USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=8 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= -8.97! C(o=-9!,f=-13!) USER MOD Single : A 735 LYS NZ :NH3+ -171:sc= 1.21 (180deg=1.17) USER MOD Single : A 737 ASN :FLIP amide:sc= -0.491 F(o=-1.6,f=-0.49) USER MOD Single : A 743 GLN : amide:sc= -1.47! X(o=-1.5!,f=-1.5) USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 748 LYS NZ :NH3+ -155:sc= -0.0591 (180deg=-1.04) USER MOD Single : A 750 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 751 THR OG1 : rot -57:sc= 1.18 USER MOD Single : A 760 THR OG1 : rot 78:sc= 0.799 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= -0.357 X(o=-0.36,f=-0.83) USER MOD Single : A 768 GLN :FLIP amide:sc= -4.51! C(o=-5.7!,f=-4.5!) USER MOD Single : A 771 THR OG1 : rot 180:sc= -0.0579 USER MOD Single : A 773 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 87 N ARG A 730 7.982 -8.134 4.518 1.00 0.00 N ATOM 88 CA ARG A 730 7.589 -8.024 3.125 1.00 0.00 C ATOM 89 C ARG A 730 6.388 -7.124 2.919 1.00 0.00 C ATOM 90 O ARG A 730 6.314 -6.367 1.945 1.00 0.00 O ATOM 91 CB ARG A 730 7.415 -9.373 2.445 1.00 0.00 C ATOM 92 CG ARG A 730 6.808 -10.469 3.293 1.00 0.00 C ATOM 93 CD ARG A 730 6.635 -11.748 2.502 1.00 0.00 C ATOM 94 NE ARG A 730 7.924 -12.322 2.116 1.00 0.00 N ATOM 95 CZ ARG A 730 8.106 -13.548 1.631 1.00 0.00 C ATOM 96 NH1 ARG A 730 7.068 -14.363 1.453 1.00 0.00 N ATOM 97 NH2 ARG A 730 9.333 -13.964 1.355 1.00 0.00 N ATOM 0 HA ARG A 730 8.429 -7.538 2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 730 6.790 -9.235 1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 730 8.391 -9.710 2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 730 7.445 -10.657 4.157 1.00 0.00 H new ATOM 0 HG3 ARG A 730 5.841 -10.142 3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 730 6.078 -12.472 3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 730 6.044 -11.547 1.609 1.00 0.00 H new ATOM 0 HE ARG A 730 8.751 -11.735 2.228 1.00 0.00 H new ATOM 0 HH11 ARG A 730 6.127 -14.049 1.689 1.00 0.00 H new ATOM 0 HH12 ARG A 730 7.214 -15.301 1.081 1.00 0.00 H new ATOM 0 HH21 ARG A 730 10.129 -13.346 1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 730 9.482 -14.902 0.983 1.00 0.00 H new ATOM 111 N GLN A 731 5.452 -7.222 3.816 1.00 0.00 N ATOM 112 CA GLN A 731 4.293 -6.365 3.806 1.00 0.00 C ATOM 113 C GLN A 731 4.648 -5.038 4.434 1.00 0.00 C ATOM 114 O GLN A 731 4.368 -3.984 3.891 1.00 0.00 O ATOM 115 CB GLN A 731 3.167 -7.040 4.581 1.00 0.00 C ATOM 116 CG GLN A 731 1.999 -6.140 4.986 1.00 0.00 C ATOM 117 CD GLN A 731 1.323 -5.416 3.836 1.00 0.00 C ATOM 118 OE1 GLN A 731 0.815 -4.344 4.012 1.00 0.00 O ATOM 119 NE2 GLN A 731 1.231 -6.035 2.690 1.00 0.00 N ATOM 0 H GLN A 731 5.466 -7.899 4.579 1.00 0.00 H new ATOM 0 HA GLN A 731 3.963 -6.190 2.782 1.00 0.00 H new ATOM 0 HB2 GLN A 731 2.776 -7.859 3.976 1.00 0.00 H new ATOM 0 HB3 GLN A 731 3.588 -7.483 5.483 1.00 0.00 H new ATOM 0 HG2 GLN A 731 1.255 -6.746 5.503 1.00 0.00 H new ATOM 0 HG3 GLN A 731 2.360 -5.400 5.700 1.00 0.00 H new ATOM 0 HE21 GLN A 731 1.672 -6.946 2.566 1.00 0.00 H new ATOM 0 HE22 GLN A 731 0.718 -5.607 1.919 1.00 0.00 H new ATOM 128 N GLY A 732 5.313 -5.128 5.553 1.00 0.00 N ATOM 129 CA GLY A 732 5.679 -3.958 6.317 1.00 0.00 C ATOM 130 C GLY A 732 6.711 -3.085 5.624 1.00 0.00 C ATOM 131 O GLY A 732 6.946 -1.940 6.018 1.00 0.00 O ATOM 0 H GLY A 732 5.618 -6.011 5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 732 4.785 -3.366 6.512 1.00 0.00 H new ATOM 0 HA3 GLY A 732 6.070 -4.272 7.284 1.00 0.00 H new ATOM 135 N GLY A 733 7.337 -3.623 4.624 1.00 0.00 N ATOM 136 CA GLY A 733 8.306 -2.891 3.906 1.00 0.00 C ATOM 137 C GLY A 733 8.239 -3.172 2.451 1.00 0.00 C ATOM 138 O GLY A 733 9.131 -3.825 1.900 1.00 0.00 O ATOM 0 H GLY A 733 7.185 -4.576 4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 733 8.158 -1.825 4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 733 9.300 -3.139 4.279 1.00 0.00 H new ATOM 142 N GLY A 734 7.189 -2.737 1.826 1.00 0.00 N ATOM 143 CA GLY A 734 7.088 -2.908 0.423 1.00 0.00 C ATOM 144 C GLY A 734 5.790 -2.411 -0.137 1.00 0.00 C ATOM 145 O GLY A 734 5.759 -1.446 -0.884 1.00 0.00 O ATOM 0 H GLY A 734 6.399 -2.265 2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 734 7.911 -2.382 -0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 734 7.200 -3.965 0.183 1.00 0.00 H new ATOM 149 N LYS A 735 4.715 -3.049 0.245 1.00 0.00 N ATOM 150 CA LYS A 735 3.412 -2.727 -0.313 1.00 0.00 C ATOM 151 C LYS A 735 2.338 -3.063 0.690 1.00 0.00 C ATOM 152 O LYS A 735 2.611 -3.800 1.605 1.00 0.00 O ATOM 153 CB LYS A 735 3.177 -3.512 -1.632 1.00 0.00 C ATOM 154 CG LYS A 735 2.746 -5.009 -1.518 1.00 0.00 C ATOM 155 CD LYS A 735 3.720 -5.924 -0.738 1.00 0.00 C ATOM 156 CE LYS A 735 5.073 -6.066 -1.426 1.00 0.00 C ATOM 157 NZ LYS A 735 5.933 -7.067 -0.758 1.00 0.00 N ATOM 0 H LYS A 735 4.708 -3.796 0.940 1.00 0.00 H new ATOM 0 HA LYS A 735 3.375 -1.661 -0.537 1.00 0.00 H new ATOM 0 HB2 LYS A 735 2.413 -2.986 -2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 735 4.097 -3.471 -2.215 1.00 0.00 H new ATOM 0 HG2 LYS A 735 1.769 -5.052 -1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 735 2.623 -5.411 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 735 3.867 -5.521 0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 735 3.271 -6.910 -0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 735 4.922 -6.354 -2.466 1.00 0.00 H new ATOM 0 HE3 LYS A 735 5.579 -5.101 -1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 6.892 -7.024 -1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 5.975 -6.864 0.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 5.538 -8.018 -0.906 1.00 0.00 H new ATOM 171 N LEU A 736 1.116 -2.552 0.515 1.00 0.00 N ATOM 172 CA LEU A 736 0.032 -2.914 1.451 1.00 0.00 C ATOM 173 C LEU A 736 -1.131 -3.459 0.676 1.00 0.00 C ATOM 174 O LEU A 736 -1.621 -2.816 -0.262 1.00 0.00 O ATOM 175 CB LEU A 736 -0.484 -1.735 2.252 1.00 0.00 C ATOM 176 CG LEU A 736 0.522 -0.738 2.804 1.00 0.00 C ATOM 177 CD1 LEU A 736 -0.194 0.499 3.277 1.00 0.00 C ATOM 178 CD2 LEU A 736 1.296 -1.336 3.945 1.00 0.00 C ATOM 0 H LEU A 736 0.852 -1.911 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 736 0.455 -3.645 2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -1.183 -1.186 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -1.055 -2.130 3.092 1.00 0.00 H new ATOM 0 HG LEU A 736 1.220 -0.478 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 736 0.531 1.211 3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -0.729 0.951 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -0.903 0.232 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 736 2.010 -0.604 4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 736 0.609 -1.619 4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 736 1.832 -2.219 3.598 1.00 0.00 H new ATOM 190 N ASN A 737 -1.619 -4.601 1.054 1.00 0.00 N ATOM 191 CA ASN A 737 -2.731 -5.223 0.302 1.00 0.00 C ATOM 192 C ASN A 737 -3.699 -5.743 1.284 1.00 0.00 C ATOM 193 O ASN A 737 -3.326 -5.994 2.193 1.00 0.00 O ATOM 194 CB ASN A 737 -2.287 -6.380 -0.643 1.00 0.00 C ATOM 195 CG ASN A 737 -1.065 -6.164 -1.552 1.00 0.00 C ATOM 196 OD1 ASN A 737 -0.744 -4.972 -1.883 1.00 0.00 O flip ATOM 197 ND2 ASN A 737 -0.395 -7.107 -1.913 1.00 0.00 N flip ATOM 0 H ASN A 737 -1.291 -5.134 1.860 1.00 0.00 H new ATOM 0 HA ASN A 737 -3.162 -4.457 -0.343 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -2.088 -7.254 -0.024 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -3.134 -6.628 -1.282 1.00 0.00 H new ATOM 0 HD21 ASN A 737 -0.660 -8.054 -1.643 1.00 0.00 H new ATOM 0 HD22 ASN A 737 0.434 -6.954 -2.487 1.00 0.00 H new ATOM 204 N PHE A 738 -4.962 -5.790 1.065 1.00 0.00 N ATOM 205 CA PHE A 738 -5.899 -6.381 2.063 1.00 0.00 C ATOM 206 C PHE A 738 -5.352 -7.714 2.650 1.00 0.00 C ATOM 207 O PHE A 738 -4.954 -7.731 3.807 1.00 0.00 O ATOM 208 CB PHE A 738 -7.250 -6.574 1.420 1.00 0.00 C ATOM 209 CG PHE A 738 -8.282 -7.219 2.297 1.00 0.00 C ATOM 210 CD1 PHE A 738 -8.662 -6.633 3.485 1.00 0.00 C ATOM 211 CD2 PHE A 738 -8.864 -8.405 1.933 1.00 0.00 C ATOM 212 CE1 PHE A 738 -9.600 -7.218 4.288 1.00 0.00 C ATOM 213 CE2 PHE A 738 -9.810 -8.999 2.736 1.00 0.00 C ATOM 214 CZ PHE A 738 -10.177 -8.401 3.914 1.00 0.00 C ATOM 0 H PHE A 738 -5.410 -5.438 0.219 1.00 0.00 H new ATOM 0 HA PHE A 738 -5.998 -5.693 2.903 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -7.625 -5.602 1.098 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -7.126 -7.181 0.523 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -8.212 -5.698 3.786 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -8.577 -8.878 1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -9.886 -6.747 5.217 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -10.262 -9.934 2.439 1.00 0.00 H new ATOM 0 HZ PHE A 738 -10.921 -8.863 4.546 1.00 0.00 H new ATOM 224 N ASP A 739 -5.241 -8.764 1.841 1.00 0.00 N ATOM 225 CA ASP A 739 -4.696 -10.065 2.316 1.00 0.00 C ATOM 226 C ASP A 739 -3.210 -10.006 2.649 1.00 0.00 C ATOM 227 O ASP A 739 -2.710 -10.791 3.462 1.00 0.00 O ATOM 228 CB ASP A 739 -4.945 -11.209 1.337 1.00 0.00 C ATOM 229 CG ASP A 739 -6.304 -11.825 1.469 1.00 0.00 C ATOM 230 OD1 ASP A 739 -7.281 -11.283 0.916 1.00 0.00 O ATOM 231 OD2 ASP A 739 -6.417 -12.883 2.125 1.00 0.00 O ATOM 0 H ASP A 739 -5.514 -8.756 0.858 1.00 0.00 H new ATOM 0 HA ASP A 739 -5.248 -10.267 3.234 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -4.820 -10.839 0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -4.189 -11.979 1.491 1.00 0.00 H new ATOM 236 N GLU A 740 -2.494 -9.103 2.027 1.00 0.00 N ATOM 237 CA GLU A 740 -1.066 -8.974 2.296 1.00 0.00 C ATOM 238 C GLU A 740 -0.857 -8.084 3.521 1.00 0.00 C ATOM 239 O GLU A 740 -0.002 -8.350 4.338 1.00 0.00 O ATOM 240 CB GLU A 740 -0.346 -8.399 1.080 1.00 0.00 C ATOM 241 CG GLU A 740 1.106 -8.792 0.888 1.00 0.00 C ATOM 242 CD GLU A 740 1.243 -10.174 0.328 1.00 0.00 C ATOM 243 OE1 GLU A 740 0.958 -10.361 -0.866 1.00 0.00 O ATOM 244 OE2 GLU A 740 1.624 -11.096 1.052 1.00 0.00 O ATOM 0 H GLU A 740 -2.862 -8.449 1.337 1.00 0.00 H new ATOM 0 HA GLU A 740 -0.647 -9.959 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -0.898 -8.696 0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -0.397 -7.312 1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 740 1.589 -8.080 0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 740 1.627 -8.735 1.844 1.00 0.00 H new ATOM 251 N LEU A 741 -1.669 -7.040 3.650 1.00 0.00 N ATOM 252 CA LEU A 741 -1.632 -6.085 4.772 1.00 0.00 C ATOM 253 C LEU A 741 -1.812 -6.827 6.046 1.00 0.00 C ATOM 254 O LEU A 741 -1.326 -6.429 7.068 1.00 0.00 O ATOM 255 CB LEU A 741 -2.761 -5.060 4.685 1.00 0.00 C ATOM 256 CG LEU A 741 -2.879 -4.124 5.859 1.00 0.00 C ATOM 257 CD1 LEU A 741 -2.055 -2.860 5.674 1.00 0.00 C ATOM 258 CD2 LEU A 741 -4.289 -3.833 6.130 1.00 0.00 C ATOM 0 H LEU A 741 -2.392 -6.822 2.965 1.00 0.00 H new ATOM 0 HA LEU A 741 -0.673 -5.569 4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -2.620 -4.466 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -3.705 -5.594 4.572 1.00 0.00 H new ATOM 0 HG LEU A 741 -2.461 -4.623 6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -2.173 -2.218 6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -1.004 -3.125 5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -2.396 -2.330 4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -4.364 -3.155 6.981 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -4.739 -3.366 5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -4.815 -4.760 6.358 1.00 0.00 H new ATOM 270 N ARG A 742 -2.541 -7.948 5.957 1.00 0.00 N ATOM 271 CA ARG A 742 -2.763 -8.807 7.082 1.00 0.00 C ATOM 272 C ARG A 742 -1.451 -9.234 7.587 1.00 0.00 C ATOM 273 O ARG A 742 -1.300 -9.270 8.643 1.00 0.00 O ATOM 274 CB ARG A 742 -3.539 -10.066 6.768 1.00 0.00 C ATOM 275 CG ARG A 742 -4.623 -9.956 5.758 1.00 0.00 C ATOM 276 CD ARG A 742 -5.835 -9.183 6.215 1.00 0.00 C ATOM 277 NE ARG A 742 -7.017 -9.635 5.493 1.00 0.00 N ATOM 278 CZ ARG A 742 -7.620 -10.824 5.610 1.00 0.00 C ATOM 279 NH1 ARG A 742 -7.201 -11.730 6.487 1.00 0.00 N ATOM 280 NH2 ARG A 742 -8.608 -11.113 4.810 1.00 0.00 N ATOM 0 H ARG A 742 -2.984 -8.267 5.095 1.00 0.00 H new ATOM 0 HA ARG A 742 -3.351 -8.231 7.796 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -2.833 -10.823 6.426 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -3.977 -10.434 7.696 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -4.221 -9.479 4.864 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -4.936 -10.960 5.471 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -5.980 -9.318 7.287 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -5.681 -8.117 6.046 1.00 0.00 H new ATOM 0 HE ARG A 742 -7.427 -8.977 4.830 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -6.404 -11.526 7.089 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -7.677 -12.629 6.558 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -8.910 -10.437 4.108 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -9.079 -12.015 4.886 1.00 0.00 H new ATOM 294 N GLN A 743 -0.477 -9.457 6.752 1.00 0.00 N ATOM 295 CA GLN A 743 0.860 -9.873 7.203 1.00 0.00 C ATOM 296 C GLN A 743 1.359 -8.918 8.263 1.00 0.00 C ATOM 297 O GLN A 743 2.029 -9.300 9.214 1.00 0.00 O ATOM 298 CB GLN A 743 1.806 -9.896 6.052 1.00 0.00 C ATOM 299 CG GLN A 743 2.639 -11.159 5.933 1.00 0.00 C ATOM 300 CD GLN A 743 2.881 -11.523 4.494 1.00 0.00 C ATOM 301 OE1 GLN A 743 3.910 -12.075 4.141 1.00 0.00 O ATOM 302 NE2 GLN A 743 1.898 -11.261 3.669 1.00 0.00 N ATOM 0 H GLN A 743 -0.566 -9.362 5.740 1.00 0.00 H new ATOM 0 HA GLN A 743 0.797 -10.876 7.624 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.238 -9.765 5.131 1.00 0.00 H new ATOM 0 HB3 GLN A 743 2.478 -9.042 6.136 1.00 0.00 H new ATOM 0 HG2 GLN A 743 3.594 -11.016 6.439 1.00 0.00 H new ATOM 0 HG3 GLN A 743 2.131 -11.981 6.437 1.00 0.00 H new ATOM 0 HE21 GLN A 743 1.056 -10.797 4.010 1.00 0.00 H new ATOM 0 HE22 GLN A 743 1.975 -11.521 2.686 1.00 0.00 H new ATOM 311 N ASP A 744 0.931 -7.695 8.115 1.00 0.00 N ATOM 312 CA ASP A 744 1.236 -6.675 9.066 1.00 0.00 C ATOM 313 C ASP A 744 0.328 -6.779 10.281 1.00 0.00 C ATOM 314 O ASP A 744 0.797 -6.832 11.418 1.00 0.00 O ATOM 315 CB ASP A 744 1.121 -5.299 8.485 1.00 0.00 C ATOM 316 CG ASP A 744 2.278 -4.442 8.987 1.00 0.00 C ATOM 317 OD1 ASP A 744 3.457 -4.736 8.653 1.00 0.00 O ATOM 318 OD2 ASP A 744 2.034 -3.512 9.781 1.00 0.00 O ATOM 0 H ASP A 744 0.361 -7.382 7.329 1.00 0.00 H new ATOM 0 HA ASP A 744 2.273 -6.833 9.364 1.00 0.00 H new ATOM 0 HB2 ASP A 744 1.136 -5.349 7.396 1.00 0.00 H new ATOM 0 HB3 ASP A 744 0.170 -4.850 8.770 1.00 0.00 H new ATOM 323 N LEU A 745 -0.966 -6.835 10.016 1.00 0.00 N ATOM 324 CA LEU A 745 -2.010 -6.880 11.030 1.00 0.00 C ATOM 325 C LEU A 745 -2.820 -8.187 11.045 1.00 0.00 C ATOM 326 O LEU A 745 -4.052 -8.174 11.127 1.00 0.00 O ATOM 327 CB LEU A 745 -2.891 -5.635 10.914 1.00 0.00 C ATOM 328 CG LEU A 745 -3.212 -5.125 9.509 1.00 0.00 C ATOM 329 CD1 LEU A 745 -4.199 -6.023 8.818 1.00 0.00 C ATOM 330 CD2 LEU A 745 -3.711 -3.701 9.595 1.00 0.00 C ATOM 0 H LEU A 745 -1.331 -6.851 9.064 1.00 0.00 H new ATOM 0 HA LEU A 745 -1.518 -6.873 12.003 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -3.834 -5.842 11.420 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -2.406 -4.827 11.462 1.00 0.00 H new ATOM 0 HG LEU A 745 -2.304 -5.138 8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -4.408 -5.635 7.821 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -3.783 -7.027 8.737 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -5.123 -6.059 9.394 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -3.941 -3.335 8.594 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -4.611 -3.667 10.209 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -2.942 -3.072 10.044 1.00 0.00 H new ATOM 342 N LYS A 746 -2.123 -9.309 10.941 1.00 0.00 N ATOM 343 CA LYS A 746 -2.759 -10.620 10.923 1.00 0.00 C ATOM 344 C LYS A 746 -3.577 -10.856 12.196 1.00 0.00 C ATOM 345 O LYS A 746 -3.039 -10.815 13.307 1.00 0.00 O ATOM 346 CB LYS A 746 -1.738 -11.787 10.730 1.00 0.00 C ATOM 347 CG LYS A 746 -1.117 -11.964 9.348 1.00 0.00 C ATOM 348 CD LYS A 746 -0.652 -13.387 9.172 1.00 0.00 C ATOM 349 CE LYS A 746 -0.197 -13.660 7.760 1.00 0.00 C ATOM 350 NZ LYS A 746 0.256 -15.049 7.610 1.00 0.00 N ATOM 0 H LYS A 746 -1.106 -9.338 10.867 1.00 0.00 H new ATOM 0 HA LYS A 746 -3.425 -10.618 10.060 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -0.928 -11.646 11.446 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -2.239 -12.718 10.994 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -1.846 -11.713 8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -0.277 -11.280 9.227 1.00 0.00 H new ATOM 0 HD2 LYS A 746 0.167 -13.589 9.863 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -1.463 -14.068 9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -1.015 -13.464 7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 746 0.613 -12.980 7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 0.563 -15.210 6.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 1.052 -15.226 8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -0.526 -15.696 7.838 1.00 0.00 H new ATOM 364 N GLY A 747 -4.855 -11.110 12.027 1.00 0.00 N ATOM 365 CA GLY A 747 -5.729 -11.305 13.156 1.00 0.00 C ATOM 366 C GLY A 747 -6.262 -9.966 13.653 1.00 0.00 C ATOM 367 O GLY A 747 -5.535 -9.231 14.322 1.00 0.00 O ATOM 0 H GLY A 747 -5.310 -11.186 11.117 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -6.560 -11.952 12.874 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -5.190 -11.810 13.958 1.00 0.00 H new ATOM 371 N LYS A 748 -7.517 -9.635 13.339 1.00 0.00 N ATOM 372 CA LYS A 748 -8.064 -8.301 13.703 1.00 0.00 C ATOM 373 C LYS A 748 -9.574 -8.214 13.496 1.00 0.00 C ATOM 374 O LYS A 748 -10.257 -7.473 14.195 1.00 0.00 O ATOM 375 CB LYS A 748 -7.395 -7.132 12.893 1.00 0.00 C ATOM 376 CG LYS A 748 -7.793 -7.057 11.411 1.00 0.00 C ATOM 377 CD LYS A 748 -7.321 -8.298 10.685 1.00 0.00 C ATOM 378 CE LYS A 748 -8.236 -8.653 9.585 1.00 0.00 C ATOM 379 NZ LYS A 748 -7.932 -9.974 9.011 1.00 0.00 N ATOM 0 H LYS A 748 -8.169 -10.246 12.846 1.00 0.00 H new ATOM 0 HA LYS A 748 -7.833 -8.187 14.762 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -7.651 -6.186 13.371 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -6.312 -7.239 12.958 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -8.875 -6.962 11.321 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -7.356 -6.170 10.953 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -6.319 -8.132 10.289 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -7.252 -9.129 11.387 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -9.262 -8.646 9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -8.172 -7.896 8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -8.274 -10.013 8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -6.904 -10.131 9.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -8.403 -10.713 9.571 1.00 0.00 H new ATOM 393 N GLY A 749 -10.091 -8.976 12.549 1.00 0.00 N ATOM 394 CA GLY A 749 -11.466 -8.820 12.181 1.00 0.00 C ATOM 395 C GLY A 749 -12.221 -10.120 12.245 1.00 0.00 C ATOM 396 O GLY A 749 -11.626 -11.172 12.504 1.00 0.00 O ATOM 0 H GLY A 749 -9.581 -9.694 12.035 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -11.938 -8.094 12.844 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -11.527 -8.416 11.171 1.00 0.00 H new ATOM 400 N HIS A 750 -13.503 -10.056 12.002 1.00 0.00 N ATOM 401 CA HIS A 750 -14.354 -11.232 12.004 1.00 0.00 C ATOM 402 C HIS A 750 -14.338 -11.887 10.640 1.00 0.00 C ATOM 403 O HIS A 750 -13.679 -12.908 10.445 1.00 0.00 O ATOM 404 CB HIS A 750 -15.790 -10.894 12.421 1.00 0.00 C ATOM 405 CG HIS A 750 -15.929 -10.398 13.812 1.00 0.00 C ATOM 406 ND1 HIS A 750 -16.498 -9.182 14.115 1.00 0.00 N ATOM 407 CD2 HIS A 750 -15.569 -10.943 14.990 1.00 0.00 C ATOM 408 CE1 HIS A 750 -16.475 -9.002 15.414 1.00 0.00 C ATOM 409 NE2 HIS A 750 -15.918 -10.053 15.969 1.00 0.00 N ATOM 0 H HIS A 750 -13.995 -9.187 11.796 1.00 0.00 H new ATOM 0 HA HIS A 750 -13.957 -11.930 12.741 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -16.184 -10.140 11.739 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -16.408 -11.784 12.303 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -15.094 -11.902 15.135 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -16.851 -8.136 15.938 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -15.769 -10.185 16.969 1.00 0.00 H new ATOM 417 N THR A 751 -15.046 -11.313 9.695 1.00 0.00 N ATOM 418 CA THR A 751 -15.008 -11.821 8.348 1.00 0.00 C ATOM 419 C THR A 751 -14.281 -10.884 7.430 1.00 0.00 C ATOM 420 O THR A 751 -14.297 -9.663 7.633 1.00 0.00 O ATOM 421 CB THR A 751 -16.399 -12.177 7.778 1.00 0.00 C ATOM 422 OG1 THR A 751 -17.393 -11.178 8.041 1.00 0.00 O ATOM 423 CG2 THR A 751 -16.849 -13.540 8.226 1.00 0.00 C ATOM 0 H THR A 751 -15.649 -10.502 9.834 1.00 0.00 H new ATOM 0 HA THR A 751 -14.454 -12.758 8.405 1.00 0.00 H new ATOM 0 HB THR A 751 -16.282 -12.204 6.695 1.00 0.00 H new ATOM 0 HG1 THR A 751 -17.455 -11.025 9.007 1.00 0.00 H new ATOM 0 HG21 THR A 751 -17.831 -13.755 7.805 1.00 0.00 H new ATOM 0 HG22 THR A 751 -16.135 -14.289 7.884 1.00 0.00 H new ATOM 0 HG23 THR A 751 -16.907 -13.565 9.314 1.00 0.00 H new ATOM 431 N ASP A 752 -13.643 -11.457 6.429 1.00 0.00 N ATOM 432 CA ASP A 752 -12.863 -10.734 5.424 1.00 0.00 C ATOM 433 C ASP A 752 -13.714 -9.666 4.772 1.00 0.00 C ATOM 434 O ASP A 752 -13.245 -8.575 4.534 1.00 0.00 O ATOM 435 CB ASP A 752 -12.368 -11.723 4.363 1.00 0.00 C ATOM 436 CG ASP A 752 -11.597 -12.886 4.940 1.00 0.00 C ATOM 437 OD1 ASP A 752 -10.498 -12.701 5.472 1.00 0.00 O ATOM 438 OD2 ASP A 752 -12.100 -14.020 4.908 1.00 0.00 O ATOM 0 H ASP A 752 -13.648 -12.466 6.281 1.00 0.00 H new ATOM 0 HA ASP A 752 -12.010 -10.255 5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -13.223 -12.105 3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -11.734 -11.194 3.651 1.00 0.00 H new ATOM 443 N ALA A 753 -14.995 -9.963 4.601 1.00 0.00 N ATOM 444 CA ALA A 753 -15.956 -9.056 3.985 1.00 0.00 C ATOM 445 C ALA A 753 -16.135 -7.795 4.791 1.00 0.00 C ATOM 446 O ALA A 753 -16.213 -6.720 4.235 1.00 0.00 O ATOM 447 CB ALA A 753 -17.276 -9.735 3.780 1.00 0.00 C ATOM 0 H ALA A 753 -15.402 -10.852 4.890 1.00 0.00 H new ATOM 0 HA ALA A 753 -15.552 -8.773 3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -17.976 -9.038 3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -17.143 -10.599 3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -17.670 -10.062 4.742 1.00 0.00 H new ATOM 453 N GLU A 754 -16.222 -7.946 6.089 1.00 0.00 N ATOM 454 CA GLU A 754 -16.372 -6.842 7.005 1.00 0.00 C ATOM 455 C GLU A 754 -15.175 -5.934 6.972 1.00 0.00 C ATOM 456 O GLU A 754 -15.324 -4.726 6.953 1.00 0.00 O ATOM 457 CB GLU A 754 -16.503 -7.372 8.413 1.00 0.00 C ATOM 458 CG GLU A 754 -17.832 -7.900 8.824 1.00 0.00 C ATOM 459 CD GLU A 754 -17.709 -8.562 10.158 1.00 0.00 C ATOM 460 OE1 GLU A 754 -17.821 -7.883 11.190 1.00 0.00 O ATOM 461 OE2 GLU A 754 -17.457 -9.778 10.195 1.00 0.00 O ATOM 0 H GLU A 754 -16.190 -8.857 6.548 1.00 0.00 H new ATOM 0 HA GLU A 754 -17.259 -6.284 6.705 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -15.769 -8.168 8.543 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -16.231 -6.572 9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -18.559 -7.089 8.873 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -18.198 -8.612 8.084 1.00 0.00 H new ATOM 468 N ILE A 755 -14.015 -6.516 6.944 1.00 0.00 N ATOM 469 CA ILE A 755 -12.765 -5.776 6.986 1.00 0.00 C ATOM 470 C ILE A 755 -12.480 -5.150 5.618 1.00 0.00 C ATOM 471 O ILE A 755 -12.034 -4.011 5.518 1.00 0.00 O ATOM 472 CB ILE A 755 -11.627 -6.730 7.337 1.00 0.00 C ATOM 473 CG1 ILE A 755 -11.987 -7.504 8.596 1.00 0.00 C ATOM 474 CG2 ILE A 755 -10.337 -5.947 7.554 1.00 0.00 C ATOM 475 CD1 ILE A 755 -11.381 -8.872 8.621 1.00 0.00 C ATOM 0 H ILE A 755 -13.895 -7.528 6.891 1.00 0.00 H new ATOM 0 HA ILE A 755 -12.843 -4.989 7.737 1.00 0.00 H new ATOM 0 HB ILE A 755 -11.476 -7.430 6.515 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -11.652 -6.946 9.470 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -13.071 -7.589 8.669 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -9.531 -6.636 7.804 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -10.082 -5.406 6.643 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -10.475 -5.238 8.371 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -11.670 -9.381 9.541 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -11.736 -9.443 7.763 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -10.295 -8.790 8.577 1.00 0.00 H new ATOM 487 N GLU A 756 -12.798 -5.887 4.580 1.00 0.00 N ATOM 488 CA GLU A 756 -12.573 -5.463 3.207 1.00 0.00 C ATOM 489 C GLU A 756 -13.397 -4.195 2.895 1.00 0.00 C ATOM 490 O GLU A 756 -12.947 -3.309 2.208 1.00 0.00 O ATOM 491 CB GLU A 756 -12.914 -6.593 2.244 1.00 0.00 C ATOM 492 CG GLU A 756 -12.508 -6.385 0.792 1.00 0.00 C ATOM 493 CD GLU A 756 -13.095 -7.454 -0.087 1.00 0.00 C ATOM 494 OE1 GLU A 756 -14.315 -7.404 -0.363 1.00 0.00 O ATOM 495 OE2 GLU A 756 -12.370 -8.394 -0.487 1.00 0.00 O ATOM 0 H GLU A 756 -13.226 -6.810 4.660 1.00 0.00 H new ATOM 0 HA GLU A 756 -11.519 -5.218 3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -12.439 -7.505 2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -13.991 -6.759 2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -12.844 -5.405 0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -11.421 -6.396 0.709 1.00 0.00 H new ATOM 502 N ALA A 757 -14.633 -4.194 3.309 1.00 0.00 N ATOM 503 CA ALA A 757 -15.516 -3.042 3.148 1.00 0.00 C ATOM 504 C ALA A 757 -15.107 -1.877 4.064 1.00 0.00 C ATOM 505 O ALA A 757 -14.929 -0.729 3.596 1.00 0.00 O ATOM 506 CB ALA A 757 -16.943 -3.439 3.452 1.00 0.00 C ATOM 0 H ALA A 757 -15.071 -4.990 3.772 1.00 0.00 H new ATOM 0 HA ALA A 757 -15.433 -2.707 2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -17.595 -2.574 3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -17.255 -4.228 2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -17.009 -3.801 4.478 1.00 0.00 H new ATOM 512 N ILE A 758 -14.904 -2.185 5.356 1.00 0.00 N ATOM 513 CA ILE A 758 -14.650 -1.163 6.375 1.00 0.00 C ATOM 514 C ILE A 758 -13.459 -0.326 6.003 1.00 0.00 C ATOM 515 O ILE A 758 -13.523 0.892 6.063 1.00 0.00 O ATOM 516 CB ILE A 758 -14.492 -1.764 7.839 1.00 0.00 C ATOM 517 CG1 ILE A 758 -14.489 -0.658 8.929 1.00 0.00 C ATOM 518 CG2 ILE A 758 -13.245 -2.619 7.977 1.00 0.00 C ATOM 519 CD1 ILE A 758 -13.134 -0.021 9.235 1.00 0.00 C ATOM 0 H ILE A 758 -14.912 -3.139 5.717 1.00 0.00 H new ATOM 0 HA ILE A 758 -15.534 -0.526 6.403 1.00 0.00 H new ATOM 0 HB ILE A 758 -15.364 -2.399 7.993 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -15.177 0.129 8.621 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -14.884 -1.084 9.851 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -13.181 -3.007 8.994 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -13.294 -3.450 7.274 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -12.364 -2.014 7.763 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -13.254 0.736 10.010 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -12.441 -0.788 9.581 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -12.738 0.444 8.332 1.00 0.00 H new ATOM 531 N PHE A 759 -12.382 -0.980 5.557 1.00 0.00 N ATOM 532 CA PHE A 759 -11.172 -0.272 5.248 1.00 0.00 C ATOM 533 C PHE A 759 -11.382 0.668 4.051 1.00 0.00 C ATOM 534 O PHE A 759 -10.835 1.722 3.993 1.00 0.00 O ATOM 535 CB PHE A 759 -9.985 -1.259 4.992 1.00 0.00 C ATOM 536 CG PHE A 759 -9.841 -1.857 3.570 1.00 0.00 C ATOM 537 CD1 PHE A 759 -9.477 -1.066 2.474 1.00 0.00 C ATOM 538 CD2 PHE A 759 -10.048 -3.195 3.348 1.00 0.00 C ATOM 539 CE1 PHE A 759 -9.346 -1.608 1.219 1.00 0.00 C ATOM 540 CE2 PHE A 759 -9.905 -3.740 2.080 1.00 0.00 C ATOM 541 CZ PHE A 759 -9.561 -2.947 1.024 1.00 0.00 C ATOM 0 H PHE A 759 -12.339 -1.988 5.409 1.00 0.00 H new ATOM 0 HA PHE A 759 -10.909 0.337 6.113 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -9.058 -0.739 5.233 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -10.078 -2.086 5.696 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -9.296 -0.011 2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -10.327 -3.834 4.173 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -9.073 -0.978 0.385 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -10.067 -4.797 1.928 1.00 0.00 H new ATOM 0 HZ PHE A 759 -9.459 -3.374 0.037 1.00 0.00 H new ATOM 551 N THR A 760 -12.226 0.300 3.157 1.00 0.00 N ATOM 552 CA THR A 760 -12.426 1.073 1.959 1.00 0.00 C ATOM 553 C THR A 760 -12.895 2.490 2.323 1.00 0.00 C ATOM 554 O THR A 760 -12.461 3.477 1.734 1.00 0.00 O ATOM 555 CB THR A 760 -13.425 0.370 1.027 1.00 0.00 C ATOM 556 OG1 THR A 760 -12.933 -0.957 0.724 1.00 0.00 O ATOM 557 CG2 THR A 760 -13.608 1.144 -0.264 1.00 0.00 C ATOM 0 H THR A 760 -12.801 -0.540 3.223 1.00 0.00 H new ATOM 0 HA THR A 760 -11.480 1.157 1.423 1.00 0.00 H new ATOM 0 HB THR A 760 -14.390 0.313 1.531 1.00 0.00 H new ATOM 0 HG1 THR A 760 -13.104 -1.551 1.485 1.00 0.00 H new ATOM 0 HG21 THR A 760 -14.320 0.622 -0.903 1.00 0.00 H new ATOM 0 HG22 THR A 760 -13.985 2.142 -0.040 1.00 0.00 H new ATOM 0 HG23 THR A 760 -12.650 1.225 -0.779 1.00 0.00 H new ATOM 565 N LYS A 761 -13.723 2.570 3.336 1.00 0.00 N ATOM 566 CA LYS A 761 -14.206 3.861 3.771 1.00 0.00 C ATOM 567 C LYS A 761 -13.350 4.433 4.923 1.00 0.00 C ATOM 568 O LYS A 761 -12.981 5.613 4.909 1.00 0.00 O ATOM 569 CB LYS A 761 -15.685 3.789 4.149 1.00 0.00 C ATOM 570 CG LYS A 761 -16.413 5.128 4.015 1.00 0.00 C ATOM 571 CD LYS A 761 -17.912 4.970 4.140 1.00 0.00 C ATOM 572 CE LYS A 761 -18.610 6.288 3.865 1.00 0.00 C ATOM 573 NZ LYS A 761 -20.075 6.162 3.921 1.00 0.00 N ATOM 0 H LYS A 761 -14.073 1.773 3.868 1.00 0.00 H new ATOM 0 HA LYS A 761 -14.110 4.551 2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 761 -16.178 3.051 3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 761 -15.773 3.438 5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -16.055 5.814 4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -16.174 5.576 3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -18.263 4.213 3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -18.164 4.620 5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 761 -18.282 7.030 4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 761 -18.316 6.655 2.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -20.511 7.086 3.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -20.392 5.474 3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 -20.360 5.837 4.867 1.00 0.00 H new ATOM 587 N TYR A 762 -12.999 3.592 5.895 1.00 0.00 N ATOM 588 CA TYR A 762 -12.300 4.045 7.097 1.00 0.00 C ATOM 589 C TYR A 762 -10.774 3.931 7.064 1.00 0.00 C ATOM 590 O TYR A 762 -10.096 4.630 7.831 1.00 0.00 O ATOM 591 CB TYR A 762 -12.855 3.369 8.343 1.00 0.00 C ATOM 592 CG TYR A 762 -14.041 4.071 8.940 1.00 0.00 C ATOM 593 CD1 TYR A 762 -13.845 5.159 9.767 1.00 0.00 C ATOM 594 CD2 TYR A 762 -15.343 3.662 8.689 1.00 0.00 C ATOM 595 CE1 TYR A 762 -14.901 5.826 10.330 1.00 0.00 C ATOM 596 CE2 TYR A 762 -16.414 4.326 9.253 1.00 0.00 C ATOM 597 CZ TYR A 762 -16.185 5.412 10.074 1.00 0.00 C ATOM 598 OH TYR A 762 -17.250 6.089 10.639 1.00 0.00 O ATOM 0 H TYR A 762 -13.188 2.590 5.873 1.00 0.00 H new ATOM 0 HA TYR A 762 -12.500 5.116 7.129 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -13.138 2.346 8.094 1.00 0.00 H new ATOM 0 HB3 TYR A 762 -12.066 3.308 9.093 1.00 0.00 H new ATOM 0 HD1 TYR A 762 -12.838 5.491 9.974 1.00 0.00 H new ATOM 0 HD2 TYR A 762 -15.521 2.814 8.045 1.00 0.00 H new ATOM 0 HE1 TYR A 762 -14.724 6.675 10.973 1.00 0.00 H new ATOM 0 HE2 TYR A 762 -17.424 3.998 9.053 1.00 0.00 H new ATOM 0 HH TYR A 762 -18.090 5.670 10.357 1.00 0.00 H new ATOM 608 N ASP A 763 -10.222 3.077 6.210 1.00 0.00 N ATOM 609 CA ASP A 763 -8.752 2.904 6.130 1.00 0.00 C ATOM 610 C ASP A 763 -8.094 4.169 5.670 1.00 0.00 C ATOM 611 O ASP A 763 -8.737 5.009 5.015 1.00 0.00 O ATOM 612 CB ASP A 763 -8.335 1.785 5.187 1.00 0.00 C ATOM 613 CG ASP A 763 -6.858 1.469 5.303 1.00 0.00 C ATOM 614 OD1 ASP A 763 -6.415 0.980 6.366 1.00 0.00 O ATOM 615 OD2 ASP A 763 -6.101 1.799 4.352 1.00 0.00 O ATOM 0 H ASP A 763 -10.752 2.493 5.564 1.00 0.00 H new ATOM 0 HA ASP A 763 -8.430 2.643 7.138 1.00 0.00 H new ATOM 0 HB2 ASP A 763 -8.916 0.889 5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 763 -8.566 2.070 4.161 1.00 0.00 H new ATOM 620 N GLN A 764 -6.840 4.316 6.028 1.00 0.00 N ATOM 621 CA GLN A 764 -6.047 5.457 5.686 1.00 0.00 C ATOM 622 C GLN A 764 -6.050 5.684 4.166 1.00 0.00 C ATOM 623 O GLN A 764 -6.327 6.801 3.716 1.00 0.00 O ATOM 624 CB GLN A 764 -4.625 5.262 6.287 1.00 0.00 C ATOM 625 CG GLN A 764 -3.651 6.454 6.271 1.00 0.00 C ATOM 626 CD GLN A 764 -3.132 6.811 4.901 1.00 0.00 C ATOM 627 OE1 GLN A 764 -3.691 7.654 4.199 1.00 0.00 O ATOM 628 NE2 GLN A 764 -2.078 6.171 4.510 1.00 0.00 N ATOM 0 H GLN A 764 -6.336 3.622 6.580 1.00 0.00 H new ATOM 0 HA GLN A 764 -6.467 6.367 6.113 1.00 0.00 H new ATOM 0 HB2 GLN A 764 -4.744 4.945 7.323 1.00 0.00 H new ATOM 0 HB3 GLN A 764 -4.150 4.438 5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 764 -4.152 7.324 6.695 1.00 0.00 H new ATOM 0 HG3 GLN A 764 -2.805 6.226 6.919 1.00 0.00 H new ATOM 0 HE21 GLN A 764 -1.645 5.480 5.122 1.00 0.00 H new ATOM 0 HE22 GLN A 764 -1.680 6.358 3.589 1.00 0.00 H new ATOM 637 N ASP A 765 -5.841 4.646 3.373 1.00 0.00 N ATOM 638 CA ASP A 765 -5.862 4.863 1.930 1.00 0.00 C ATOM 639 C ASP A 765 -7.067 4.301 1.235 1.00 0.00 C ATOM 640 O ASP A 765 -7.319 4.652 0.086 1.00 0.00 O ATOM 641 CB ASP A 765 -4.601 4.333 1.253 1.00 0.00 C ATOM 642 CG ASP A 765 -3.489 5.339 1.220 1.00 0.00 C ATOM 643 OD1 ASP A 765 -3.615 6.344 0.491 1.00 0.00 O ATOM 644 OD2 ASP A 765 -2.438 5.124 1.833 1.00 0.00 O ATOM 0 H ASP A 765 -5.663 3.689 3.679 1.00 0.00 H new ATOM 0 HA ASP A 765 -5.909 5.947 1.828 1.00 0.00 H new ATOM 0 HB2 ASP A 765 -4.261 3.440 1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 765 -4.842 4.031 0.234 1.00 0.00 H new ATOM 649 N GLY A 766 -7.871 3.497 1.938 1.00 0.00 N ATOM 650 CA GLY A 766 -9.070 2.869 1.319 1.00 0.00 C ATOM 651 C GLY A 766 -8.726 1.984 0.117 1.00 0.00 C ATOM 652 O GLY A 766 -9.610 1.514 -0.605 1.00 0.00 O ATOM 0 H GLY A 766 -7.728 3.261 2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -9.588 2.270 2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -9.761 3.651 1.002 1.00 0.00 H new ATOM 656 N ASP A 767 -7.446 1.754 -0.071 1.00 0.00 N ATOM 657 CA ASP A 767 -6.932 1.000 -1.180 1.00 0.00 C ATOM 658 C ASP A 767 -6.683 -0.405 -0.754 1.00 0.00 C ATOM 659 O ASP A 767 -7.360 -1.303 -1.224 1.00 0.00 O ATOM 660 CB ASP A 767 -5.655 1.656 -1.754 1.00 0.00 C ATOM 661 CG ASP A 767 -5.923 2.890 -2.582 1.00 0.00 C ATOM 662 OD1 ASP A 767 -6.692 2.818 -3.570 1.00 0.00 O ATOM 663 OD2 ASP A 767 -5.389 3.967 -2.256 1.00 0.00 O ATOM 0 H ASP A 767 -6.721 2.096 0.560 1.00 0.00 H new ATOM 0 HA ASP A 767 -7.672 0.993 -1.980 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -4.992 1.920 -0.930 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -5.127 0.926 -2.367 1.00 0.00 H new ATOM 668 N GLN A 768 -5.714 -0.572 0.163 1.00 0.00 N ATOM 669 CA GLN A 768 -5.356 -1.849 0.812 1.00 0.00 C ATOM 670 C GLN A 768 -5.481 -3.036 -0.144 1.00 0.00 C ATOM 671 O GLN A 768 -6.449 -3.781 -0.085 1.00 0.00 O ATOM 672 CB GLN A 768 -6.239 -2.040 2.034 1.00 0.00 C ATOM 673 CG GLN A 768 -5.597 -2.678 3.193 1.00 0.00 C ATOM 674 CD GLN A 768 -6.514 -2.629 4.391 1.00 0.00 C ATOM 675 OE1 GLN A 768 -7.221 -3.688 4.647 1.00 0.00 O flip ATOM 676 NE2 GLN A 768 -6.511 -1.670 5.128 1.00 0.00 N flip ATOM 0 H GLN A 768 -5.137 0.205 0.485 1.00 0.00 H new ATOM 0 HA GLN A 768 -4.309 -1.806 1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -6.616 -1.065 2.342 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -7.102 -2.639 1.745 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -5.351 -3.713 2.957 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -4.660 -2.172 3.423 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -5.945 -0.853 4.899 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -7.074 -1.678 5.978 1.00 0.00 H new ATOM 685 N GLU A 769 -4.463 -3.212 -0.974 1.00 0.00 N ATOM 686 CA GLU A 769 -4.386 -4.250 -2.059 1.00 0.00 C ATOM 687 C GLU A 769 -3.400 -3.784 -3.142 1.00 0.00 C ATOM 688 O GLU A 769 -3.301 -4.396 -4.187 1.00 0.00 O ATOM 689 CB GLU A 769 -5.745 -4.592 -2.761 1.00 0.00 C ATOM 690 CG GLU A 769 -6.341 -3.503 -3.671 1.00 0.00 C ATOM 691 CD GLU A 769 -6.640 -4.012 -5.055 1.00 0.00 C ATOM 692 OE1 GLU A 769 -7.527 -4.887 -5.198 1.00 0.00 O ATOM 693 OE2 GLU A 769 -6.005 -3.561 -6.030 1.00 0.00 O ATOM 0 H GLU A 769 -3.627 -2.630 -0.931 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.061 -5.160 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -5.604 -5.494 -3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -6.477 -4.830 -1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -7.257 -3.120 -3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -5.644 -2.667 -3.737 1.00 0.00 H new ATOM 700 N LEU A 770 -2.604 -2.771 -2.849 1.00 0.00 N ATOM 701 CA LEU A 770 -1.768 -2.181 -3.900 1.00 0.00 C ATOM 702 C LEU A 770 -0.322 -2.557 -3.696 1.00 0.00 C ATOM 703 O LEU A 770 0.232 -2.336 -2.606 1.00 0.00 O ATOM 704 CB LEU A 770 -1.911 -0.632 -3.988 1.00 0.00 C ATOM 705 CG LEU A 770 -2.995 -0.019 -4.902 1.00 0.00 C ATOM 706 CD1 LEU A 770 -4.364 -0.563 -4.616 1.00 0.00 C ATOM 707 CD2 LEU A 770 -2.982 1.500 -4.796 1.00 0.00 C ATOM 0 H LEU A 770 -2.513 -2.345 -1.927 1.00 0.00 H new ATOM 0 HA LEU A 770 -2.122 -2.589 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 770 -2.088 -0.262 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -0.949 -0.233 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 770 -2.752 -0.305 -5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 770 -5.087 -0.099 -5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 770 -4.366 -1.642 -4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 770 -4.634 -0.344 -3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 770 -3.751 1.917 -5.446 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -3.179 1.794 -3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -2.006 1.878 -5.101 1.00 0.00 H new ATOM 719 N THR A 771 0.283 -3.147 -4.690 1.00 0.00 N ATOM 720 CA THR A 771 1.648 -3.565 -4.565 1.00 0.00 C ATOM 721 C THR A 771 2.590 -2.391 -4.870 1.00 0.00 C ATOM 722 O THR A 771 2.141 -1.345 -5.365 1.00 0.00 O ATOM 723 CB THR A 771 1.983 -4.730 -5.500 1.00 0.00 C ATOM 724 OG1 THR A 771 2.220 -4.260 -6.801 1.00 0.00 O ATOM 725 CG2 THR A 771 0.843 -5.712 -5.562 1.00 0.00 C ATOM 0 H THR A 771 -0.148 -3.348 -5.592 1.00 0.00 H new ATOM 0 HA THR A 771 1.786 -3.903 -3.538 1.00 0.00 H new ATOM 0 HB THR A 771 2.873 -5.220 -5.106 1.00 0.00 H new ATOM 0 HG1 THR A 771 2.435 -5.015 -7.388 1.00 0.00 H new ATOM 0 HG21 THR A 771 1.104 -6.531 -6.232 1.00 0.00 H new ATOM 0 HG22 THR A 771 0.649 -6.107 -4.565 1.00 0.00 H new ATOM 0 HG23 THR A 771 -0.050 -5.210 -5.934 1.00 0.00 H new ATOM 733 N GLU A 772 3.887 -2.559 -4.559 1.00 0.00 N ATOM 734 CA GLU A 772 4.905 -1.574 -4.832 1.00 0.00 C ATOM 735 C GLU A 772 4.910 -1.287 -6.313 1.00 0.00 C ATOM 736 O GLU A 772 5.017 -0.146 -6.728 1.00 0.00 O ATOM 737 CB GLU A 772 6.270 -2.095 -4.340 1.00 0.00 C ATOM 738 CG GLU A 772 7.356 -1.044 -4.169 1.00 0.00 C ATOM 739 CD GLU A 772 7.849 -0.441 -5.454 1.00 0.00 C ATOM 740 OE1 GLU A 772 8.396 -1.181 -6.303 1.00 0.00 O ATOM 741 OE2 GLU A 772 7.743 0.774 -5.619 1.00 0.00 O ATOM 0 H GLU A 772 4.245 -3.400 -4.105 1.00 0.00 H new ATOM 0 HA GLU A 772 4.700 -0.644 -4.302 1.00 0.00 H new ATOM 0 HB2 GLU A 772 6.123 -2.597 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 772 6.626 -2.847 -5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 772 6.975 -0.247 -3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 772 8.200 -1.494 -3.646 1.00 0.00 H new ATOM 748 N HIS A 773 4.690 -2.328 -7.115 1.00 0.00 N ATOM 749 CA HIS A 773 4.722 -2.142 -8.551 1.00 0.00 C ATOM 750 C HIS A 773 3.575 -1.268 -9.017 1.00 0.00 C ATOM 751 O HIS A 773 3.760 -0.430 -9.903 1.00 0.00 O ATOM 752 CB HIS A 773 4.780 -3.449 -9.354 1.00 0.00 C ATOM 753 CG HIS A 773 6.020 -4.261 -9.127 1.00 0.00 C ATOM 754 ND1 HIS A 773 7.123 -4.186 -9.945 1.00 0.00 N ATOM 755 CD2 HIS A 773 6.322 -5.182 -8.182 1.00 0.00 C ATOM 756 CE1 HIS A 773 8.044 -5.027 -9.514 1.00 0.00 C ATOM 757 NE2 HIS A 773 7.586 -5.640 -8.449 1.00 0.00 N ATOM 0 H HIS A 773 4.494 -3.278 -6.801 1.00 0.00 H new ATOM 0 HA HIS A 773 5.663 -1.630 -8.755 1.00 0.00 H new ATOM 0 HB2 HIS A 773 3.911 -4.056 -9.100 1.00 0.00 H new ATOM 0 HB3 HIS A 773 4.704 -3.213 -10.415 1.00 0.00 H new ATOM 0 HD2 HIS A 773 5.685 -5.497 -7.369 1.00 0.00 H new ATOM 0 HE1 HIS A 773 9.013 -5.184 -9.963 1.00 0.00 H new ATOM 0 HE2 HIS A 773 8.089 -6.343 -7.907 1.00 0.00 H new ATOM 765 N GLU A 774 2.407 -1.410 -8.386 1.00 0.00 N ATOM 766 CA GLU A 774 1.259 -0.574 -8.769 1.00 0.00 C ATOM 767 C GLU A 774 1.422 0.839 -8.208 1.00 0.00 C ATOM 768 O GLU A 774 1.201 1.825 -8.907 1.00 0.00 O ATOM 769 CB GLU A 774 -0.068 -1.189 -8.309 1.00 0.00 C ATOM 770 CG GLU A 774 -0.230 -2.650 -8.736 1.00 0.00 C ATOM 771 CD GLU A 774 -1.480 -3.287 -8.163 1.00 0.00 C ATOM 772 OE1 GLU A 774 -1.457 -3.748 -7.012 1.00 0.00 O ATOM 773 OE2 GLU A 774 -2.508 -3.361 -8.872 1.00 0.00 O ATOM 0 H GLU A 774 2.230 -2.073 -7.631 1.00 0.00 H new ATOM 0 HA GLU A 774 1.234 -0.521 -9.857 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -0.135 -1.124 -7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -0.893 -0.604 -8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -0.264 -2.705 -9.824 1.00 0.00 H new ATOM 0 HG3 GLU A 774 0.643 -3.218 -8.415 1.00 0.00 H new