USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 759 HIS : no HE2:sc= 0.376 K(o=1.1,f=-7.1!) USER MOD Set 1.2: A 769 HIS : no HD1:sc= 0.674 K(o=1.1,f=-6.8!) USER MOD Set 2.1: A 751 ASN : amide:sc= 1.19! C(o=2.1!,f=-3!) USER MOD Set 2.2: A 752 SER OG : rot -4:sc= -0.14 USER MOD Set 2.3: A 753 HIS : no HE2:sc= 1.07 K(o=2.1,f=-5.9!) USER MOD Set 3.1: A 737 MET CE :methyl 156:sc= -1.63 (180deg=-1.86!) USER MOD Set 3.2: A 765 HIS : no HD1:sc= -0.0647 K(o=-1.7,f=-2.6) USER MOD Single : A 728 HIS : no HD1:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 732 MET CE :methyl -162:sc= -0.0098 (180deg=-0.209) USER MOD Single : A 739 SER OG : rot 63:sc= 1.28 USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 LYS NZ :NH3+ -162:sc= -0.0415 (180deg=-0.319) USER MOD Single : A 742 MET CE :methyl 169:sc= -0.0444 (180deg=-0.27) USER MOD Single : A 743 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.036) USER MOD Single : A 749 SER OG : rot 180:sc= 0 USER MOD Single : A 760 GLN : amide:sc= 0.992 K(o=0.99,f=-5.3!) USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 781 THR OG1 : rot -36:sc= 0.236 USER MOD Single : A 783 SER OG : rot -130:sc= 0.408 USER MOD Single : A 784 LYS NZ :NH3+ -165:sc= 0.799 (180deg=0.646) USER MOD ----------------------------------------------------------------- ATOM 143 N HIS A 728 11.623 -11.767 -22.270 1.00 0.00 N ATOM 144 CA HIS A 728 12.687 -12.766 -22.328 1.00 0.00 C ATOM 145 C HIS A 728 13.675 -12.586 -21.182 1.00 0.00 C ATOM 146 O HIS A 728 13.804 -13.453 -20.320 1.00 0.00 O ATOM 147 CB HIS A 728 13.426 -12.678 -23.670 1.00 0.00 C ATOM 148 CG HIS A 728 14.410 -13.787 -23.918 1.00 0.00 C ATOM 149 ND1 HIS A 728 14.218 -14.792 -24.839 1.00 0.00 N ATOM 150 CD2 HIS A 728 15.628 -14.020 -23.360 1.00 0.00 C ATOM 151 CE1 HIS A 728 15.295 -15.588 -24.813 1.00 0.00 C ATOM 152 NE2 HIS A 728 16.180 -15.163 -23.932 1.00 0.00 N ATOM 0 HA HIS A 728 12.227 -13.750 -22.233 1.00 0.00 H new ATOM 0 HB2 HIS A 728 12.691 -12.676 -24.475 1.00 0.00 H new ATOM 0 HB3 HIS A 728 13.953 -11.725 -23.717 1.00 0.00 H new ATOM 0 HD2 HIS A 728 16.093 -13.415 -22.595 1.00 0.00 H new ATOM 0 HE1 HIS A 728 15.422 -16.463 -25.432 1.00 0.00 H new ATOM 0 HE2 HIS A 728 17.083 -15.585 -23.715 1.00 0.00 H new ATOM 160 N PHE A 729 14.352 -11.451 -21.164 1.00 0.00 N ATOM 161 CA PHE A 729 15.407 -11.218 -20.194 1.00 0.00 C ATOM 162 C PHE A 729 14.854 -11.064 -18.780 1.00 0.00 C ATOM 163 O PHE A 729 15.500 -11.474 -17.819 1.00 0.00 O ATOM 164 CB PHE A 729 16.246 -10.006 -20.590 1.00 0.00 C ATOM 165 CG PHE A 729 17.051 -10.240 -21.840 1.00 0.00 C ATOM 166 CD1 PHE A 729 17.949 -11.293 -21.905 1.00 0.00 C ATOM 167 CD2 PHE A 729 16.918 -9.411 -22.943 1.00 0.00 C ATOM 168 CE1 PHE A 729 18.695 -11.518 -23.046 1.00 0.00 C ATOM 169 CE2 PHE A 729 17.663 -9.636 -24.087 1.00 0.00 C ATOM 170 CZ PHE A 729 18.552 -10.688 -24.134 1.00 0.00 C ATOM 0 H PHE A 729 14.190 -10.678 -21.809 1.00 0.00 H new ATOM 0 HA PHE A 729 16.052 -12.097 -20.193 1.00 0.00 H new ATOM 0 HB2 PHE A 729 15.590 -9.149 -20.740 1.00 0.00 H new ATOM 0 HB3 PHE A 729 16.919 -9.752 -19.771 1.00 0.00 H new ATOM 0 HD1 PHE A 729 18.067 -11.946 -21.053 1.00 0.00 H new ATOM 0 HD2 PHE A 729 16.227 -8.582 -22.909 1.00 0.00 H new ATOM 0 HE1 PHE A 729 19.389 -12.344 -23.084 1.00 0.00 H new ATOM 0 HE2 PHE A 729 17.548 -8.987 -24.943 1.00 0.00 H new ATOM 0 HZ PHE A 729 19.137 -10.861 -25.025 1.00 0.00 H new ATOM 180 N ARG A 730 13.657 -10.500 -18.650 1.00 0.00 N ATOM 181 CA ARG A 730 13.037 -10.358 -17.335 1.00 0.00 C ATOM 182 C ARG A 730 12.751 -11.727 -16.738 1.00 0.00 C ATOM 183 O ARG A 730 13.052 -11.975 -15.571 1.00 0.00 O ATOM 184 CB ARG A 730 11.736 -9.560 -17.417 1.00 0.00 C ATOM 185 CG ARG A 730 11.192 -9.157 -16.055 1.00 0.00 C ATOM 186 CD ARG A 730 9.815 -8.515 -16.153 1.00 0.00 C ATOM 187 NE ARG A 730 9.811 -7.305 -16.983 1.00 0.00 N ATOM 188 CZ ARG A 730 10.117 -6.086 -16.530 1.00 0.00 C ATOM 189 NH1 ARG A 730 10.552 -5.921 -15.281 1.00 0.00 N ATOM 190 NH2 ARG A 730 9.994 -5.035 -17.330 1.00 0.00 N ATOM 0 H ARG A 730 13.103 -10.138 -19.426 1.00 0.00 H new ATOM 0 HA ARG A 730 13.736 -9.817 -16.697 1.00 0.00 H new ATOM 0 HB2 ARG A 730 11.905 -8.663 -18.013 1.00 0.00 H new ATOM 0 HB3 ARG A 730 10.986 -10.154 -17.939 1.00 0.00 H new ATOM 0 HG2 ARG A 730 11.136 -10.036 -15.413 1.00 0.00 H new ATOM 0 HG3 ARG A 730 11.883 -8.460 -15.581 1.00 0.00 H new ATOM 0 HD2 ARG A 730 9.111 -9.237 -16.567 1.00 0.00 H new ATOM 0 HD3 ARG A 730 9.463 -8.265 -15.152 1.00 0.00 H new ATOM 0 HE ARG A 730 9.559 -7.400 -17.967 1.00 0.00 H new ATOM 0 HH11 ARG A 730 10.653 -6.728 -14.665 1.00 0.00 H new ATOM 0 HH12 ARG A 730 10.784 -4.988 -14.941 1.00 0.00 H new ATOM 0 HH21 ARG A 730 9.667 -5.159 -18.288 1.00 0.00 H new ATOM 0 HH22 ARG A 730 10.227 -4.103 -16.987 1.00 0.00 H new ATOM 204 N ALA A 731 12.185 -12.616 -17.553 1.00 0.00 N ATOM 205 CA ALA A 731 11.865 -13.967 -17.112 1.00 0.00 C ATOM 206 C ALA A 731 13.128 -14.717 -16.714 1.00 0.00 C ATOM 207 O ALA A 731 13.163 -15.406 -15.693 1.00 0.00 O ATOM 208 CB ALA A 731 11.118 -14.718 -18.202 1.00 0.00 C ATOM 0 H ALA A 731 11.939 -12.421 -18.524 1.00 0.00 H new ATOM 0 HA ALA A 731 11.220 -13.898 -16.236 1.00 0.00 H new ATOM 0 HB1 ALA A 731 10.886 -15.726 -17.856 1.00 0.00 H new ATOM 0 HB2 ALA A 731 10.192 -14.193 -18.436 1.00 0.00 H new ATOM 0 HB3 ALA A 731 11.739 -14.775 -19.096 1.00 0.00 H new ATOM 214 N MET A 732 14.171 -14.561 -17.522 1.00 0.00 N ATOM 215 CA MET A 732 15.457 -15.180 -17.246 1.00 0.00 C ATOM 216 C MET A 732 16.004 -14.710 -15.901 1.00 0.00 C ATOM 217 O MET A 732 16.471 -15.510 -15.096 1.00 0.00 O ATOM 218 CB MET A 732 16.449 -14.842 -18.361 1.00 0.00 C ATOM 219 CG MET A 732 16.008 -15.337 -19.729 1.00 0.00 C ATOM 220 SD MET A 732 16.678 -16.956 -20.148 1.00 0.00 S ATOM 221 CE MET A 732 18.386 -16.529 -20.475 1.00 0.00 C ATOM 0 H MET A 732 14.148 -14.007 -18.378 1.00 0.00 H new ATOM 0 HA MET A 732 15.319 -16.260 -17.204 1.00 0.00 H new ATOM 0 HB2 MET A 732 16.586 -13.761 -18.400 1.00 0.00 H new ATOM 0 HB3 MET A 732 17.418 -15.278 -18.120 1.00 0.00 H new ATOM 0 HG2 MET A 732 14.919 -15.383 -19.758 1.00 0.00 H new ATOM 0 HG3 MET A 732 16.317 -14.616 -20.486 1.00 0.00 H new ATOM 0 HE1 MET A 732 18.858 -17.329 -21.045 1.00 0.00 H new ATOM 0 HE2 MET A 732 18.426 -15.603 -21.048 1.00 0.00 H new ATOM 0 HE3 MET A 732 18.915 -16.395 -19.531 1.00 0.00 H new ATOM 231 N ILE A 733 15.916 -13.406 -15.656 1.00 0.00 N ATOM 232 CA ILE A 733 16.461 -12.808 -14.443 1.00 0.00 C ATOM 233 C ILE A 733 15.608 -13.122 -13.210 1.00 0.00 C ATOM 234 O ILE A 733 16.142 -13.458 -12.150 1.00 0.00 O ATOM 235 CB ILE A 733 16.614 -11.278 -14.604 1.00 0.00 C ATOM 236 CG1 ILE A 733 17.692 -10.968 -15.651 1.00 0.00 C ATOM 237 CG2 ILE A 733 16.951 -10.618 -13.273 1.00 0.00 C ATOM 238 CD1 ILE A 733 17.893 -9.489 -15.900 1.00 0.00 C ATOM 0 H ILE A 733 15.469 -12.740 -16.286 1.00 0.00 H new ATOM 0 HA ILE A 733 17.445 -13.251 -14.288 1.00 0.00 H new ATOM 0 HB ILE A 733 15.663 -10.869 -14.945 1.00 0.00 H new ATOM 0 HG12 ILE A 733 18.637 -11.404 -15.326 1.00 0.00 H new ATOM 0 HG13 ILE A 733 17.423 -11.452 -16.590 1.00 0.00 H new ATOM 0 HG21 ILE A 733 17.053 -9.542 -13.416 1.00 0.00 H new ATOM 0 HG22 ILE A 733 16.153 -10.815 -12.557 1.00 0.00 H new ATOM 0 HG23 ILE A 733 17.888 -11.024 -12.893 1.00 0.00 H new ATOM 0 HD11 ILE A 733 18.670 -9.349 -16.651 1.00 0.00 H new ATOM 0 HD12 ILE A 733 16.961 -9.050 -16.256 1.00 0.00 H new ATOM 0 HD13 ILE A 733 18.193 -9.001 -14.973 1.00 0.00 H new ATOM 250 N VAL A 734 14.289 -13.036 -13.345 1.00 0.00 N ATOM 251 CA VAL A 734 13.406 -13.248 -12.202 1.00 0.00 C ATOM 252 C VAL A 734 13.504 -14.687 -11.686 1.00 0.00 C ATOM 253 O VAL A 734 13.542 -14.914 -10.476 1.00 0.00 O ATOM 254 CB VAL A 734 11.930 -12.880 -12.515 1.00 0.00 C ATOM 255 CG1 VAL A 734 11.320 -13.808 -13.555 1.00 0.00 C ATOM 256 CG2 VAL A 734 11.093 -12.877 -11.244 1.00 0.00 C ATOM 0 H VAL A 734 13.812 -12.824 -14.221 1.00 0.00 H new ATOM 0 HA VAL A 734 13.747 -12.573 -11.417 1.00 0.00 H new ATOM 0 HB VAL A 734 11.931 -11.874 -12.935 1.00 0.00 H new ATOM 0 HG11 VAL A 734 10.287 -13.514 -13.744 1.00 0.00 H new ATOM 0 HG12 VAL A 734 11.891 -13.742 -14.481 1.00 0.00 H new ATOM 0 HG13 VAL A 734 11.344 -14.833 -13.186 1.00 0.00 H new ATOM 0 HG21 VAL A 734 10.063 -12.617 -11.487 1.00 0.00 H new ATOM 0 HG22 VAL A 734 11.119 -13.867 -10.789 1.00 0.00 H new ATOM 0 HG23 VAL A 734 11.497 -12.145 -10.544 1.00 0.00 H new ATOM 266 N GLU A 735 13.587 -15.652 -12.596 1.00 0.00 N ATOM 267 CA GLU A 735 13.722 -17.046 -12.197 1.00 0.00 C ATOM 268 C GLU A 735 15.155 -17.338 -11.765 1.00 0.00 C ATOM 269 O GLU A 735 15.400 -18.239 -10.962 1.00 0.00 O ATOM 270 CB GLU A 735 13.297 -17.987 -13.325 1.00 0.00 C ATOM 271 CG GLU A 735 11.851 -17.793 -13.757 1.00 0.00 C ATOM 272 CD GLU A 735 11.342 -18.938 -14.604 1.00 0.00 C ATOM 273 OE1 GLU A 735 12.022 -19.314 -15.580 1.00 0.00 O ATOM 274 OE2 GLU A 735 10.267 -19.488 -14.280 1.00 0.00 O ATOM 0 H GLU A 735 13.563 -15.496 -13.604 1.00 0.00 H new ATOM 0 HA GLU A 735 13.060 -17.221 -11.349 1.00 0.00 H new ATOM 0 HB2 GLU A 735 13.950 -17.831 -14.184 1.00 0.00 H new ATOM 0 HB3 GLU A 735 13.437 -19.018 -13.001 1.00 0.00 H new ATOM 0 HG2 GLU A 735 11.221 -17.691 -12.873 1.00 0.00 H new ATOM 0 HG3 GLU A 735 11.764 -16.863 -14.319 1.00 0.00 H new ATOM 281 N PHE A 736 16.095 -16.563 -12.300 1.00 0.00 N ATOM 282 CA PHE A 736 17.495 -16.641 -11.896 1.00 0.00 C ATOM 283 C PHE A 736 17.648 -16.323 -10.411 1.00 0.00 C ATOM 284 O PHE A 736 18.415 -16.976 -9.704 1.00 0.00 O ATOM 285 CB PHE A 736 18.328 -15.676 -12.745 1.00 0.00 C ATOM 286 CG PHE A 736 19.682 -15.348 -12.190 1.00 0.00 C ATOM 287 CD1 PHE A 736 20.667 -16.316 -12.095 1.00 0.00 C ATOM 288 CD2 PHE A 736 19.973 -14.055 -11.788 1.00 0.00 C ATOM 289 CE1 PHE A 736 21.917 -15.998 -11.603 1.00 0.00 C ATOM 290 CE2 PHE A 736 21.218 -13.735 -11.293 1.00 0.00 C ATOM 291 CZ PHE A 736 22.192 -14.706 -11.203 1.00 0.00 C ATOM 0 H PHE A 736 15.909 -15.867 -13.022 1.00 0.00 H new ATOM 0 HA PHE A 736 17.854 -17.657 -12.058 1.00 0.00 H new ATOM 0 HB2 PHE A 736 18.454 -16.106 -13.738 1.00 0.00 H new ATOM 0 HB3 PHE A 736 17.768 -14.749 -12.868 1.00 0.00 H new ATOM 0 HD1 PHE A 736 20.456 -17.328 -12.408 1.00 0.00 H new ATOM 0 HD2 PHE A 736 19.215 -13.289 -11.863 1.00 0.00 H new ATOM 0 HE1 PHE A 736 22.679 -16.760 -11.531 1.00 0.00 H new ATOM 0 HE2 PHE A 736 21.431 -12.725 -10.976 1.00 0.00 H new ATOM 0 HZ PHE A 736 23.170 -14.456 -10.820 1.00 0.00 H new ATOM 301 N MET A 737 16.894 -15.333 -9.937 1.00 0.00 N ATOM 302 CA MET A 737 16.915 -14.963 -8.522 1.00 0.00 C ATOM 303 C MET A 737 16.407 -16.113 -7.656 1.00 0.00 C ATOM 304 O MET A 737 16.765 -16.231 -6.486 1.00 0.00 O ATOM 305 CB MET A 737 16.079 -13.702 -8.263 1.00 0.00 C ATOM 306 CG MET A 737 16.612 -12.461 -8.964 1.00 0.00 C ATOM 307 SD MET A 737 15.798 -10.936 -8.432 1.00 0.00 S ATOM 308 CE MET A 737 14.094 -11.276 -8.852 1.00 0.00 C ATOM 0 H MET A 737 16.262 -14.773 -10.510 1.00 0.00 H new ATOM 0 HA MET A 737 17.949 -14.749 -8.254 1.00 0.00 H new ATOM 0 HB2 MET A 737 15.055 -13.882 -8.590 1.00 0.00 H new ATOM 0 HB3 MET A 737 16.042 -13.515 -7.190 1.00 0.00 H new ATOM 0 HG2 MET A 737 17.683 -12.378 -8.777 1.00 0.00 H new ATOM 0 HG3 MET A 737 16.484 -12.577 -10.040 1.00 0.00 H new ATOM 0 HE1 MET A 737 13.438 -10.666 -8.232 1.00 0.00 H new ATOM 0 HE2 MET A 737 13.924 -11.039 -9.902 1.00 0.00 H new ATOM 0 HE3 MET A 737 13.880 -12.331 -8.679 1.00 0.00 H new ATOM 318 N ALA A 738 15.585 -16.972 -8.243 1.00 0.00 N ATOM 319 CA ALA A 738 15.038 -18.115 -7.530 1.00 0.00 C ATOM 320 C ALA A 738 15.850 -19.380 -7.805 1.00 0.00 C ATOM 321 O ALA A 738 15.506 -20.464 -7.335 1.00 0.00 O ATOM 322 CB ALA A 738 13.584 -18.328 -7.920 1.00 0.00 C ATOM 0 H ALA A 738 15.282 -16.897 -9.214 1.00 0.00 H new ATOM 0 HA ALA A 738 15.094 -17.905 -6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 738 13.184 -19.187 -7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 738 13.006 -17.439 -7.667 1.00 0.00 H new ATOM 0 HB3 ALA A 738 13.518 -18.511 -8.992 1.00 0.00 H new ATOM 328 N SER A 739 16.926 -19.238 -8.569 1.00 0.00 N ATOM 329 CA SER A 739 17.762 -20.375 -8.926 1.00 0.00 C ATOM 330 C SER A 739 19.025 -20.414 -8.072 1.00 0.00 C ATOM 331 O SER A 739 19.320 -19.467 -7.335 1.00 0.00 O ATOM 332 CB SER A 739 18.128 -20.315 -10.412 1.00 0.00 C ATOM 333 OG SER A 739 16.972 -20.420 -11.229 1.00 0.00 O ATOM 0 H SER A 739 17.239 -18.346 -8.953 1.00 0.00 H new ATOM 0 HA SER A 739 17.196 -21.287 -8.737 1.00 0.00 H new ATOM 0 HB2 SER A 739 18.643 -19.378 -10.625 1.00 0.00 H new ATOM 0 HB3 SER A 739 18.821 -21.122 -10.652 1.00 0.00 H new ATOM 0 HG SER A 739 16.379 -19.659 -11.056 1.00 0.00 H new ATOM 339 N LYS A 740 19.769 -21.510 -8.183 1.00 0.00 N ATOM 340 CA LYS A 740 20.968 -21.714 -7.379 1.00 0.00 C ATOM 341 C LYS A 740 22.189 -21.061 -8.024 1.00 0.00 C ATOM 342 O LYS A 740 23.249 -20.966 -7.404 1.00 0.00 O ATOM 343 CB LYS A 740 21.216 -23.209 -7.179 1.00 0.00 C ATOM 344 CG LYS A 740 20.064 -23.929 -6.494 1.00 0.00 C ATOM 345 CD LYS A 740 20.312 -25.427 -6.391 1.00 0.00 C ATOM 346 CE LYS A 740 21.500 -25.748 -5.498 1.00 0.00 C ATOM 347 NZ LYS A 740 21.741 -27.211 -5.410 1.00 0.00 N ATOM 0 H LYS A 740 19.561 -22.274 -8.826 1.00 0.00 H new ATOM 0 HA LYS A 740 20.808 -21.242 -6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 740 21.398 -23.672 -8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 740 22.121 -23.343 -6.587 1.00 0.00 H new ATOM 0 HG2 LYS A 740 19.920 -23.515 -5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 740 19.143 -23.751 -7.049 1.00 0.00 H new ATOM 0 HD2 LYS A 740 19.421 -25.916 -5.998 1.00 0.00 H new ATOM 0 HD3 LYS A 740 20.486 -25.835 -7.387 1.00 0.00 H new ATOM 0 HE2 LYS A 740 22.391 -25.255 -5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 740 21.324 -25.347 -4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 22.558 -27.392 -4.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 20.900 -27.678 -5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 21.934 -27.589 -6.360 1.00 0.00 H new ATOM 361 N LYS A 741 22.040 -20.635 -9.272 1.00 0.00 N ATOM 362 CA LYS A 741 23.107 -19.929 -9.975 1.00 0.00 C ATOM 363 C LYS A 741 23.409 -18.604 -9.291 1.00 0.00 C ATOM 364 O LYS A 741 22.503 -17.816 -9.032 1.00 0.00 O ATOM 365 CB LYS A 741 22.725 -19.658 -11.432 1.00 0.00 C ATOM 366 CG LYS A 741 22.647 -20.899 -12.305 1.00 0.00 C ATOM 367 CD LYS A 741 22.190 -20.550 -13.714 1.00 0.00 C ATOM 368 CE LYS A 741 22.354 -21.725 -14.667 1.00 0.00 C ATOM 369 NZ LYS A 741 23.785 -22.077 -14.874 1.00 0.00 N ATOM 0 H LYS A 741 21.190 -20.766 -9.820 1.00 0.00 H new ATOM 0 HA LYS A 741 23.991 -20.567 -9.951 1.00 0.00 H new ATOM 0 HB2 LYS A 741 21.759 -19.153 -11.453 1.00 0.00 H new ATOM 0 HB3 LYS A 741 23.453 -18.971 -11.863 1.00 0.00 H new ATOM 0 HG2 LYS A 741 23.624 -21.381 -12.345 1.00 0.00 H new ATOM 0 HG3 LYS A 741 21.956 -21.616 -11.862 1.00 0.00 H new ATOM 0 HD2 LYS A 741 21.144 -20.243 -13.692 1.00 0.00 H new ATOM 0 HD3 LYS A 741 22.764 -19.700 -14.083 1.00 0.00 H new ATOM 0 HE2 LYS A 741 21.821 -22.590 -14.272 1.00 0.00 H new ATOM 0 HE3 LYS A 741 21.898 -21.481 -15.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 741 23.880 -22.655 -15.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 741 24.345 -21.207 -14.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 741 24.132 -22.616 -14.055 1.00 0.00 H new ATOM 383 N MET A 742 24.677 -18.366 -8.993 1.00 0.00 N ATOM 384 CA MET A 742 25.095 -17.092 -8.418 1.00 0.00 C ATOM 385 C MET A 742 25.305 -16.055 -9.518 1.00 0.00 C ATOM 386 O MET A 742 25.200 -14.850 -9.279 1.00 0.00 O ATOM 387 CB MET A 742 26.381 -17.249 -7.592 1.00 0.00 C ATOM 388 CG MET A 742 27.534 -17.879 -8.358 1.00 0.00 C ATOM 389 SD MET A 742 29.114 -17.739 -7.494 1.00 0.00 S ATOM 390 CE MET A 742 28.744 -18.572 -5.951 1.00 0.00 C ATOM 0 H MET A 742 25.434 -19.034 -9.138 1.00 0.00 H new ATOM 0 HA MET A 742 24.302 -16.751 -7.753 1.00 0.00 H new ATOM 0 HB2 MET A 742 26.691 -16.268 -7.231 1.00 0.00 H new ATOM 0 HB3 MET A 742 26.165 -17.858 -6.714 1.00 0.00 H new ATOM 0 HG2 MET A 742 27.314 -18.932 -8.534 1.00 0.00 H new ATOM 0 HG3 MET A 742 27.617 -17.403 -9.335 1.00 0.00 H new ATOM 0 HE1 MET A 742 29.668 -18.738 -5.397 1.00 0.00 H new ATOM 0 HE2 MET A 742 28.070 -17.955 -5.357 1.00 0.00 H new ATOM 0 HE3 MET A 742 28.269 -19.530 -6.160 1.00 0.00 H new ATOM 400 N GLN A 743 25.587 -16.535 -10.725 1.00 0.00 N ATOM 401 CA GLN A 743 25.848 -15.660 -11.859 1.00 0.00 C ATOM 402 C GLN A 743 25.091 -16.148 -13.088 1.00 0.00 C ATOM 403 O GLN A 743 25.109 -17.335 -13.413 1.00 0.00 O ATOM 404 CB GLN A 743 27.348 -15.603 -12.173 1.00 0.00 C ATOM 405 CG GLN A 743 28.212 -15.105 -11.022 1.00 0.00 C ATOM 406 CD GLN A 743 29.696 -15.198 -11.321 1.00 0.00 C ATOM 407 OE1 GLN A 743 30.326 -16.229 -11.083 1.00 0.00 O ATOM 408 NE2 GLN A 743 30.274 -14.118 -11.825 1.00 0.00 N ATOM 0 H GLN A 743 25.640 -17.530 -10.942 1.00 0.00 H new ATOM 0 HA GLN A 743 25.506 -14.659 -11.596 1.00 0.00 H new ATOM 0 HB2 GLN A 743 27.685 -16.599 -12.460 1.00 0.00 H new ATOM 0 HB3 GLN A 743 27.502 -14.954 -13.035 1.00 0.00 H new ATOM 0 HG2 GLN A 743 27.954 -14.069 -10.801 1.00 0.00 H new ATOM 0 HG3 GLN A 743 27.989 -15.686 -10.127 1.00 0.00 H new ATOM 0 HE21 GLN A 743 29.720 -13.282 -12.009 1.00 0.00 H new ATOM 0 HE22 GLN A 743 31.273 -14.123 -12.029 1.00 0.00 H new ATOM 417 N LEU A 744 24.407 -15.232 -13.750 1.00 0.00 N ATOM 418 CA LEU A 744 23.722 -15.525 -14.993 1.00 0.00 C ATOM 419 C LEU A 744 24.635 -15.160 -16.153 1.00 0.00 C ATOM 420 O LEU A 744 24.766 -13.988 -16.514 1.00 0.00 O ATOM 421 CB LEU A 744 22.408 -14.739 -15.087 1.00 0.00 C ATOM 422 CG LEU A 744 21.218 -15.507 -15.676 1.00 0.00 C ATOM 423 CD1 LEU A 744 19.975 -14.630 -15.691 1.00 0.00 C ATOM 424 CD2 LEU A 744 21.522 -16.014 -17.076 1.00 0.00 C ATOM 0 H LEU A 744 24.312 -14.265 -13.440 1.00 0.00 H new ATOM 0 HA LEU A 744 23.481 -16.587 -15.030 1.00 0.00 H new ATOM 0 HB2 LEU A 744 22.138 -14.396 -14.088 1.00 0.00 H new ATOM 0 HB3 LEU A 744 22.580 -13.850 -15.693 1.00 0.00 H new ATOM 0 HG LEU A 744 21.033 -16.372 -15.039 1.00 0.00 H new ATOM 0 HD11 LEU A 744 19.140 -15.190 -16.112 1.00 0.00 H new ATOM 0 HD12 LEU A 744 19.732 -14.326 -14.673 1.00 0.00 H new ATOM 0 HD13 LEU A 744 20.162 -13.745 -16.299 1.00 0.00 H new ATOM 0 HD21 LEU A 744 20.658 -16.553 -17.463 1.00 0.00 H new ATOM 0 HD22 LEU A 744 21.745 -15.170 -17.728 1.00 0.00 H new ATOM 0 HD23 LEU A 744 22.382 -16.683 -17.042 1.00 0.00 H new ATOM 436 N GLU A 745 25.297 -16.163 -16.691 1.00 0.00 N ATOM 437 CA GLU A 745 26.227 -15.980 -17.790 1.00 0.00 C ATOM 438 C GLU A 745 25.480 -15.949 -19.118 1.00 0.00 C ATOM 439 O GLU A 745 25.069 -16.990 -19.635 1.00 0.00 O ATOM 440 CB GLU A 745 27.249 -17.117 -17.779 1.00 0.00 C ATOM 441 CG GLU A 745 28.003 -17.233 -16.464 1.00 0.00 C ATOM 442 CD GLU A 745 28.574 -18.619 -16.248 1.00 0.00 C ATOM 443 OE1 GLU A 745 29.624 -18.934 -16.841 1.00 0.00 O ATOM 444 OE2 GLU A 745 27.964 -19.406 -15.496 1.00 0.00 O ATOM 0 H GLU A 745 25.207 -17.130 -16.380 1.00 0.00 H new ATOM 0 HA GLU A 745 26.745 -15.028 -17.670 1.00 0.00 H new ATOM 0 HB2 GLU A 745 26.738 -18.058 -17.981 1.00 0.00 H new ATOM 0 HB3 GLU A 745 27.964 -16.962 -18.587 1.00 0.00 H new ATOM 0 HG2 GLU A 745 28.812 -16.503 -16.446 1.00 0.00 H new ATOM 0 HG3 GLU A 745 27.333 -16.986 -15.641 1.00 0.00 H new ATOM 451 N PHE A 746 25.277 -14.754 -19.648 1.00 0.00 N ATOM 452 CA PHE A 746 24.585 -14.588 -20.916 1.00 0.00 C ATOM 453 C PHE A 746 25.556 -14.731 -22.084 1.00 0.00 C ATOM 454 O PHE A 746 26.730 -14.388 -21.961 1.00 0.00 O ATOM 455 CB PHE A 746 23.904 -13.221 -20.987 1.00 0.00 C ATOM 456 CG PHE A 746 22.656 -13.100 -20.160 1.00 0.00 C ATOM 457 CD1 PHE A 746 21.421 -13.412 -20.707 1.00 0.00 C ATOM 458 CD2 PHE A 746 22.710 -12.653 -18.848 1.00 0.00 C ATOM 459 CE1 PHE A 746 20.267 -13.283 -19.961 1.00 0.00 C ATOM 460 CE2 PHE A 746 21.556 -12.520 -18.102 1.00 0.00 C ATOM 461 CZ PHE A 746 20.334 -12.837 -18.659 1.00 0.00 C ATOM 0 H PHE A 746 25.583 -13.881 -19.218 1.00 0.00 H new ATOM 0 HA PHE A 746 23.827 -15.368 -20.984 1.00 0.00 H new ATOM 0 HB2 PHE A 746 24.613 -12.459 -20.664 1.00 0.00 H new ATOM 0 HB3 PHE A 746 23.657 -13.006 -22.027 1.00 0.00 H new ATOM 0 HD1 PHE A 746 21.361 -13.760 -21.728 1.00 0.00 H new ATOM 0 HD2 PHE A 746 23.664 -12.407 -18.406 1.00 0.00 H new ATOM 0 HE1 PHE A 746 19.311 -13.532 -20.398 1.00 0.00 H new ATOM 0 HE2 PHE A 746 21.610 -12.168 -17.082 1.00 0.00 H new ATOM 0 HZ PHE A 746 19.431 -12.736 -18.075 1.00 0.00 H new ATOM 471 N PRO A 747 25.080 -15.245 -23.231 1.00 0.00 N ATOM 472 CA PRO A 747 25.896 -15.366 -24.443 1.00 0.00 C ATOM 473 C PRO A 747 26.239 -14.000 -25.043 1.00 0.00 C ATOM 474 O PRO A 747 25.510 -13.025 -24.846 1.00 0.00 O ATOM 475 CB PRO A 747 25.004 -16.158 -25.417 1.00 0.00 C ATOM 476 CG PRO A 747 23.883 -16.698 -24.595 1.00 0.00 C ATOM 477 CD PRO A 747 23.718 -15.756 -23.437 1.00 0.00 C ATOM 0 HA PRO A 747 26.851 -15.848 -24.236 1.00 0.00 H new ATOM 0 HB2 PRO A 747 24.630 -15.516 -26.214 1.00 0.00 H new ATOM 0 HB3 PRO A 747 25.564 -16.964 -25.892 1.00 0.00 H new ATOM 0 HG2 PRO A 747 22.966 -16.759 -25.181 1.00 0.00 H new ATOM 0 HG3 PRO A 747 24.107 -17.707 -24.247 1.00 0.00 H new ATOM 0 HD2 PRO A 747 23.016 -14.954 -23.666 1.00 0.00 H new ATOM 0 HD3 PRO A 747 23.340 -16.267 -22.551 1.00 0.00 H new ATOM 485 N PRO A 748 27.347 -13.912 -25.799 1.00 0.00 N ATOM 486 CA PRO A 748 27.767 -12.662 -26.453 1.00 0.00 C ATOM 487 C PRO A 748 26.814 -12.239 -27.571 1.00 0.00 C ATOM 488 O PRO A 748 26.926 -11.136 -28.108 1.00 0.00 O ATOM 489 CB PRO A 748 29.143 -13.005 -27.031 1.00 0.00 C ATOM 490 CG PRO A 748 29.136 -14.486 -27.185 1.00 0.00 C ATOM 491 CD PRO A 748 28.292 -15.013 -26.060 1.00 0.00 C ATOM 0 HA PRO A 748 27.778 -11.825 -25.755 1.00 0.00 H new ATOM 0 HB2 PRO A 748 29.304 -12.509 -27.988 1.00 0.00 H new ATOM 0 HB3 PRO A 748 29.943 -12.681 -26.365 1.00 0.00 H new ATOM 0 HG2 PRO A 748 28.724 -14.776 -28.151 1.00 0.00 H new ATOM 0 HG3 PRO A 748 30.148 -14.889 -27.136 1.00 0.00 H new ATOM 0 HD2 PRO A 748 27.774 -15.930 -26.342 1.00 0.00 H new ATOM 0 HD3 PRO A 748 28.893 -15.244 -25.181 1.00 0.00 H new ATOM 499 N SER A 749 25.879 -13.126 -27.904 1.00 0.00 N ATOM 500 CA SER A 749 24.894 -12.875 -28.954 1.00 0.00 C ATOM 501 C SER A 749 23.990 -11.690 -28.597 1.00 0.00 C ATOM 502 O SER A 749 23.394 -11.067 -29.480 1.00 0.00 O ATOM 503 CB SER A 749 24.052 -14.135 -29.194 1.00 0.00 C ATOM 504 OG SER A 749 23.152 -13.961 -30.277 1.00 0.00 O ATOM 0 H SER A 749 25.783 -14.037 -27.455 1.00 0.00 H new ATOM 0 HA SER A 749 25.429 -12.622 -29.869 1.00 0.00 H new ATOM 0 HB2 SER A 749 24.710 -14.980 -29.398 1.00 0.00 H new ATOM 0 HB3 SER A 749 23.493 -14.378 -28.290 1.00 0.00 H new ATOM 0 HG SER A 749 22.632 -14.782 -30.405 1.00 0.00 H new ATOM 510 N LEU A 750 23.890 -11.390 -27.305 1.00 0.00 N ATOM 511 CA LEU A 750 23.136 -10.230 -26.840 1.00 0.00 C ATOM 512 C LEU A 750 23.714 -8.954 -27.450 1.00 0.00 C ATOM 513 O LEU A 750 24.884 -8.629 -27.227 1.00 0.00 O ATOM 514 CB LEU A 750 23.183 -10.140 -25.311 1.00 0.00 C ATOM 515 CG LEU A 750 22.163 -11.003 -24.558 1.00 0.00 C ATOM 516 CD1 LEU A 750 22.401 -12.487 -24.795 1.00 0.00 C ATOM 517 CD2 LEU A 750 22.207 -10.685 -23.075 1.00 0.00 C ATOM 0 H LEU A 750 24.323 -11.936 -26.560 1.00 0.00 H new ATOM 0 HA LEU A 750 22.098 -10.341 -27.154 1.00 0.00 H new ATOM 0 HB2 LEU A 750 24.183 -10.421 -24.980 1.00 0.00 H new ATOM 0 HB3 LEU A 750 23.033 -9.100 -25.023 1.00 0.00 H new ATOM 0 HG LEU A 750 21.171 -10.766 -24.944 1.00 0.00 H new ATOM 0 HD11 LEU A 750 21.659 -13.067 -24.246 1.00 0.00 H new ATOM 0 HD12 LEU A 750 22.315 -12.704 -25.860 1.00 0.00 H new ATOM 0 HD13 LEU A 750 23.399 -12.755 -24.450 1.00 0.00 H new ATOM 0 HD21 LEU A 750 21.479 -11.303 -22.549 1.00 0.00 H new ATOM 0 HD22 LEU A 750 23.205 -10.891 -22.688 1.00 0.00 H new ATOM 0 HD23 LEU A 750 21.968 -9.633 -22.921 1.00 0.00 H new ATOM 529 N ASN A 751 22.911 -8.240 -28.225 1.00 0.00 N ATOM 530 CA ASN A 751 23.367 -7.001 -28.844 1.00 0.00 C ATOM 531 C ASN A 751 23.282 -5.863 -27.828 1.00 0.00 C ATOM 532 O ASN A 751 22.915 -6.088 -26.673 1.00 0.00 O ATOM 533 CB ASN A 751 22.554 -6.693 -30.120 1.00 0.00 C ATOM 534 CG ASN A 751 21.342 -5.797 -29.898 1.00 0.00 C ATOM 535 OD1 ASN A 751 21.420 -4.581 -30.058 1.00 0.00 O ATOM 536 ND2 ASN A 751 20.220 -6.382 -29.520 1.00 0.00 N ATOM 0 H ASN A 751 21.947 -8.494 -28.440 1.00 0.00 H new ATOM 0 HA ASN A 751 24.407 -7.111 -29.150 1.00 0.00 H new ATOM 0 HB2 ASN A 751 23.212 -6.219 -30.849 1.00 0.00 H new ATOM 0 HB3 ASN A 751 22.219 -7.633 -30.558 1.00 0.00 H new ATOM 0 HD21 ASN A 751 19.384 -5.822 -29.352 1.00 0.00 H new ATOM 0 HD22 ASN A 751 20.189 -7.394 -29.396 1.00 0.00 H new ATOM 543 N SER A 752 23.629 -4.653 -28.248 1.00 0.00 N ATOM 544 CA SER A 752 23.623 -3.497 -27.359 1.00 0.00 C ATOM 545 C SER A 752 22.258 -3.321 -26.689 1.00 0.00 C ATOM 546 O SER A 752 22.176 -3.071 -25.487 1.00 0.00 O ATOM 547 CB SER A 752 24.006 -2.242 -28.145 1.00 0.00 C ATOM 548 OG SER A 752 23.258 -2.149 -29.346 1.00 0.00 O ATOM 0 H SER A 752 23.920 -4.446 -29.204 1.00 0.00 H new ATOM 0 HA SER A 752 24.356 -3.661 -26.570 1.00 0.00 H new ATOM 0 HB2 SER A 752 23.830 -1.357 -27.533 1.00 0.00 H new ATOM 0 HB3 SER A 752 25.071 -2.264 -28.376 1.00 0.00 H new ATOM 0 HG SER A 752 22.701 -2.949 -29.447 1.00 0.00 H new ATOM 554 N HIS A 753 21.198 -3.492 -27.470 1.00 0.00 N ATOM 555 CA HIS A 753 19.836 -3.359 -26.966 1.00 0.00 C ATOM 556 C HIS A 753 19.496 -4.499 -26.009 1.00 0.00 C ATOM 557 O HIS A 753 18.850 -4.285 -24.982 1.00 0.00 O ATOM 558 CB HIS A 753 18.836 -3.340 -28.126 1.00 0.00 C ATOM 559 CG HIS A 753 19.040 -2.209 -29.089 1.00 0.00 C ATOM 560 ND1 HIS A 753 19.893 -2.266 -30.171 1.00 0.00 N ATOM 561 CD2 HIS A 753 18.476 -0.977 -29.123 1.00 0.00 C ATOM 562 CE1 HIS A 753 19.823 -1.095 -30.812 1.00 0.00 C ATOM 563 NE2 HIS A 753 18.976 -0.276 -30.218 1.00 0.00 N ATOM 0 H HIS A 753 21.256 -3.725 -28.461 1.00 0.00 H new ATOM 0 HA HIS A 753 19.769 -2.417 -26.422 1.00 0.00 H new ATOM 0 HB2 HIS A 753 18.907 -4.283 -28.669 1.00 0.00 H new ATOM 0 HB3 HIS A 753 17.826 -3.281 -27.720 1.00 0.00 H new ATOM 0 HD1 HIS A 753 20.475 -3.061 -30.435 1.00 0.00 H new ATOM 0 HD2 HIS A 753 17.754 -0.599 -28.414 1.00 0.00 H new ATOM 0 HE1 HIS A 753 20.386 -0.851 -31.700 1.00 0.00 H new ATOM 571 N ASP A 754 19.943 -5.711 -26.348 1.00 0.00 N ATOM 572 CA ASP A 754 19.708 -6.881 -25.498 1.00 0.00 C ATOM 573 C ASP A 754 20.324 -6.668 -24.130 1.00 0.00 C ATOM 574 O ASP A 754 19.667 -6.840 -23.104 1.00 0.00 O ATOM 575 CB ASP A 754 20.311 -8.155 -26.103 1.00 0.00 C ATOM 576 CG ASP A 754 19.595 -8.652 -27.339 1.00 0.00 C ATOM 577 OD1 ASP A 754 18.411 -9.016 -27.244 1.00 0.00 O ATOM 578 OD2 ASP A 754 20.234 -8.713 -28.408 1.00 0.00 O ATOM 0 H ASP A 754 20.467 -5.907 -27.201 1.00 0.00 H new ATOM 0 HA ASP A 754 18.628 -7.003 -25.417 1.00 0.00 H new ATOM 0 HB2 ASP A 754 21.355 -7.967 -26.353 1.00 0.00 H new ATOM 0 HB3 ASP A 754 20.300 -8.942 -25.349 1.00 0.00 H new ATOM 583 N ARG A 755 21.593 -6.285 -24.127 1.00 0.00 N ATOM 584 CA ARG A 755 22.330 -6.079 -22.893 1.00 0.00 C ATOM 585 C ARG A 755 21.740 -4.923 -22.108 1.00 0.00 C ATOM 586 O ARG A 755 21.563 -5.027 -20.903 1.00 0.00 O ATOM 587 CB ARG A 755 23.804 -5.824 -23.187 1.00 0.00 C ATOM 588 CG ARG A 755 24.430 -6.925 -24.016 1.00 0.00 C ATOM 589 CD ARG A 755 25.895 -6.660 -24.299 1.00 0.00 C ATOM 590 NE ARG A 755 26.412 -7.599 -25.288 1.00 0.00 N ATOM 591 CZ ARG A 755 27.510 -8.326 -25.137 1.00 0.00 C ATOM 592 NH1 ARG A 755 28.234 -8.229 -24.028 1.00 0.00 N ATOM 593 NH2 ARG A 755 27.874 -9.171 -26.093 1.00 0.00 N ATOM 0 H ARG A 755 22.135 -6.110 -24.973 1.00 0.00 H new ATOM 0 HA ARG A 755 22.249 -6.983 -22.290 1.00 0.00 H new ATOM 0 HB2 ARG A 755 23.907 -4.875 -23.713 1.00 0.00 H new ATOM 0 HB3 ARG A 755 24.347 -5.728 -22.247 1.00 0.00 H new ATOM 0 HG2 ARG A 755 24.328 -7.876 -23.492 1.00 0.00 H new ATOM 0 HG3 ARG A 755 23.890 -7.021 -24.958 1.00 0.00 H new ATOM 0 HD2 ARG A 755 26.021 -5.639 -24.660 1.00 0.00 H new ATOM 0 HD3 ARG A 755 26.469 -6.745 -23.376 1.00 0.00 H new ATOM 0 HE ARG A 755 25.891 -7.704 -26.159 1.00 0.00 H new ATOM 0 HH11 ARG A 755 27.946 -7.592 -23.285 1.00 0.00 H new ATOM 0 HH12 ARG A 755 29.078 -8.792 -23.919 1.00 0.00 H new ATOM 0 HH21 ARG A 755 27.310 -9.258 -26.938 1.00 0.00 H new ATOM 0 HH22 ARG A 755 28.718 -9.733 -25.983 1.00 0.00 H new ATOM 607 N LEU A 756 21.422 -3.834 -22.803 1.00 0.00 N ATOM 608 CA LEU A 756 20.798 -2.675 -22.173 1.00 0.00 C ATOM 609 C LEU A 756 19.537 -3.094 -21.427 1.00 0.00 C ATOM 610 O LEU A 756 19.280 -2.635 -20.316 1.00 0.00 O ATOM 611 CB LEU A 756 20.451 -1.620 -23.222 1.00 0.00 C ATOM 612 CG LEU A 756 19.744 -0.373 -22.688 1.00 0.00 C ATOM 613 CD1 LEU A 756 20.674 0.437 -21.799 1.00 0.00 C ATOM 614 CD2 LEU A 756 19.224 0.476 -23.837 1.00 0.00 C ATOM 0 H LEU A 756 21.587 -3.730 -23.804 1.00 0.00 H new ATOM 0 HA LEU A 756 21.506 -2.248 -21.463 1.00 0.00 H new ATOM 0 HB2 LEU A 756 21.370 -1.311 -23.720 1.00 0.00 H new ATOM 0 HB3 LEU A 756 19.817 -2.080 -23.980 1.00 0.00 H new ATOM 0 HG LEU A 756 18.895 -0.693 -22.084 1.00 0.00 H new ATOM 0 HD11 LEU A 756 20.149 1.319 -21.431 1.00 0.00 H new ATOM 0 HD12 LEU A 756 20.994 -0.174 -20.955 1.00 0.00 H new ATOM 0 HD13 LEU A 756 21.547 0.748 -22.373 1.00 0.00 H new ATOM 0 HD21 LEU A 756 18.724 1.359 -23.440 1.00 0.00 H new ATOM 0 HD22 LEU A 756 20.058 0.784 -24.468 1.00 0.00 H new ATOM 0 HD23 LEU A 756 18.517 -0.106 -24.429 1.00 0.00 H new ATOM 626 N ARG A 757 18.761 -3.979 -22.046 1.00 0.00 N ATOM 627 CA ARG A 757 17.564 -4.514 -21.419 1.00 0.00 C ATOM 628 C ARG A 757 17.930 -5.244 -20.129 1.00 0.00 C ATOM 629 O ARG A 757 17.331 -5.006 -19.083 1.00 0.00 O ATOM 630 CB ARG A 757 16.838 -5.463 -22.379 1.00 0.00 C ATOM 631 CG ARG A 757 15.474 -5.924 -21.887 1.00 0.00 C ATOM 632 CD ARG A 757 14.400 -4.854 -22.062 1.00 0.00 C ATOM 633 NE ARG A 757 14.659 -3.643 -21.278 1.00 0.00 N ATOM 634 CZ ARG A 757 13.865 -3.201 -20.300 1.00 0.00 C ATOM 635 NH1 ARG A 757 12.780 -3.884 -19.956 1.00 0.00 N ATOM 636 NH2 ARG A 757 14.157 -2.067 -19.671 1.00 0.00 N ATOM 0 H ARG A 757 18.943 -4.339 -22.983 1.00 0.00 H new ATOM 0 HA ARG A 757 16.896 -3.687 -21.178 1.00 0.00 H new ATOM 0 HB2 ARG A 757 16.716 -4.965 -23.341 1.00 0.00 H new ATOM 0 HB3 ARG A 757 17.465 -6.338 -22.550 1.00 0.00 H new ATOM 0 HG2 ARG A 757 15.180 -6.822 -22.430 1.00 0.00 H new ATOM 0 HG3 ARG A 757 15.544 -6.196 -20.834 1.00 0.00 H new ATOM 0 HD2 ARG A 757 14.329 -4.588 -23.117 1.00 0.00 H new ATOM 0 HD3 ARG A 757 13.434 -5.267 -21.772 1.00 0.00 H new ATOM 0 HE ARG A 757 15.498 -3.104 -21.493 1.00 0.00 H new ATOM 0 HH11 ARG A 757 12.549 -4.752 -20.440 1.00 0.00 H new ATOM 0 HH12 ARG A 757 12.177 -3.541 -19.208 1.00 0.00 H new ATOM 0 HH21 ARG A 757 14.987 -1.536 -19.936 1.00 0.00 H new ATOM 0 HH22 ARG A 757 13.551 -1.728 -18.924 1.00 0.00 H new ATOM 650 N VAL A 758 18.937 -6.110 -20.208 1.00 0.00 N ATOM 651 CA VAL A 758 19.407 -6.861 -19.045 1.00 0.00 C ATOM 652 C VAL A 758 19.883 -5.919 -17.940 1.00 0.00 C ATOM 653 O VAL A 758 19.471 -6.050 -16.785 1.00 0.00 O ATOM 654 CB VAL A 758 20.557 -7.823 -19.416 1.00 0.00 C ATOM 655 CG1 VAL A 758 21.020 -8.609 -18.201 1.00 0.00 C ATOM 656 CG2 VAL A 758 20.132 -8.771 -20.524 1.00 0.00 C ATOM 0 H VAL A 758 19.446 -6.310 -21.069 1.00 0.00 H new ATOM 0 HA VAL A 758 18.560 -7.446 -18.685 1.00 0.00 H new ATOM 0 HB VAL A 758 21.392 -7.221 -19.776 1.00 0.00 H new ATOM 0 HG11 VAL A 758 21.830 -9.279 -18.488 1.00 0.00 H new ATOM 0 HG12 VAL A 758 21.374 -7.919 -17.435 1.00 0.00 H new ATOM 0 HG13 VAL A 758 20.188 -9.193 -17.807 1.00 0.00 H new ATOM 0 HG21 VAL A 758 20.958 -9.439 -20.768 1.00 0.00 H new ATOM 0 HG22 VAL A 758 19.276 -9.359 -20.192 1.00 0.00 H new ATOM 0 HG23 VAL A 758 19.856 -8.197 -21.408 1.00 0.00 H new ATOM 666 N HIS A 759 20.743 -4.967 -18.305 1.00 0.00 N ATOM 667 CA HIS A 759 21.263 -3.989 -17.353 1.00 0.00 C ATOM 668 C HIS A 759 20.122 -3.261 -16.658 1.00 0.00 C ATOM 669 O HIS A 759 20.081 -3.185 -15.435 1.00 0.00 O ATOM 670 CB HIS A 759 22.173 -2.958 -18.036 1.00 0.00 C ATOM 671 CG HIS A 759 23.487 -3.495 -18.526 1.00 0.00 C ATOM 672 ND1 HIS A 759 24.494 -3.837 -17.658 1.00 0.00 N ATOM 673 CD2 HIS A 759 23.913 -3.700 -19.793 1.00 0.00 C ATOM 674 CE1 HIS A 759 25.502 -4.237 -18.408 1.00 0.00 C ATOM 675 NE2 HIS A 759 25.200 -4.171 -19.713 1.00 0.00 N ATOM 0 H HIS A 759 21.094 -4.854 -19.256 1.00 0.00 H new ATOM 0 HA HIS A 759 21.852 -4.540 -16.619 1.00 0.00 H new ATOM 0 HB2 HIS A 759 21.637 -2.526 -18.881 1.00 0.00 H new ATOM 0 HB3 HIS A 759 22.368 -2.147 -17.334 1.00 0.00 H new ATOM 0 HD1 HIS A 759 24.468 -3.791 -16.639 1.00 0.00 H new ATOM 0 HD2 HIS A 759 23.348 -3.526 -20.697 1.00 0.00 H new ATOM 0 HE1 HIS A 759 26.451 -4.575 -18.020 1.00 0.00 H new ATOM 683 N GLN A 760 19.181 -2.751 -17.446 1.00 0.00 N ATOM 684 CA GLN A 760 18.062 -1.987 -16.912 1.00 0.00 C ATOM 685 C GLN A 760 17.173 -2.837 -16.015 1.00 0.00 C ATOM 686 O GLN A 760 16.663 -2.354 -15.008 1.00 0.00 O ATOM 687 CB GLN A 760 17.236 -1.401 -18.049 1.00 0.00 C ATOM 688 CG GLN A 760 17.946 -0.301 -18.812 1.00 0.00 C ATOM 689 CD GLN A 760 17.074 0.299 -19.894 1.00 0.00 C ATOM 690 OE1 GLN A 760 16.222 -0.382 -20.467 1.00 0.00 O ATOM 691 NE2 GLN A 760 17.278 1.577 -20.177 1.00 0.00 N ATOM 0 H GLN A 760 19.173 -2.854 -18.461 1.00 0.00 H new ATOM 0 HA GLN A 760 18.476 -1.181 -16.306 1.00 0.00 H new ATOM 0 HB2 GLN A 760 16.970 -2.199 -18.742 1.00 0.00 H new ATOM 0 HB3 GLN A 760 16.304 -1.007 -17.644 1.00 0.00 H new ATOM 0 HG2 GLN A 760 18.251 0.482 -18.118 1.00 0.00 H new ATOM 0 HG3 GLN A 760 18.855 -0.701 -19.261 1.00 0.00 H new ATOM 0 HE21 GLN A 760 17.995 2.102 -19.677 1.00 0.00 H new ATOM 0 HE22 GLN A 760 16.718 2.036 -20.895 1.00 0.00 H new ATOM 700 N ILE A 761 16.976 -4.094 -16.380 1.00 0.00 N ATOM 701 CA ILE A 761 16.159 -4.991 -15.572 1.00 0.00 C ATOM 702 C ILE A 761 16.863 -5.324 -14.258 1.00 0.00 C ATOM 703 O ILE A 761 16.253 -5.291 -13.191 1.00 0.00 O ATOM 704 CB ILE A 761 15.802 -6.290 -16.328 1.00 0.00 C ATOM 705 CG1 ILE A 761 14.901 -5.964 -17.518 1.00 0.00 C ATOM 706 CG2 ILE A 761 15.111 -7.285 -15.401 1.00 0.00 C ATOM 707 CD1 ILE A 761 14.636 -7.143 -18.431 1.00 0.00 C ATOM 0 H ILE A 761 17.366 -4.515 -17.223 1.00 0.00 H new ATOM 0 HA ILE A 761 15.227 -4.468 -15.356 1.00 0.00 H new ATOM 0 HB ILE A 761 16.724 -6.746 -16.689 1.00 0.00 H new ATOM 0 HG12 ILE A 761 13.949 -5.584 -17.147 1.00 0.00 H new ATOM 0 HG13 ILE A 761 15.359 -5.163 -18.099 1.00 0.00 H new ATOM 0 HG21 ILE A 761 14.869 -8.192 -15.956 1.00 0.00 H new ATOM 0 HG22 ILE A 761 15.775 -7.532 -14.573 1.00 0.00 H new ATOM 0 HG23 ILE A 761 14.194 -6.843 -15.011 1.00 0.00 H new ATOM 0 HD11 ILE A 761 13.989 -6.830 -19.251 1.00 0.00 H new ATOM 0 HD12 ILE A 761 15.580 -7.511 -18.834 1.00 0.00 H new ATOM 0 HD13 ILE A 761 14.148 -7.938 -17.867 1.00 0.00 H new ATOM 719 N ALA A 762 18.156 -5.615 -14.329 1.00 0.00 N ATOM 720 CA ALA A 762 18.936 -5.891 -13.133 1.00 0.00 C ATOM 721 C ALA A 762 19.036 -4.639 -12.270 1.00 0.00 C ATOM 722 O ALA A 762 19.038 -4.710 -11.042 1.00 0.00 O ATOM 723 CB ALA A 762 20.318 -6.398 -13.506 1.00 0.00 C ATOM 0 H ALA A 762 18.684 -5.665 -15.200 1.00 0.00 H new ATOM 0 HA ALA A 762 18.432 -6.668 -12.558 1.00 0.00 H new ATOM 0 HB1 ALA A 762 20.889 -6.600 -12.599 1.00 0.00 H new ATOM 0 HB2 ALA A 762 20.224 -7.315 -14.087 1.00 0.00 H new ATOM 0 HB3 ALA A 762 20.834 -5.643 -14.099 1.00 0.00 H new ATOM 729 N GLU A 763 19.109 -3.497 -12.933 1.00 0.00 N ATOM 730 CA GLU A 763 19.120 -2.195 -12.276 1.00 0.00 C ATOM 731 C GLU A 763 17.775 -1.930 -11.593 1.00 0.00 C ATOM 732 O GLU A 763 17.723 -1.378 -10.492 1.00 0.00 O ATOM 733 CB GLU A 763 19.425 -1.122 -13.329 1.00 0.00 C ATOM 734 CG GLU A 763 19.688 0.272 -12.785 1.00 0.00 C ATOM 735 CD GLU A 763 20.180 1.210 -13.871 1.00 0.00 C ATOM 736 OE1 GLU A 763 19.353 1.686 -14.682 1.00 0.00 O ATOM 737 OE2 GLU A 763 21.401 1.466 -13.939 1.00 0.00 O ATOM 0 H GLU A 763 19.163 -3.444 -13.950 1.00 0.00 H new ATOM 0 HA GLU A 763 19.888 -2.172 -11.503 1.00 0.00 H new ATOM 0 HB2 GLU A 763 20.295 -1.439 -13.904 1.00 0.00 H new ATOM 0 HB3 GLU A 763 18.586 -1.070 -14.023 1.00 0.00 H new ATOM 0 HG2 GLU A 763 18.774 0.671 -12.346 1.00 0.00 H new ATOM 0 HG3 GLU A 763 20.428 0.218 -11.987 1.00 0.00 H new ATOM 744 N GLU A 764 16.694 -2.346 -12.248 1.00 0.00 N ATOM 745 CA GLU A 764 15.346 -2.207 -11.702 1.00 0.00 C ATOM 746 C GLU A 764 15.140 -3.144 -10.514 1.00 0.00 C ATOM 747 O GLU A 764 14.573 -2.755 -9.491 1.00 0.00 O ATOM 748 CB GLU A 764 14.303 -2.501 -12.790 1.00 0.00 C ATOM 749 CG GLU A 764 12.863 -2.437 -12.301 1.00 0.00 C ATOM 750 CD GLU A 764 11.849 -2.720 -13.394 1.00 0.00 C ATOM 751 OE1 GLU A 764 11.627 -3.904 -13.719 1.00 0.00 O ATOM 752 OE2 GLU A 764 11.251 -1.757 -13.919 1.00 0.00 O ATOM 0 H GLU A 764 16.727 -2.787 -13.167 1.00 0.00 H new ATOM 0 HA GLU A 764 15.222 -1.181 -11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 764 14.431 -1.788 -13.604 1.00 0.00 H new ATOM 0 HB3 GLU A 764 14.492 -3.492 -13.202 1.00 0.00 H new ATOM 0 HG2 GLU A 764 12.728 -3.156 -11.493 1.00 0.00 H new ATOM 0 HG3 GLU A 764 12.671 -1.449 -11.883 1.00 0.00 H new ATOM 759 N HIS A 765 15.616 -4.375 -10.650 1.00 0.00 N ATOM 760 CA HIS A 765 15.465 -5.379 -9.601 1.00 0.00 C ATOM 761 C HIS A 765 16.426 -5.111 -8.451 1.00 0.00 C ATOM 762 O HIS A 765 16.137 -5.439 -7.299 1.00 0.00 O ATOM 763 CB HIS A 765 15.691 -6.785 -10.169 1.00 0.00 C ATOM 764 CG HIS A 765 14.552 -7.290 -11.006 1.00 0.00 C ATOM 765 ND1 HIS A 765 14.130 -8.602 -11.020 1.00 0.00 N ATOM 766 CD2 HIS A 765 13.741 -6.631 -11.874 1.00 0.00 C ATOM 767 CE1 HIS A 765 13.101 -8.697 -11.873 1.00 0.00 C ATOM 768 NE2 HIS A 765 12.825 -7.527 -12.417 1.00 0.00 N ATOM 0 H HIS A 765 16.112 -4.704 -11.478 1.00 0.00 H new ATOM 0 HA HIS A 765 14.447 -5.317 -9.216 1.00 0.00 H new ATOM 0 HB2 HIS A 765 16.599 -6.782 -10.772 1.00 0.00 H new ATOM 0 HB3 HIS A 765 15.859 -7.477 -9.344 1.00 0.00 H new ATOM 0 HD2 HIS A 765 13.798 -5.578 -12.106 1.00 0.00 H new ATOM 0 HE1 HIS A 765 12.568 -9.611 -12.087 1.00 0.00 H new ATOM 0 HE2 HIS A 765 12.092 -7.322 -13.096 1.00 0.00 H new ATOM 776 N GLY A 766 17.563 -4.507 -8.764 1.00 0.00 N ATOM 777 CA GLY A 766 18.532 -4.177 -7.741 1.00 0.00 C ATOM 778 C GLY A 766 19.568 -5.262 -7.568 1.00 0.00 C ATOM 779 O GLY A 766 19.916 -5.624 -6.444 1.00 0.00 O ATOM 0 H GLY A 766 17.832 -4.239 -9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 766 19.028 -3.241 -8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 766 18.017 -4.014 -6.794 1.00 0.00 H new ATOM 783 N LEU A 767 20.059 -5.787 -8.681 1.00 0.00 N ATOM 784 CA LEU A 767 21.062 -6.839 -8.646 1.00 0.00 C ATOM 785 C LEU A 767 22.407 -6.313 -9.138 1.00 0.00 C ATOM 786 O LEU A 767 22.586 -5.110 -9.323 1.00 0.00 O ATOM 787 CB LEU A 767 20.626 -8.031 -9.504 1.00 0.00 C ATOM 788 CG LEU A 767 19.287 -8.665 -9.120 1.00 0.00 C ATOM 789 CD1 LEU A 767 18.927 -9.769 -10.099 1.00 0.00 C ATOM 790 CD2 LEU A 767 19.340 -9.208 -7.700 1.00 0.00 C ATOM 0 H LEU A 767 19.779 -5.501 -9.619 1.00 0.00 H new ATOM 0 HA LEU A 767 21.168 -7.170 -7.613 1.00 0.00 H new ATOM 0 HB2 LEU A 767 20.570 -7.707 -10.543 1.00 0.00 H new ATOM 0 HB3 LEU A 767 21.399 -8.797 -9.450 1.00 0.00 H new ATOM 0 HG LEU A 767 18.515 -7.897 -9.164 1.00 0.00 H new ATOM 0 HD11 LEU A 767 17.972 -10.211 -9.814 1.00 0.00 H new ATOM 0 HD12 LEU A 767 18.849 -9.353 -11.104 1.00 0.00 H new ATOM 0 HD13 LEU A 767 19.701 -10.536 -10.083 1.00 0.00 H new ATOM 0 HD21 LEU A 767 18.379 -9.655 -7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 767 20.122 -9.964 -7.628 1.00 0.00 H new ATOM 0 HD23 LEU A 767 19.557 -8.395 -7.007 1.00 0.00 H new ATOM 802 N ARG A 768 23.344 -7.221 -9.343 1.00 0.00 N ATOM 803 CA ARG A 768 24.677 -6.867 -9.795 1.00 0.00 C ATOM 804 C ARG A 768 24.850 -7.265 -11.255 1.00 0.00 C ATOM 805 O ARG A 768 24.604 -8.409 -11.622 1.00 0.00 O ATOM 806 CB ARG A 768 25.697 -7.582 -8.910 1.00 0.00 C ATOM 807 CG ARG A 768 27.150 -7.311 -9.253 1.00 0.00 C ATOM 808 CD ARG A 768 28.066 -8.144 -8.364 1.00 0.00 C ATOM 809 NE ARG A 768 29.486 -7.904 -8.616 1.00 0.00 N ATOM 810 CZ ARG A 768 30.290 -8.764 -9.254 1.00 0.00 C ATOM 811 NH1 ARG A 768 29.794 -9.860 -9.813 1.00 0.00 N ATOM 812 NH2 ARG A 768 31.589 -8.521 -9.347 1.00 0.00 N ATOM 0 H ARG A 768 23.203 -8.221 -9.201 1.00 0.00 H new ATOM 0 HA ARG A 768 24.829 -5.790 -9.720 1.00 0.00 H new ATOM 0 HB2 ARG A 768 25.524 -7.290 -7.874 1.00 0.00 H new ATOM 0 HB3 ARG A 768 25.519 -8.656 -8.972 1.00 0.00 H new ATOM 0 HG2 ARG A 768 27.334 -7.548 -10.301 1.00 0.00 H new ATOM 0 HG3 ARG A 768 27.370 -6.251 -9.123 1.00 0.00 H new ATOM 0 HD2 ARG A 768 27.847 -7.924 -7.319 1.00 0.00 H new ATOM 0 HD3 ARG A 768 27.849 -9.201 -8.519 1.00 0.00 H new ATOM 0 HE ARG A 768 29.889 -7.027 -8.285 1.00 0.00 H new ATOM 0 HH11 ARG A 768 28.794 -10.052 -9.759 1.00 0.00 H new ATOM 0 HH12 ARG A 768 30.413 -10.510 -10.297 1.00 0.00 H new ATOM 0 HH21 ARG A 768 31.981 -7.676 -8.932 1.00 0.00 H new ATOM 0 HH22 ARG A 768 32.197 -9.179 -9.834 1.00 0.00 H new ATOM 826 N HIS A 769 25.258 -6.327 -12.089 1.00 0.00 N ATOM 827 CA HIS A 769 25.391 -6.594 -13.515 1.00 0.00 C ATOM 828 C HIS A 769 26.642 -5.938 -14.085 1.00 0.00 C ATOM 829 O HIS A 769 26.917 -4.763 -13.830 1.00 0.00 O ATOM 830 CB HIS A 769 24.139 -6.135 -14.274 1.00 0.00 C ATOM 831 CG HIS A 769 23.663 -4.757 -13.914 1.00 0.00 C ATOM 832 ND1 HIS A 769 23.813 -3.699 -14.774 1.00 0.00 N ATOM 833 CD2 HIS A 769 23.018 -4.329 -12.800 1.00 0.00 C ATOM 834 CE1 HIS A 769 23.259 -2.662 -14.178 1.00 0.00 C ATOM 835 NE2 HIS A 769 22.765 -2.994 -12.976 1.00 0.00 N ATOM 0 H HIS A 769 25.503 -5.377 -11.809 1.00 0.00 H new ATOM 0 HA HIS A 769 25.492 -7.671 -13.645 1.00 0.00 H new ATOM 0 HB2 HIS A 769 24.346 -6.166 -15.344 1.00 0.00 H new ATOM 0 HB3 HIS A 769 23.334 -6.845 -14.084 1.00 0.00 H new ATOM 0 HD2 HIS A 769 22.754 -4.926 -11.939 1.00 0.00 H new ATOM 0 HE1 HIS A 769 23.209 -1.671 -14.604 1.00 0.00 H new ATOM 0 HE2 HIS A 769 22.292 -2.373 -12.320 1.00 0.00 H new ATOM 843 N ASP A 770 27.401 -6.712 -14.851 1.00 0.00 N ATOM 844 CA ASP A 770 28.668 -6.247 -15.409 1.00 0.00 C ATOM 845 C ASP A 770 29.031 -7.043 -16.653 1.00 0.00 C ATOM 846 O ASP A 770 28.833 -8.259 -16.708 1.00 0.00 O ATOM 847 CB ASP A 770 29.775 -6.368 -14.348 1.00 0.00 C ATOM 848 CG ASP A 770 31.160 -6.060 -14.886 1.00 0.00 C ATOM 849 OD1 ASP A 770 31.542 -4.872 -14.921 1.00 0.00 O ATOM 850 OD2 ASP A 770 31.877 -7.010 -15.258 1.00 0.00 O ATOM 0 H ASP A 770 27.160 -7.671 -15.102 1.00 0.00 H new ATOM 0 HA ASP A 770 28.565 -5.201 -15.698 1.00 0.00 H new ATOM 0 HB2 ASP A 770 29.554 -5.690 -13.524 1.00 0.00 H new ATOM 0 HB3 ASP A 770 29.768 -7.379 -13.940 1.00 0.00 H new ATOM 855 N SER A 771 29.534 -6.353 -17.661 1.00 0.00 N ATOM 856 CA SER A 771 29.954 -7.006 -18.884 1.00 0.00 C ATOM 857 C SER A 771 31.382 -7.513 -18.745 1.00 0.00 C ATOM 858 O SER A 771 32.261 -6.806 -18.257 1.00 0.00 O ATOM 859 CB SER A 771 29.853 -6.051 -20.063 1.00 0.00 C ATOM 860 OG SER A 771 28.556 -5.480 -20.158 1.00 0.00 O ATOM 0 H SER A 771 29.661 -5.341 -17.655 1.00 0.00 H new ATOM 0 HA SER A 771 29.293 -7.853 -19.066 1.00 0.00 H new ATOM 0 HB2 SER A 771 30.594 -5.259 -19.956 1.00 0.00 H new ATOM 0 HB3 SER A 771 30.086 -6.583 -20.985 1.00 0.00 H new ATOM 0 HG SER A 771 28.523 -4.870 -20.924 1.00 0.00 H new ATOM 976 N PHE A 779 30.619 -10.599 -23.004 1.00 0.00 N ATOM 977 CA PHE A 779 29.275 -11.009 -22.629 1.00 0.00 C ATOM 978 C PHE A 779 28.872 -10.282 -21.356 1.00 0.00 C ATOM 979 O PHE A 779 29.580 -9.375 -20.921 1.00 0.00 O ATOM 980 CB PHE A 779 29.186 -12.533 -22.466 1.00 0.00 C ATOM 981 CG PHE A 779 29.982 -13.103 -21.325 1.00 0.00 C ATOM 982 CD1 PHE A 779 31.356 -13.258 -21.421 1.00 0.00 C ATOM 983 CD2 PHE A 779 29.348 -13.493 -20.155 1.00 0.00 C ATOM 984 CE1 PHE A 779 32.080 -13.791 -20.370 1.00 0.00 C ATOM 985 CE2 PHE A 779 30.066 -14.027 -19.106 1.00 0.00 C ATOM 986 CZ PHE A 779 31.433 -14.176 -19.213 1.00 0.00 C ATOM 0 HA PHE A 779 28.579 -10.740 -23.423 1.00 0.00 H new ATOM 0 HB2 PHE A 779 28.140 -12.807 -22.331 1.00 0.00 H new ATOM 0 HB3 PHE A 779 29.521 -13.001 -23.391 1.00 0.00 H new ATOM 0 HD1 PHE A 779 31.866 -12.960 -22.325 1.00 0.00 H new ATOM 0 HD2 PHE A 779 28.278 -13.377 -20.064 1.00 0.00 H new ATOM 0 HE1 PHE A 779 33.151 -13.906 -20.454 1.00 0.00 H new ATOM 0 HE2 PHE A 779 29.559 -14.328 -18.202 1.00 0.00 H new ATOM 0 HZ PHE A 779 31.997 -14.594 -18.392 1.00 0.00 H new ATOM 996 N ILE A 780 27.746 -10.647 -20.773 1.00 0.00 N ATOM 997 CA ILE A 780 27.270 -9.966 -19.579 1.00 0.00 C ATOM 998 C ILE A 780 26.957 -10.960 -18.463 1.00 0.00 C ATOM 999 O ILE A 780 26.298 -11.977 -18.681 1.00 0.00 O ATOM 1000 CB ILE A 780 26.041 -9.075 -19.886 1.00 0.00 C ATOM 1001 CG1 ILE A 780 25.497 -8.439 -18.604 1.00 0.00 C ATOM 1002 CG2 ILE A 780 24.953 -9.865 -20.596 1.00 0.00 C ATOM 1003 CD1 ILE A 780 24.329 -7.505 -18.840 1.00 0.00 C ATOM 0 H ILE A 780 27.147 -11.404 -21.101 1.00 0.00 H new ATOM 0 HA ILE A 780 28.073 -9.315 -19.234 1.00 0.00 H new ATOM 0 HB ILE A 780 26.367 -8.277 -20.554 1.00 0.00 H new ATOM 0 HG12 ILE A 780 25.188 -9.229 -17.919 1.00 0.00 H new ATOM 0 HG13 ILE A 780 26.299 -7.888 -18.113 1.00 0.00 H new ATOM 0 HG21 ILE A 780 24.103 -9.213 -20.798 1.00 0.00 H new ATOM 0 HG22 ILE A 780 25.342 -10.256 -21.536 1.00 0.00 H new ATOM 0 HG23 ILE A 780 24.633 -10.693 -19.963 1.00 0.00 H new ATOM 0 HD11 ILE A 780 23.996 -7.091 -17.888 1.00 0.00 H new ATOM 0 HD12 ILE A 780 24.639 -6.694 -19.499 1.00 0.00 H new ATOM 0 HD13 ILE A 780 23.510 -8.056 -19.303 1.00 0.00 H new ATOM 1015 N THR A 781 27.460 -10.664 -17.275 1.00 0.00 N ATOM 1016 CA THR A 781 27.282 -11.528 -16.124 1.00 0.00 C ATOM 1017 C THR A 781 26.417 -10.839 -15.072 1.00 0.00 C ATOM 1018 O THR A 781 26.769 -9.769 -14.567 1.00 0.00 O ATOM 1019 CB THR A 781 28.642 -11.888 -15.493 1.00 0.00 C ATOM 1020 OG1 THR A 781 29.563 -12.308 -16.510 1.00 0.00 O ATOM 1021 CG2 THR A 781 28.477 -12.994 -14.460 1.00 0.00 C ATOM 0 H THR A 781 28.001 -9.821 -17.084 1.00 0.00 H new ATOM 0 HA THR A 781 26.791 -12.439 -16.465 1.00 0.00 H new ATOM 0 HB THR A 781 29.036 -11.001 -14.997 1.00 0.00 H new ATOM 0 HG1 THR A 781 29.082 -12.815 -17.198 1.00 0.00 H new ATOM 0 HG21 THR A 781 29.448 -13.234 -14.026 1.00 0.00 H new ATOM 0 HG22 THR A 781 27.801 -12.659 -13.674 1.00 0.00 H new ATOM 0 HG23 THR A 781 28.065 -13.882 -14.940 1.00 0.00 H new ATOM 1029 N VAL A 782 25.281 -11.442 -14.759 1.00 0.00 N ATOM 1030 CA VAL A 782 24.400 -10.916 -13.728 1.00 0.00 C ATOM 1031 C VAL A 782 24.564 -11.716 -12.446 1.00 0.00 C ATOM 1032 O VAL A 782 24.367 -12.920 -12.437 1.00 0.00 O ATOM 1033 CB VAL A 782 22.923 -10.965 -14.168 1.00 0.00 C ATOM 1034 CG1 VAL A 782 22.016 -10.322 -13.128 1.00 0.00 C ATOM 1035 CG2 VAL A 782 22.752 -10.291 -15.516 1.00 0.00 C ATOM 0 H VAL A 782 24.947 -12.297 -15.204 1.00 0.00 H new ATOM 0 HA VAL A 782 24.676 -9.876 -13.557 1.00 0.00 H new ATOM 0 HB VAL A 782 22.633 -12.011 -14.261 1.00 0.00 H new ATOM 0 HG11 VAL A 782 20.981 -10.372 -13.467 1.00 0.00 H new ATOM 0 HG12 VAL A 782 22.114 -10.853 -12.181 1.00 0.00 H new ATOM 0 HG13 VAL A 782 22.303 -9.279 -12.990 1.00 0.00 H new ATOM 0 HG21 VAL A 782 21.704 -10.333 -15.814 1.00 0.00 H new ATOM 0 HG22 VAL A 782 23.067 -9.250 -15.445 1.00 0.00 H new ATOM 0 HG23 VAL A 782 23.361 -10.805 -16.260 1.00 0.00 H new ATOM 1045 N SER A 783 24.937 -11.058 -11.372 1.00 0.00 N ATOM 1046 CA SER A 783 25.139 -11.733 -10.106 1.00 0.00 C ATOM 1047 C SER A 783 24.038 -11.357 -9.125 1.00 0.00 C ATOM 1048 O SER A 783 23.619 -10.198 -9.061 1.00 0.00 O ATOM 1049 CB SER A 783 26.509 -11.371 -9.537 1.00 0.00 C ATOM 1050 OG SER A 783 27.503 -11.416 -10.546 1.00 0.00 O ATOM 0 H SER A 783 25.108 -10.053 -11.348 1.00 0.00 H new ATOM 0 HA SER A 783 25.100 -12.810 -10.269 1.00 0.00 H new ATOM 0 HB2 SER A 783 26.474 -10.373 -9.100 1.00 0.00 H new ATOM 0 HB3 SER A 783 26.768 -12.062 -8.734 1.00 0.00 H new ATOM 0 HG SER A 783 28.263 -11.949 -10.233 1.00 0.00 H new ATOM 1056 N LYS A 784 23.562 -12.343 -8.381 1.00 0.00 N ATOM 1057 CA LYS A 784 22.526 -12.121 -7.387 1.00 0.00 C ATOM 1058 C LYS A 784 23.051 -11.258 -6.247 1.00 0.00 C ATOM 1059 O LYS A 784 22.441 -10.255 -5.880 1.00 0.00 O ATOM 1060 CB LYS A 784 22.034 -13.459 -6.850 1.00 0.00 C ATOM 1061 CG LYS A 784 21.323 -14.307 -7.893 1.00 0.00 C ATOM 1062 CD LYS A 784 21.023 -15.709 -7.384 1.00 0.00 C ATOM 1063 CE LYS A 784 19.976 -15.704 -6.285 1.00 0.00 C ATOM 1064 NZ LYS A 784 19.688 -17.079 -5.797 1.00 0.00 N ATOM 0 H LYS A 784 23.880 -13.310 -8.448 1.00 0.00 H new ATOM 0 HA LYS A 784 21.695 -11.596 -7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 784 22.883 -14.018 -6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 784 21.356 -13.279 -6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 784 20.392 -13.820 -8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 784 21.940 -14.372 -8.789 1.00 0.00 H new ATOM 0 HD2 LYS A 784 20.677 -16.329 -8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 784 21.940 -16.162 -7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 784 20.322 -15.088 -5.455 1.00 0.00 H new ATOM 0 HE3 LYS A 784 19.058 -15.250 -6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 18.808 -17.074 -5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 19.582 -17.720 -6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 20.472 -17.406 -5.197 1.00 0.00 H new