -4.996 -10.711 0.337 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -4.103 -11.806 1.373 1.00 0.00 H new ATOM 236 N GLU A 740 -2.419 -8.993 2.102 1.00 0.00 N ATOM 237 CA GLU A 740 -0.996 -8.897 2.448 1.00 0.00 C ATOM 238 C GLU A 740 -0.816 -7.975 3.663 1.00 0.00 C ATOM 239 O GLU A 740 0.029 -8.216 4.500 1.00 0.00 O ATOM 240 CB GLU A 740 -0.163 -8.405 1.264 1.00 0.00 C ATOM 241 CG GLU A 740 1.310 -8.806 1.270 1.00 0.00 C ATOM 242 CD GLU A 740 1.541 -10.198 0.746 1.00 0.00 C ATOM 243 OE1 GLU A 740 1.364 -11.175 1.469 1.00 0.00 O ATOM 244 OE2 GLU A 740 1.912 -10.322 -0.437 1.00 0.00 O ATOM 0 H GLU A 740 -2.749 -8.320 1.410 1.00 0.00 H new ATOM 0 HA GLU A 740 -0.638 -9.894 2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -0.617 -8.778 0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -0.223 -7.317 1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 740 1.877 -8.097 0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 740 1.696 -8.738 2.287 1.00 0.00 H new ATOM 251 N LEU A 741 -1.636 -6.931 3.760 1.00 0.00 N ATOM 252 CA LEU A 741 -1.621 -5.970 4.885 1.00 0.00 C ATOM 253 C LEU A 741 -1.835 -6.708 6.158 1.00 0.00 C ATOM 254 O LEU A 741 -1.392 -6.293 7.199 1.00 0.00 O ATOM 255 CB LEU A 741 -2.747 -4.946 4.765 1.00 0.00 C ATOM 256 CG LEU A 741 -2.914 -4.021 5.932 1.00 0.00 C ATOM 257 CD1 LEU A 741 -2.068 -2.774 5.802 1.00 0.00 C ATOM 258 CD2 LEU A 741 -4.330 -3.711 6.127 1.00 0.00 C ATOM 0 H LEU A 741 -2.342 -6.717 3.056 1.00 0.00 H new ATOM 0 HA LEU A 741 -0.659 -5.457 4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -2.573 -4.346 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -3.684 -5.481 4.612 1.00 0.00 H new ATOM 0 HG LEU A 741 -2.551 -4.532 6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -2.224 -2.136 6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -1.016 -3.053 5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -2.353 -2.233 4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -4.441 -3.038 6.977 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -4.724 -3.232 5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -4.881 -4.632 6.318 1.00 0.00 H new ATOM 270 N ARG A 742 -2.551 -7.838 6.052 1.00 0.00 N ATOM 271 CA ARG A 742 -2.800 -8.694 7.173 1.00 0.00 C ATOM 272 C ARG A 742 -1.501 -9.103 7.719 1.00 0.00 C ATOM 273 O ARG A 742 -1.385 -9.136 8.784 1.00 0.00 O ATOM 274 CB ARG A 742 -3.545 -9.978 6.835 1.00 0.00 C ATOM 275 CG ARG A 742 -4.589 -9.910 5.780 1.00 0.00 C ATOM 276 CD ARG A 742 -5.833 -9.190 6.189 1.00 0.00 C ATOM 277 NE ARG A 742 -6.982 -9.653 5.433 1.00 0.00 N ATOM 278 CZ ARG A 742 -7.602 -10.836 5.566 1.00 0.00 C ATOM 279 NH1 ARG A 742 -7.320 -11.650 6.563 1.00 0.00 N ATOM 280 NH2 ARG A 742 -8.513 -11.175 4.690 1.00 0.00 N ATOM 0 H ARG A 742 -2.964 -8.165 5.179 1.00 0.00 H new ATOM 0 HA ARG A 742 -3.421 -8.122 7.863 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -2.810 -10.723 6.532 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -4.014 -10.345 7.748 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -4.170 -9.417 4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -4.852 -10.924 5.481 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -6.010 -9.342 7.254 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -5.702 -8.119 6.037 1.00 0.00 H new ATOM 0 HE ARG A 742 -7.356 -9.015 4.730 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -6.618 -11.386 7.254 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -7.804 -12.544 6.644 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -8.742 -10.544 3.922 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -8.994 -12.070 4.775 1.00 0.00 H new ATOM 294 N GLN A 743 -0.495 -9.315 6.913 1.00 0.00 N ATOM 295 CA GLN A 743 0.830 -9.719 7.401 1.00 0.00 C ATOM 296 C GLN A 743 1.284 -8.764 8.468 1.00 0.00 C ATOM 297 O GLN A 743 1.908 -9.143 9.440 1.00 0.00 O ATOM 298 CB GLN A 743 1.815 -9.743 6.281 1.00 0.00 C ATOM 299 CG GLN A 743 2.675 -11.002 6.219 1.00 0.00 C ATOM 300 CD GLN A 743 2.795 -11.512 4.813 1.00 0.00 C ATOM 301 OE1 GLN A 743 3.806 -12.075 4.428 1.00 0.00 O ATOM 302 NE2 GLN A 743 1.736 -11.376 4.067 1.00 0.00 N ATOM 0 H GLN A 743 -0.553 -9.217 5.899 1.00 0.00 H new ATOM 0 HA GLN A 743 0.762 -10.723 7.819 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.277 -9.640 5.339 1.00 0.00 H new ATOM 0 HB3 GLN A 743 2.469 -8.876 6.371 1.00 0.00 H new ATOM 0 HG2 GLN A 743 3.667 -10.787 6.616 1.00 0.00 H new ATOM 0 HG3 GLN A 743 2.239 -11.774 6.852 1.00 0.00 H new ATOM 0 HE21 GLN A 743 0.913 -10.897 4.432 1.00 0.00 H new ATOM 0 HE22 GLN A 743 1.730 -11.748 3.117 1.00 0.00 H new ATOM 311 N ASP A 744 0.856 -7.543 8.305 1.00 0.00 N ATOM 312 CA ASP A 744 1.114 -6.539 9.272 1.00 0.00 C ATOM 313 C ASP A 744 0.159 -6.625 10.462 1.00 0.00 C ATOM 314 O ASP A 744 0.578 -6.647 11.618 1.00 0.00 O ATOM 315 CB ASP A 744 1.116 -5.163 8.691 1.00 0.00 C ATOM 316 CG ASP A 744 2.453 -4.477 9.040 1.00 0.00 C ATOM 317 OD1 ASP A 744 3.512 -4.830 8.441 1.00 0.00 O ATOM 318 OD2 ASP A 744 2.484 -3.633 9.972 1.00 0.00 O ATOM 0 H ASP A 744 0.321 -7.227 7.496 1.00 0.00 H new ATOM 0 HA ASP A 744 2.122 -6.735 9.638 1.00 0.00 H new ATOM 0 HB2 ASP A 744 0.987 -5.210 7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 744 0.281 -4.585 9.087 1.00 0.00 H new ATOM 323 N LEU A 745 -1.123 -6.700 10.158 1.00 0.00 N ATOM 324 CA LEU A 745 -2.193 -6.750 11.147 1.00 0.00 C ATOM 325 C LEU A 745 -2.989 -8.074 11.149 1.00 0.00 C ATOM 326 O LEU A 745 -4.228 -8.077 11.179 1.00 0.00 O ATOM 327 CB LEU A 745 -3.081 -5.517 10.986 1.00 0.00 C ATOM 328 CG LEU A 745 -3.343 -5.024 9.568 1.00 0.00 C ATOM 329 CD1 LEU A 745 -4.339 -5.904 8.851 1.00 0.00 C ATOM 330 CD2 LEU A 745 -3.806 -3.589 9.620 1.00 0.00 C ATOM 0 H LEU A 745 -1.461 -6.729 9.196 1.00 0.00 H new ATOM 0 HA LEU A 745 -1.735 -6.730 12.136 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -4.043 -5.731 11.452 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -2.629 -4.700 11.549 1.00 0.00 H new ATOM 0 HG LEU A 745 -2.416 -5.076 8.996 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -4.502 -5.523 7.843 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -3.952 -6.922 8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -5.283 -5.904 9.396 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -3.995 -3.231 8.608 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -4.723 -3.524 10.205 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -3.035 -2.974 10.084 1.00 0.00 H new ATOM 342 N LYS A 746 -2.266 -9.182 11.071 1.00 0.00 N ATOM 343 CA LYS A 746 -2.864 -10.526 11.039 1.00 0.00 C ATOM 344 C LYS A 746 -3.725 -10.823 12.269 1.00 0.00 C ATOM 345 O LYS A 746 -3.200 -11.021 13.373 1.00 0.00 O ATOM 346 CB LYS A 746 -1.808 -11.675 10.856 1.00 0.00 C ATOM 347 CG LYS A 746 -1.168 -11.829 9.481 1.00 0.00 C ATOM 348 CD LYS A 746 -0.666 -13.244 9.266 1.00 0.00 C ATOM 349 CE LYS A 746 -0.119 -13.426 7.868 1.00 0.00 C ATOM 350 NZ LYS A 746 0.423 -14.781 7.659 1.00 0.00 N ATOM 0 H LYS A 746 -1.247 -9.184 11.028 1.00 0.00 H new ATOM 0 HA LYS A 746 -3.505 -10.511 10.158 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -1.011 -11.518 11.583 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -2.290 -12.619 11.110 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -1.894 -11.576 8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -0.340 -11.127 9.382 1.00 0.00 H new ATOM 0 HD2 LYS A 746 0.111 -13.471 9.995 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -1.479 -13.950 9.436 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -0.909 -13.236 7.142 1.00 0.00 H new ATOM 0 HE3 LYS A 746 0.664 -12.690 7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 0.787 -14.863 6.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 1.195 -14.954 8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -0.330 -15.483 7.807 1.00 0.00 H new ATOM 364 N GLY A 747 -5.027 -10.823 12.083 1.00 0.00 N ATOM 365 CA GLY A 747 -5.923 -11.176 13.151 1.00 0.00 C ATOM 366 C GLY A 747 -6.544 -9.961 13.801 1.00 0.00 C ATOM 367 O GLY A 747 -6.013 -9.447 14.787 1.00 0.00 O ATOM 0 H GLY A 747 -5.483 -10.583 11.203 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -6.711 -11.821 12.763 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -5.381 -11.751 13.902 1.00 0.00 H new ATOM 371 N LYS A 748 -7.666 -9.494 13.266 1.00 0.00 N ATOM 372 CA LYS A 748 -8.332 -8.314 13.842 1.00 0.00 C ATOM 373 C LYS A 748 -9.838 -8.305 13.603 1.00 0.00 C ATOM 374 O LYS A 748 -10.616 -7.847 14.447 1.00 0.00 O ATOM 375 CB LYS A 748 -7.737 -6.963 13.370 1.00 0.00 C ATOM 376 CG LYS A 748 -8.089 -6.583 11.950 1.00 0.00 C ATOM 377 CD LYS A 748 -7.454 -7.495 10.990 1.00 0.00 C ATOM 378 CE LYS A 748 -8.026 -7.294 9.664 1.00 0.00 C ATOM 379 NZ LYS A 748 -7.295 -8.036 8.655 1.00 0.00 N ATOM 0 H LYS A 748 -8.131 -9.898 12.453 1.00 0.00 H new ATOM 0 HA LYS A 748 -8.142 -8.409 14.911 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -8.082 -6.175 14.039 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -6.652 -7.007 13.462 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -9.171 -6.608 11.820 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -7.768 -5.560 11.753 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -6.379 -7.318 10.963 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -7.599 -8.528 11.306 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -9.070 -7.609 9.665 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -8.013 -6.232 9.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -7.335 -7.524 7.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -6.303 -8.139 8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -7.721 -8.977 8.539 1.00 0.00 H new ATOM 393 N GLY A 749 -10.247 -8.804 12.466 1.00 0.00 N ATOM 394 CA GLY A 749 -11.616 -8.728 12.112 1.00 0.00 C ATOM 395 C GLY A 749 -12.263 -10.081 12.172 1.00 0.00 C ATOM 396 O GLY A 749 -11.631 -11.058 12.589 1.00 0.00 O ATOM 0 H GLY A 749 -9.646 -9.262 11.781 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -12.132 -8.044 12.786 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -11.713 -8.319 11.106 1.00 0.00 H new ATOM 400 N HIS A 750 -13.483 -10.158 11.769 1.00 0.00 N ATOM 401 CA HIS A 750 -14.192 -11.424 11.726 1.00 0.00 C ATOM 402 C HIS A 750 -14.116 -12.024 10.332 1.00 0.00 C ATOM 403 O HIS A 750 -13.333 -12.940 10.095 1.00 0.00 O ATOM 404 CB HIS A 750 -15.642 -11.288 12.187 1.00 0.00 C ATOM 405 CG HIS A 750 -15.821 -11.097 13.658 1.00 0.00 C ATOM 406 ND1 HIS A 750 -16.161 -12.128 14.513 1.00 0.00 N ATOM 407 CD2 HIS A 750 -15.733 -9.991 14.431 1.00 0.00 C ATOM 408 CE1 HIS A 750 -16.272 -11.653 15.742 1.00 0.00 C ATOM 409 NE2 HIS A 750 -16.016 -10.371 15.712 1.00 0.00 N ATOM 0 H HIS A 750 -14.032 -9.357 11.457 1.00 0.00 H new ATOM 0 HA HIS A 750 -13.701 -12.100 12.426 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -16.095 -10.443 11.668 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -16.190 -12.180 11.882 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -15.485 -8.994 14.098 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -16.530 -12.226 16.620 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -16.026 -9.750 16.521 1.00 0.00 H new ATOM 417 N THR A 751 -14.895 -11.502 9.412 1.00 0.00 N ATOM 418 CA THR A 751 -14.836 -11.959 8.044 1.00 0.00 C ATOM 419 C THR A 751 -14.108 -10.970 7.172 1.00 0.00 C ATOM 420 O THR A 751 -14.081 -9.761 7.467 1.00 0.00 O ATOM 421 CB THR A 751 -16.229 -12.283 7.448 1.00 0.00 C ATOM 422 OG1 THR A 751 -17.208 -11.281 7.761 1.00 0.00 O ATOM 423 CG2 THR A 751 -16.693 -13.657 7.853 1.00 0.00 C ATOM 0 H THR A 751 -15.575 -10.762 9.586 1.00 0.00 H new ATOM 0 HA THR A 751 -14.277 -12.895 8.064 1.00 0.00 H new ATOM 0 HB THR A 751 -16.116 -12.276 6.364 1.00 0.00 H new ATOM 0 HG1 THR A 751 -17.305 -11.211 8.734 1.00 0.00 H new ATOM 0 HG21 THR A 751 -17.673 -13.853 7.418 1.00 0.00 H new ATOM 0 HG22 THR A 751 -15.982 -14.401 7.495 1.00 0.00 H new ATOM 0 HG23 THR A 751 -16.760 -13.713 8.939 1.00 0.00 H new ATOM 431 N ASP A 752 -13.500 -11.488 6.128 1.00 0.00 N ATOM 432 CA ASP A 752 -12.763 -10.714 5.130 1.00 0.00 C ATOM 433 C ASP A 752 -13.654 -9.626 4.556 1.00 0.00 C ATOM 434 O ASP A 752 -13.208 -8.527 4.345 1.00 0.00 O ATOM 435 CB ASP A 752 -12.277 -11.641 3.978 1.00 0.00 C ATOM 436 CG ASP A 752 -11.325 -12.738 4.400 1.00 0.00 C ATOM 437 OD1 ASP A 752 -11.628 -13.469 5.352 1.00 0.00 O ATOM 438 OD2 ASP A 752 -10.264 -12.921 3.753 1.00 0.00 O ATOM 0 H ASP A 752 -13.500 -12.490 5.936 1.00 0.00 H new ATOM 0 HA ASP A 752 -11.898 -10.260 5.614 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -13.148 -12.097 3.507 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -11.789 -11.028 3.220 1.00 0.00 H new ATOM 443 N ALA A 753 -14.939 -9.932 4.398 1.00 0.00 N ATOM 444 CA ALA A 753 -15.924 -9.001 3.840 1.00 0.00 C ATOM 445 C ALA A 753 -16.092 -7.776 4.696 1.00 0.00 C ATOM 446 O ALA A 753 -16.186 -6.679 4.195 1.00 0.00 O ATOM 447 CB ALA A 753 -17.257 -9.676 3.599 1.00 0.00 C ATOM 0 H ALA A 753 -15.332 -10.838 4.654 1.00 0.00 H new ATOM 0 HA ALA A 753 -15.533 -8.676 2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -17.961 -8.954 3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -17.126 -10.499 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -17.645 -10.062 4.542 1.00 0.00 H new ATOM 453 N GLU A 754 -16.150 -7.984 5.979 1.00 0.00 N ATOM 454 CA GLU A 754 -16.296 -6.918 6.939 1.00 0.00 C ATOM 455 C GLU A 754 -15.099 -5.994 6.921 1.00 0.00 C ATOM 456 O GLU A 754 -15.249 -4.793 6.906 1.00 0.00 O ATOM 457 CB GLU A 754 -16.407 -7.505 8.329 1.00 0.00 C ATOM 458 CG GLU A 754 -17.710 -8.114 8.733 1.00 0.00 C ATOM 459 CD GLU A 754 -17.537 -8.825 10.042 1.00 0.00 C ATOM 460 OE1 GLU A 754 -17.453 -8.151 11.089 1.00 0.00 O ATOM 461 OE2 GLU A 754 -17.386 -10.063 10.040 1.00 0.00 O ATOM 0 H GLU A 754 -16.097 -8.912 6.399 1.00 0.00 H new ATOM 0 HA GLU A 754 -17.191 -6.354 6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -15.636 -8.269 8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -16.171 -6.717 9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -18.474 -7.342 8.823 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -18.051 -8.812 7.969 1.00 0.00 H new ATOM 468 N ILE A 755 -13.935 -6.561 6.885 1.00 0.00 N ATOM 469 CA ILE A 755 -12.703 -5.790 6.939 1.00 0.00 C ATOM 470 C ILE A 755 -12.431 -5.131 5.587 1.00 0.00 C ATOM 471 O ILE A 755 -11.994 -3.983 5.512 1.00 0.00 O ATOM 472 CB ILE A 755 -11.548 -6.721 7.267 1.00 0.00 C ATOM 473 CG1 ILE A 755 -11.848 -7.496 8.536 1.00 0.00 C ATOM 474 CG2 ILE A 755 -10.279 -5.914 7.446 1.00 0.00 C ATOM 475 CD1 ILE A 755 -11.045 -8.751 8.636 1.00 0.00 C ATOM 0 H ILE A 755 -13.796 -7.569 6.818 1.00 0.00 H new ATOM 0 HA ILE A 755 -12.802 -5.019 7.703 1.00 0.00 H new ATOM 0 HB ILE A 755 -11.415 -7.426 6.446 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -11.643 -6.866 9.401 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -12.909 -7.743 8.566 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -9.452 -6.584 7.681 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -10.058 -5.374 6.525 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -10.412 -5.202 8.261 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -11.295 -9.270 9.561 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -11.270 -9.395 7.786 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -9.983 -8.505 8.634 1.00 0.00 H new ATOM 487 N GLU A 756 -12.729 -5.848 4.541 1.00 0.00 N ATOM 488 CA GLU A 756 -12.500 -5.394 3.187 1.00 0.00 C ATOM 489 C GLU A 756 -13.341 -4.141 2.885 1.00 0.00 C ATOM 490 O GLU A 756 -12.906 -3.247 2.194 1.00 0.00 O ATOM 491 CB GLU A 756 -12.780 -6.502 2.186 1.00 0.00 C ATOM 492 CG GLU A 756 -12.235 -6.267 0.788 1.00 0.00 C ATOM 493 CD GLU A 756 -12.559 -7.404 -0.143 1.00 0.00 C ATOM 494 OE1 GLU A 756 -11.938 -8.471 -0.033 1.00 0.00 O ATOM 495 OE2 GLU A 756 -13.445 -7.245 -1.011 1.00 0.00 O ATOM 0 H GLU A 756 -13.144 -6.778 4.599 1.00 0.00 H new ATOM 0 HA GLU A 756 -11.449 -5.123 3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -12.360 -7.431 2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -13.859 -6.644 2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -12.650 -5.342 0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -11.154 -6.136 0.838 1.00 0.00 H new ATOM 502 N ALA A 757 -14.573 -4.166 3.280 1.00 0.00 N ATOM 503 CA ALA A 757 -15.475 -3.026 3.134 1.00 0.00 C ATOM 504 C ALA A 757 -15.108 -1.866 4.082 1.00 0.00 C ATOM 505 O ALA A 757 -14.996 -0.694 3.641 1.00 0.00 O ATOM 506 CB ALA A 757 -16.899 -3.457 3.383 1.00 0.00 C ATOM 0 H ALA A 757 -15.004 -4.979 3.720 1.00 0.00 H new ATOM 0 HA ALA A 757 -15.372 -2.661 2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -17.563 -2.600 3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -17.177 -4.227 2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -16.987 -3.856 4.394 1.00 0.00 H new ATOM 512 N ILE A 758 -14.906 -2.190 5.364 1.00 0.00 N ATOM 513 CA ILE A 758 -14.668 -1.185 6.409 1.00 0.00 C ATOM 514 C ILE A 758 -13.478 -0.314 6.052 1.00 0.00 C ATOM 515 O ILE A 758 -13.563 0.911 6.133 1.00 0.00 O ATOM 516 CB ILE A 758 -14.505 -1.832 7.853 1.00 0.00 C ATOM 517 CG1 ILE A 758 -14.542 -0.789 8.998 1.00 0.00 C ATOM 518 CG2 ILE A 758 -13.237 -2.648 7.971 1.00 0.00 C ATOM 519 CD1 ILE A 758 -13.227 -0.072 9.278 1.00 0.00 C ATOM 0 H ILE A 758 -14.903 -3.151 5.706 1.00 0.00 H new ATOM 0 HA ILE A 758 -15.555 -0.553 6.456 1.00 0.00 H new ATOM 0 HB ILE A 758 -15.369 -2.488 7.963 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -15.299 -0.042 8.760 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -14.864 -1.290 9.911 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -13.168 -3.070 8.974 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -13.254 -3.454 7.238 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -12.374 -2.008 7.787 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -13.365 0.635 10.096 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -12.466 -0.802 9.553 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -12.908 0.465 8.385 1.00 0.00 H new ATOM 531 N PHE A 759 -12.391 -0.939 5.593 1.00 0.00 N ATOM 532 CA PHE A 759 -11.194 -0.207 5.285 1.00 0.00 C ATOM 533 C PHE A 759 -11.430 0.741 4.101 1.00 0.00 C ATOM 534 O PHE A 759 -10.924 1.802 4.056 1.00 0.00 O ATOM 535 CB PHE A 759 -9.992 -1.178 5.005 1.00 0.00 C ATOM 536 CG PHE A 759 -9.847 -1.752 3.573 1.00 0.00 C ATOM 537 CD1 PHE A 759 -9.509 -0.939 2.481 1.00 0.00 C ATOM 538 CD2 PHE A 759 -10.025 -3.090 3.338 1.00 0.00 C ATOM 539 CE1 PHE A 759 -9.378 -1.465 1.219 1.00 0.00 C ATOM 540 CE2 PHE A 759 -9.881 -3.618 2.066 1.00 0.00 C ATOM 541 CZ PHE A 759 -9.566 -2.807 1.014 1.00 0.00 C ATOM 0 H PHE A 759 -12.330 -1.944 5.432 1.00 0.00 H new ATOM 0 HA PHE A 759 -10.932 0.396 6.154 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -9.070 -0.650 5.249 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -10.071 -2.017 5.696 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -9.349 0.118 2.635 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -10.282 -3.744 4.158 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -9.127 -0.821 0.389 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -10.019 -4.677 1.905 1.00 0.00 H new ATOM 0 HZ PHE A 759 -9.465 -3.222 0.022 1.00 0.00 H new ATOM 551 N THR A 760 -12.267 0.366 3.210 1.00 0.00 N ATOM 552 CA THR A 760 -12.493 1.134 2.007 1.00 0.00 C ATOM 553 C THR A 760 -12.986 2.553 2.375 1.00 0.00 C ATOM 554 O THR A 760 -12.613 3.544 1.751 1.00 0.00 O ATOM 555 CB THR A 760 -13.481 0.375 1.105 1.00 0.00 C ATOM 556 OG1 THR A 760 -12.915 -0.926 0.810 1.00 0.00 O ATOM 557 CG2 THR A 760 -13.714 1.084 -0.191 1.00 0.00 C ATOM 0 H THR A 760 -12.827 -0.484 3.278 1.00 0.00 H new ATOM 0 HA THR A 760 -11.565 1.258 1.449 1.00 0.00 H new ATOM 0 HB THR A 760 -14.433 0.299 1.630 1.00 0.00 H new ATOM 0 HG1 THR A 760 -13.106 -1.541 1.549 1.00 0.00 H new ATOM 0 HG21 THR A 760 -14.418 0.513 -0.797 1.00 0.00 H new ATOM 0 HG22 THR A 760 -14.124 2.075 0.005 1.00 0.00 H new ATOM 0 HG23 THR A 760 -12.770 1.182 -0.727 1.00 0.00 H new ATOM 565 N LYS A 761 -13.781 2.616 3.425 1.00 0.00 N ATOM 566 CA LYS A 761 -14.293 3.893 3.917 1.00 0.00 C ATOM 567 C LYS A 761 -13.412 4.474 5.051 1.00 0.00 C ATOM 568 O LYS A 761 -13.126 5.667 5.067 1.00 0.00 O ATOM 569 CB LYS A 761 -15.755 3.754 4.363 1.00 0.00 C ATOM 570 CG LYS A 761 -16.559 5.070 4.332 1.00 0.00 C ATOM 571 CD LYS A 761 -18.051 4.822 4.503 1.00 0.00 C ATOM 572 CE LYS A 761 -18.851 6.108 4.341 1.00 0.00 C ATOM 573 NZ LYS A 761 -20.305 5.888 4.525 1.00 0.00 N ATOM 0 H LYS A 761 -14.090 1.803 3.958 1.00 0.00 H new ATOM 0 HA LYS A 761 -14.253 4.603 3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 761 -16.250 3.025 3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 761 -15.776 3.353 5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -16.207 5.730 5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -16.381 5.583 3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -18.386 4.089 3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -18.240 4.396 5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 761 -18.502 6.845 5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 761 -18.670 6.524 3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -20.810 6.789 4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -20.645 5.205 3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 -20.482 5.516 5.480 1.00 0.00 H new ATOM 587 N TYR A 762 -12.984 3.634 5.994 1.00 0.00 N ATOM 588 CA TYR A 762 -12.220 4.120 7.154 1.00 0.00 C ATOM 589 C TYR A 762 -10.696 4.033 7.042 1.00 0.00 C ATOM 590 O TYR A 762 -9.998 4.761 7.750 1.00 0.00 O ATOM 591 CB TYR A 762 -12.677 3.456 8.436 1.00 0.00 C ATOM 592 CG TYR A 762 -13.961 4.017 8.996 1.00 0.00 C ATOM 593 CD1 TYR A 762 -13.955 5.229 9.664 1.00 0.00 C ATOM 594 CD2 TYR A 762 -15.166 3.342 8.875 1.00 0.00 C ATOM 595 CE1 TYR A 762 -15.105 5.756 10.196 1.00 0.00 C ATOM 596 CE2 TYR A 762 -16.328 3.867 9.407 1.00 0.00 C ATOM 597 CZ TYR A 762 -16.290 5.072 10.068 1.00 0.00 C ATOM 598 OH TYR A 762 -17.450 5.601 10.603 1.00 0.00 O ATOM 0 H TYR A 762 -13.148 2.627 5.983 1.00 0.00 H new ATOM 0 HA TYR A 762 -12.446 5.186 7.173 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -12.808 2.389 8.254 1.00 0.00 H new ATOM 0 HB3 TYR A 762 -11.892 3.557 9.185 1.00 0.00 H new ATOM 0 HD1 TYR A 762 -13.027 5.771 9.769 1.00 0.00 H new ATOM 0 HD2 TYR A 762 -15.197 2.394 8.358 1.00 0.00 H new ATOM 0 HE1 TYR A 762 -15.079 6.704 10.713 1.00 0.00 H new ATOM 0 HE2 TYR A 762 -17.261 3.334 9.304 1.00 0.00 H new ATOM 0 HH TYR A 762 -18.199 4.994 10.425 1.00 0.00 H new ATOM 608 N ASP A 763 -10.176 3.163 6.186 1.00 0.00 N ATOM 609 CA ASP A 763 -8.701 2.995 6.049 1.00 0.00 C ATOM 610 C ASP A 763 -8.057 4.264 5.564 1.00 0.00 C ATOM 611 O ASP A 763 -8.690 5.065 4.868 1.00 0.00 O ATOM 612 CB ASP A 763 -8.339 1.879 5.062 1.00 0.00 C ATOM 613 CG ASP A 763 -6.846 1.626 4.963 1.00 0.00 C ATOM 614 OD1 ASP A 763 -6.239 1.130 5.919 1.00 0.00 O ATOM 615 OD2 ASP A 763 -6.252 2.017 3.924 1.00 0.00 O ATOM 0 H ASP A 763 -10.729 2.562 5.575 1.00 0.00 H new ATOM 0 HA ASP A 763 -8.332 2.735 7.041 1.00 0.00 H new ATOM 0 HB2 ASP A 763 -8.837 0.959 5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 763 -8.723 2.138 4.075 1.00 0.00 H new ATOM 620 N GLN A 764 -6.795 4.427 5.909 1.00 0.00 N ATOM 621 CA GLN A 764 -6.027 5.581 5.541 1.00 0.00 C ATOM 622 C GLN A 764 -6.012 5.788 4.033 1.00 0.00 C ATOM 623 O GLN A 764 -6.173 6.920 3.568 1.00 0.00 O ATOM 624 CB GLN A 764 -4.622 5.516 6.132 1.00 0.00 C ATOM 625 CG GLN A 764 -3.796 6.779 5.957 1.00 0.00 C ATOM 626 CD GLN A 764 -2.520 6.740 6.764 1.00 0.00 C ATOM 627 OE1 GLN A 764 -2.498 7.153 7.923 1.00 0.00 O ATOM 628 NE2 GLN A 764 -1.468 6.269 6.185 1.00 0.00 N ATOM 0 H GLN A 764 -6.274 3.746 6.461 1.00 0.00 H new ATOM 0 HA GLN A 764 -6.514 6.457 5.968 1.00 0.00 H new ATOM 0 HB2 GLN A 764 -4.701 5.296 7.197 1.00 0.00 H new ATOM 0 HB3 GLN A 764 -4.088 4.684 5.673 1.00 0.00 H new ATOM 0 HG2 GLN A 764 -3.554 6.910 4.902 1.00 0.00 H new ATOM 0 HG3 GLN A 764 -4.388 7.643 6.257 1.00 0.00 H new ATOM 0 HE21 GLN A 764 -1.522 5.935 5.223 1.00 0.00 H new ATOM 0 HE22 GLN A 764 -0.582 6.231 6.689 1.00 0.00 H new ATOM 637 N ASP A 765 -5.831 4.729 3.256 1.00 0.00 N ATOM 638 CA ASP A 765 -5.861 4.922 1.820 1.00 0.00 C ATOM 639 C ASP A 765 -7.086 4.353 1.158 1.00 0.00 C ATOM 640 O ASP A 765 -7.365 4.690 0.007 1.00 0.00 O ATOM 641 CB ASP A 765 -4.617 4.347 1.146 1.00 0.00 C ATOM 642 CG ASP A 765 -3.347 5.100 1.463 1.00 0.00 C ATOM 643 OD1 ASP A 765 -3.115 6.161 0.864 1.00 0.00 O ATOM 644 OD2 ASP A 765 -2.534 4.608 2.283 1.00 0.00 O ATOM 0 H ASP A 765 -5.670 3.774 3.577 1.00 0.00 H new ATOM 0 HA ASP A 765 -5.886 6.004 1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 765 -4.498 3.308 1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 765 -4.768 4.346 0.066 1.00 0.00 H new ATOM 649 N GLY A 766 -7.878 3.558 1.885 1.00 0.00 N ATOM 650 CA GLY A 766 -9.073 2.913 1.279 1.00 0.00 C ATOM 651 C GLY A 766 -8.701 2.044 0.077 1.00 0.00 C ATOM 652 O GLY A 766 -9.563 1.627 -0.704 1.00 0.00 O ATOM 0 H GLY A 766 -7.729 3.342 2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -9.575 2.301 2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -9.782 3.680 0.967 1.00 0.00 H new ATOM 656 N ASP A 767 -7.418 1.776 -0.051 1.00 0.00 N ATOM 657 CA ASP A 767 -6.864 1.044 -1.163 1.00 0.00 C ATOM 658 C ASP A 767 -6.654 -0.377 -0.759 1.00 0.00 C ATOM 659 O ASP A 767 -7.328 -1.262 -1.274 1.00 0.00 O ATOM 660 CB ASP A 767 -5.528 1.678 -1.667 1.00 0.00 C ATOM 661 CG ASP A 767 -5.679 2.980 -2.411 1.00 0.00 C ATOM 662 OD1 ASP A 767 -6.388 3.021 -3.437 1.00 0.00 O ATOM 663 OD2 ASP A 767 -5.047 3.977 -2.010 1.00 0.00 O ATOM 0 H ASP A 767 -6.719 2.069 0.632 1.00 0.00 H new ATOM 0 HA ASP A 767 -7.570 1.089 -1.993 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -4.875 1.841 -0.810 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -5.027 0.962 -2.318 1.00 0.00 H new ATOM 668 N GLN A 768 -5.709 -0.560 0.178 1.00 0.00 N ATOM 669 CA GLN A 768 -5.366 -1.829 0.829 1.00 0.00 C ATOM 670 C GLN A 768 -5.486 -3.003 -0.105 1.00 0.00 C ATOM 671 O GLN A 768 -6.462 -3.690 -0.031 1.00 0.00 O ATOM 672 CB GLN A 768 -6.283 -2.035 2.016 1.00 0.00 C ATOM 673 CG GLN A 768 -5.647 -2.557 3.236 1.00 0.00 C ATOM 674 CD GLN A 768 -6.622 -2.558 4.392 1.00 0.00 C ATOM 675 OE1 GLN A 768 -6.760 -1.584 5.086 1.00 0.00 O ATOM 676 NE2 GLN A 768 -7.240 -3.674 4.660 1.00 0.00 N ATOM 0 H GLN A 768 -5.137 0.213 0.517 1.00 0.00 H new ATOM 0 HA GLN A 768 -4.325 -1.771 1.147 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -6.756 -1.082 2.255 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -7.078 -2.720 1.722 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -5.286 -3.570 3.058 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -4.778 -1.948 3.488 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -7.108 -4.487 4.058 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -7.855 -3.734 5.471 1.00 0.00 H new ATOM 685 N GLU A 769 -4.447 -3.230 -0.935 1.00 0.00 N ATOM 686 CA GLU A 769 -4.362 -4.304 -2.018 1.00 0.00 C ATOM 687 C GLU A 769 -3.430 -3.857 -3.138 1.00 0.00 C ATOM 688 O GLU A 769 -3.541 -4.322 -4.266 1.00 0.00 O ATOM 689 CB GLU A 769 -5.700 -4.665 -2.698 1.00 0.00 C ATOM 690 CG GLU A 769 -6.524 -5.696 -1.978 1.00 0.00 C ATOM 691 CD GLU A 769 -7.750 -6.065 -2.731 1.00 0.00 C ATOM 692 OE1 GLU A 769 -8.781 -5.381 -2.588 1.00 0.00 O ATOM 693 OE2 GLU A 769 -7.702 -7.040 -3.510 1.00 0.00 O ATOM 0 H GLU A 769 -3.599 -2.665 -0.890 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.004 -5.182 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -6.293 -3.757 -2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -5.492 -5.027 -3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -5.921 -6.588 -1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -6.805 -5.313 -0.997 1.00 0.00 H new ATOM 700 N LEU A 770 -2.500 -2.996 -2.835 1.00 0.00 N ATOM 701 CA LEU A 770 -1.664 -2.433 -3.883 1.00 0.00 C ATOM 702 C LEU A 770 -0.162 -2.716 -3.628 1.00 0.00 C ATOM 703 O LEU A 770 0.336 -2.453 -2.524 1.00 0.00 O ATOM 704 CB LEU A 770 -1.907 -0.911 -3.999 1.00 0.00 C ATOM 705 CG LEU A 770 -3.125 -0.381 -4.806 1.00 0.00 C ATOM 706 CD1 LEU A 770 -4.469 -0.795 -4.201 1.00 0.00 C ATOM 707 CD2 LEU A 770 -3.051 1.133 -4.931 1.00 0.00 C ATOM 0 H LEU A 770 -2.296 -2.667 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 770 -1.939 -2.914 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 770 -1.992 -0.518 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -1.011 -0.471 -4.437 1.00 0.00 H new ATOM 0 HG LEU A 770 -3.071 -0.837 -5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 770 -5.280 -0.395 -4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 770 -4.537 -1.883 -4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 770 -4.548 -0.403 -3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 770 -3.909 1.494 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -3.059 1.581 -3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -2.132 1.411 -5.447 1.00 0.00 H new ATOM 719 N THR A 771 0.547 -3.276 -4.615 1.00 0.00 N ATOM 720 CA THR A 771 1.950 -3.583 -4.457 1.00 0.00 C ATOM 721 C THR A 771 2.818 -2.352 -4.761 1.00 0.00 C ATOM 722 O THR A 771 2.319 -1.360 -5.288 1.00 0.00 O ATOM 723 CB THR A 771 2.402 -4.796 -5.330 1.00 0.00 C ATOM 724 OG1 THR A 771 2.688 -4.422 -6.666 1.00 0.00 O ATOM 725 CG2 THR A 771 1.330 -5.835 -5.384 1.00 0.00 C ATOM 0 H THR A 771 0.161 -3.521 -5.527 1.00 0.00 H new ATOM 0 HA THR A 771 2.090 -3.868 -3.414 1.00 0.00 H new ATOM 0 HB THR A 771 3.305 -5.183 -4.859 1.00 0.00 H new ATOM 0 HG1 THR A 771 2.968 -5.212 -7.174 1.00 0.00 H new ATOM 0 HG21 THR A 771 1.665 -6.672 -5.997 1.00 0.00 H new ATOM 0 HG22 THR A 771 1.114 -6.188 -4.376 1.00 0.00 H new ATOM 0 HG23 THR A 771 0.428 -5.405 -5.819 1.00 0.00 H new ATOM 733 N GLU A 772 4.116 -2.419 -4.404 1.00 0.00 N ATOM 734 CA GLU A 772 5.079 -1.364 -4.647 1.00 0.00 C ATOM 735 C GLU A 772 5.126 -1.066 -6.140 1.00 0.00 C ATOM 736 O GLU A 772 5.220 0.090 -6.548 1.00 0.00 O ATOM 737 CB GLU A 772 6.445 -1.798 -4.056 1.00 0.00 C ATOM 738 CG GLU A 772 7.555 -0.755 -4.009 1.00 0.00 C ATOM 739 CD GLU A 772 8.282 -0.620 -5.314 1.00 0.00 C ATOM 740 OE1 GLU A 772 8.989 -1.578 -5.713 1.00 0.00 O ATOM 741 OE2 GLU A 772 8.182 0.439 -5.960 1.00 0.00 O ATOM 0 H GLU A 772 4.517 -3.229 -3.931 1.00 0.00 H new ATOM 0 HA GLU A 772 4.796 -0.434 -4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 772 6.274 -2.153 -3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 772 6.807 -2.648 -4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 772 7.129 0.210 -3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 772 8.267 -1.023 -3.228 1.00 0.00 H new ATOM 748 N HIS A 773 4.952 -2.115 -6.963 1.00 0.00 N ATOM 749 CA HIS A 773 4.959 -1.913 -8.413 1.00 0.00 C ATOM 750 C HIS A 773 3.713 -1.176 -8.872 1.00 0.00 C ATOM 751 O HIS A 773 3.778 -0.342 -9.783 1.00 0.00 O ATOM 752 CB HIS A 773 5.134 -3.215 -9.202 1.00 0.00 C ATOM 753 CG HIS A 773 6.472 -3.842 -9.042 1.00 0.00 C ATOM 754 ND1 HIS A 773 6.669 -5.094 -8.504 1.00 0.00 N ATOM 755 CD2 HIS A 773 7.683 -3.398 -9.408 1.00 0.00 C ATOM 756 CE1 HIS A 773 7.958 -5.384 -8.554 1.00 0.00 C ATOM 757 NE2 HIS A 773 8.590 -4.372 -9.099 1.00 0.00 N ATOM 0 H HIS A 773 4.810 -3.078 -6.658 1.00 0.00 H new ATOM 0 HA HIS A 773 5.832 -1.296 -8.626 1.00 0.00 H new ATOM 0 HB2 HIS A 773 4.371 -3.926 -8.885 1.00 0.00 H new ATOM 0 HB3 HIS A 773 4.962 -3.013 -10.259 1.00 0.00 H new ATOM 0 HD2 HIS A 773 7.902 -2.444 -9.864 1.00 0.00 H new ATOM 0 HE1 HIS A 773 8.413 -6.299 -8.205 1.00 0.00 H new ATOM 0 HE2 HIS A 773 9.595 -4.321 -9.265 1.00 0.00 H new ATOM 765 N GLU A 774 2.584 -1.442 -8.221 1.00 0.00 N ATOM 766 CA GLU A 774 1.331 -0.760 -8.600 1.00 0.00 C ATOM 767 C GLU A 774 1.325 0.670 -8.076 1.00 0.00 C ATOM 768 O GLU A 774 0.944 1.592 -8.779 1.00 0.00 O ATOM 769 CB GLU A 774 0.109 -1.511 -8.099 1.00 0.00 C ATOM 770 CG GLU A 774 0.085 -2.953 -8.545 1.00 0.00 C ATOM 771 CD GLU A 774 -1.041 -3.719 -7.928 1.00 0.00 C ATOM 772 OE1 GLU A 774 -0.956 -4.056 -6.749 1.00 0.00 O ATOM 773 OE2 GLU A 774 -2.028 -4.006 -8.617 1.00 0.00 O ATOM 0 H GLU A 774 2.501 -2.104 -7.449 1.00 0.00 H new ATOM 0 HA GLU A 774 1.283 -0.740 -9.689 1.00 0.00 H new ATOM 0 HB2 GLU A 774 0.085 -1.472 -7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -0.791 -1.010 -8.456 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -0.003 -2.994 -9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 774 1.031 -3.428 -8.284 1.00 0.00 H new