USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=12 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 737 MET CE :methyl 154:sc= -2.77! (180deg=-1.25) USER MOD Set 1.2: A 765 HIS : no HD1:sc= -1.28 X(o=-4,f=-3.8) USER MOD Set 2.1: A 759 HIS : no HD1:sc= 0.323 K(o=-0.76,f=-9.3!) USER MOD Set 2.2: A 769 HIS : no HE2:sc= -1.08 K(o=-0.76,f=-8.5!) USER MOD Set 3.1: A 751 ASN : amide:sc= 1.42 K(o=1.4,f=-5.2!) USER MOD Set 3.2: A 753 HIS : no HD1:sc= 0 X(o=1.4,f=1.4) USER MOD Set 4.1: A 743 GLN : amide:sc= -0.0104 K(o=0.0052,f=-1.6) USER MOD Set 4.2: A 783 SER OG : rot 24:sc= 0.0156 USER MOD Single : A 728 HIS : no HD1:sc=-0.00299 X(o=-0.003,f=0) USER MOD Single : A 732 MET CE :methyl -156:sc= -0.117 (180deg=-0.532) USER MOD Single : A 739 SER OG : rot 180:sc= -0.137 USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.18) USER MOD Single : A 742 MET CE :methyl 138:sc= -0.0224 (180deg=-0.321) USER MOD Single : A 749 SER OG : rot 180:sc= 0.0389 USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 760 GLN : amide:sc= 0.959 K(o=0.96,f=-4.5!) USER MOD Single : A 771 SER OG : rot 180:sc= 0.00466 USER MOD Single : A 781 THR OG1 : rot 180:sc= 0 USER MOD Single : A 784 LYS NZ :NH3+ -145:sc= 0.447 (180deg=0.0809) USER MOD ----------------------------------------------------------------- ATOM 143 N HIS A 728 11.592 -11.089 -22.385 1.00 0.00 N ATOM 144 CA HIS A 728 12.441 -12.276 -22.494 1.00 0.00 C ATOM 145 C HIS A 728 13.469 -12.336 -21.371 1.00 0.00 C ATOM 146 O HIS A 728 13.510 -13.300 -20.605 1.00 0.00 O ATOM 147 CB HIS A 728 13.164 -12.297 -23.846 1.00 0.00 C ATOM 148 CG HIS A 728 13.782 -13.620 -24.184 1.00 0.00 C ATOM 149 ND1 HIS A 728 13.194 -14.555 -25.005 1.00 0.00 N ATOM 150 CD2 HIS A 728 14.968 -14.159 -23.797 1.00 0.00 C ATOM 151 CE1 HIS A 728 14.016 -15.607 -25.090 1.00 0.00 C ATOM 152 NE2 HIS A 728 15.110 -15.418 -24.374 1.00 0.00 N ATOM 0 HA HIS A 728 11.791 -13.147 -22.413 1.00 0.00 H new ATOM 0 HB2 HIS A 728 12.456 -12.027 -24.630 1.00 0.00 H new ATOM 0 HB3 HIS A 728 13.942 -11.534 -23.843 1.00 0.00 H new ATOM 0 HD2 HIS A 728 15.687 -13.685 -23.145 1.00 0.00 H new ATOM 0 HE1 HIS A 728 13.812 -16.496 -25.669 1.00 0.00 H new ATOM 0 HE2 HIS A 728 15.895 -16.060 -24.266 1.00 0.00 H new ATOM 160 N PHE A 729 14.289 -11.302 -21.267 1.00 0.00 N ATOM 161 CA PHE A 729 15.372 -11.300 -20.298 1.00 0.00 C ATOM 162 C PHE A 729 14.834 -11.131 -18.881 1.00 0.00 C ATOM 163 O PHE A 729 15.486 -11.520 -17.913 1.00 0.00 O ATOM 164 CB PHE A 729 16.404 -10.220 -20.638 1.00 0.00 C ATOM 165 CG PHE A 729 17.231 -10.552 -21.855 1.00 0.00 C ATOM 166 CD1 PHE A 729 17.957 -11.733 -21.904 1.00 0.00 C ATOM 167 CD2 PHE A 729 17.291 -9.690 -22.942 1.00 0.00 C ATOM 168 CE1 PHE A 729 18.724 -12.047 -23.012 1.00 0.00 C ATOM 169 CE2 PHE A 729 18.060 -10.004 -24.051 1.00 0.00 C ATOM 170 CZ PHE A 729 18.773 -11.182 -24.083 1.00 0.00 C ATOM 0 H PHE A 729 14.226 -10.459 -21.838 1.00 0.00 H new ATOM 0 HA PHE A 729 15.875 -12.266 -20.346 1.00 0.00 H new ATOM 0 HB2 PHE A 729 15.889 -9.274 -20.803 1.00 0.00 H new ATOM 0 HB3 PHE A 729 17.066 -10.078 -19.784 1.00 0.00 H new ATOM 0 HD1 PHE A 729 17.923 -12.415 -21.068 1.00 0.00 H new ATOM 0 HD2 PHE A 729 16.733 -8.766 -22.923 1.00 0.00 H new ATOM 0 HE1 PHE A 729 19.284 -12.970 -23.037 1.00 0.00 H new ATOM 0 HE2 PHE A 729 18.100 -9.325 -24.890 1.00 0.00 H new ATOM 0 HZ PHE A 729 19.371 -11.428 -24.948 1.00 0.00 H new ATOM 180 N ARG A 730 13.638 -10.567 -18.770 1.00 0.00 N ATOM 181 CA ARG A 730 12.941 -10.489 -17.493 1.00 0.00 C ATOM 182 C ARG A 730 12.691 -11.891 -16.961 1.00 0.00 C ATOM 183 O ARG A 730 12.989 -12.190 -15.809 1.00 0.00 O ATOM 184 CB ARG A 730 11.602 -9.784 -17.668 1.00 0.00 C ATOM 185 CG ARG A 730 11.107 -9.065 -16.428 1.00 0.00 C ATOM 186 CD ARG A 730 11.862 -7.764 -16.225 1.00 0.00 C ATOM 187 NE ARG A 730 11.895 -6.977 -17.460 1.00 0.00 N ATOM 188 CZ ARG A 730 11.542 -5.696 -17.548 1.00 0.00 C ATOM 189 NH1 ARG A 730 11.180 -5.024 -16.463 1.00 0.00 N ATOM 190 NH2 ARG A 730 11.562 -5.086 -18.723 1.00 0.00 N ATOM 0 H ARG A 730 13.129 -10.155 -19.552 1.00 0.00 H new ATOM 0 HA ARG A 730 13.559 -9.928 -16.792 1.00 0.00 H new ATOM 0 HB2 ARG A 730 11.688 -9.063 -18.481 1.00 0.00 H new ATOM 0 HB3 ARG A 730 10.855 -10.518 -17.970 1.00 0.00 H new ATOM 0 HG2 ARG A 730 10.040 -8.861 -16.521 1.00 0.00 H new ATOM 0 HG3 ARG A 730 11.234 -9.705 -15.555 1.00 0.00 H new ATOM 0 HD2 ARG A 730 11.388 -7.184 -15.433 1.00 0.00 H new ATOM 0 HD3 ARG A 730 12.880 -7.977 -15.898 1.00 0.00 H new ATOM 0 HE ARG A 730 12.210 -7.442 -18.311 1.00 0.00 H new ATOM 0 HH11 ARG A 730 11.171 -5.488 -15.555 1.00 0.00 H new ATOM 0 HH12 ARG A 730 10.911 -4.043 -16.537 1.00 0.00 H new ATOM 0 HH21 ARG A 730 11.847 -5.597 -19.558 1.00 0.00 H new ATOM 0 HH22 ARG A 730 11.292 -4.105 -18.793 1.00 0.00 H new ATOM 204 N ALA A 731 12.144 -12.745 -17.821 1.00 0.00 N ATOM 205 CA ALA A 731 11.876 -14.131 -17.463 1.00 0.00 C ATOM 206 C ALA A 731 13.167 -14.842 -17.072 1.00 0.00 C ATOM 207 O ALA A 731 13.229 -15.527 -16.054 1.00 0.00 O ATOM 208 CB ALA A 731 11.196 -14.856 -18.616 1.00 0.00 C ATOM 0 H ALA A 731 11.877 -12.499 -18.774 1.00 0.00 H new ATOM 0 HA ALA A 731 11.205 -14.142 -16.604 1.00 0.00 H new ATOM 0 HB1 ALA A 731 11.003 -15.890 -18.332 1.00 0.00 H new ATOM 0 HB2 ALA A 731 10.253 -14.362 -18.851 1.00 0.00 H new ATOM 0 HB3 ALA A 731 11.845 -14.835 -19.492 1.00 0.00 H new ATOM 214 N MET A 732 14.197 -14.647 -17.884 1.00 0.00 N ATOM 215 CA MET A 732 15.511 -15.225 -17.630 1.00 0.00 C ATOM 216 C MET A 732 16.025 -14.830 -16.247 1.00 0.00 C ATOM 217 O MET A 732 16.525 -15.666 -15.496 1.00 0.00 O ATOM 218 CB MET A 732 16.488 -14.751 -18.707 1.00 0.00 C ATOM 219 CG MET A 732 16.048 -15.111 -20.115 1.00 0.00 C ATOM 220 SD MET A 732 16.666 -16.712 -20.661 1.00 0.00 S ATOM 221 CE MET A 732 18.408 -16.337 -20.837 1.00 0.00 C ATOM 0 H MET A 732 14.147 -14.086 -18.734 1.00 0.00 H new ATOM 0 HA MET A 732 15.428 -16.311 -17.660 1.00 0.00 H new ATOM 0 HB2 MET A 732 16.602 -13.669 -18.634 1.00 0.00 H new ATOM 0 HB3 MET A 732 17.468 -15.188 -18.517 1.00 0.00 H new ATOM 0 HG2 MET A 732 14.959 -15.114 -20.159 1.00 0.00 H new ATOM 0 HG3 MET A 732 16.393 -14.341 -20.805 1.00 0.00 H new ATOM 0 HE1 MET A 732 18.861 -17.033 -21.543 1.00 0.00 H new ATOM 0 HE2 MET A 732 18.525 -15.318 -21.206 1.00 0.00 H new ATOM 0 HE3 MET A 732 18.900 -16.431 -19.869 1.00 0.00 H new ATOM 231 N ILE A 733 15.874 -13.556 -15.908 1.00 0.00 N ATOM 232 CA ILE A 733 16.377 -13.029 -14.648 1.00 0.00 C ATOM 233 C ILE A 733 15.476 -13.408 -13.466 1.00 0.00 C ATOM 234 O ILE A 733 15.971 -13.726 -12.383 1.00 0.00 O ATOM 235 CB ILE A 733 16.557 -11.494 -14.732 1.00 0.00 C ATOM 236 CG1 ILE A 733 17.736 -11.165 -15.656 1.00 0.00 C ATOM 237 CG2 ILE A 733 16.767 -10.881 -13.354 1.00 0.00 C ATOM 238 CD1 ILE A 733 17.976 -9.683 -15.851 1.00 0.00 C ATOM 0 H ILE A 733 15.404 -12.865 -16.493 1.00 0.00 H new ATOM 0 HA ILE A 733 17.351 -13.485 -14.470 1.00 0.00 H new ATOM 0 HB ILE A 733 15.645 -11.062 -15.144 1.00 0.00 H new ATOM 0 HG12 ILE A 733 18.640 -11.618 -15.248 1.00 0.00 H new ATOM 0 HG13 ILE A 733 17.560 -11.624 -16.629 1.00 0.00 H new ATOM 0 HG21 ILE A 733 16.890 -9.802 -13.451 1.00 0.00 H new ATOM 0 HG22 ILE A 733 15.902 -11.093 -12.726 1.00 0.00 H new ATOM 0 HG23 ILE A 733 17.660 -11.308 -12.898 1.00 0.00 H new ATOM 0 HD11 ILE A 733 18.826 -9.537 -16.517 1.00 0.00 H new ATOM 0 HD12 ILE A 733 17.089 -9.225 -16.289 1.00 0.00 H new ATOM 0 HD13 ILE A 733 18.186 -9.218 -14.887 1.00 0.00 H new ATOM 250 N VAL A 734 14.162 -13.405 -13.667 1.00 0.00 N ATOM 251 CA VAL A 734 13.241 -13.728 -12.581 1.00 0.00 C ATOM 252 C VAL A 734 13.365 -15.202 -12.188 1.00 0.00 C ATOM 253 O VAL A 734 13.291 -15.544 -11.007 1.00 0.00 O ATOM 254 CB VAL A 734 11.770 -13.373 -12.926 1.00 0.00 C ATOM 255 CG1 VAL A 734 11.195 -14.305 -13.980 1.00 0.00 C ATOM 256 CG2 VAL A 734 10.907 -13.384 -11.674 1.00 0.00 C ATOM 0 H VAL A 734 13.715 -13.186 -14.557 1.00 0.00 H new ATOM 0 HA VAL A 734 13.525 -13.111 -11.728 1.00 0.00 H new ATOM 0 HB VAL A 734 11.768 -12.366 -13.344 1.00 0.00 H new ATOM 0 HG11 VAL A 734 10.164 -14.022 -14.192 1.00 0.00 H new ATOM 0 HG12 VAL A 734 11.787 -14.232 -14.892 1.00 0.00 H new ATOM 0 HG13 VAL A 734 11.221 -15.331 -13.612 1.00 0.00 H new ATOM 0 HG21 VAL A 734 9.880 -13.133 -11.938 1.00 0.00 H new ATOM 0 HG22 VAL A 734 10.933 -14.376 -11.223 1.00 0.00 H new ATOM 0 HG23 VAL A 734 11.288 -12.651 -10.963 1.00 0.00 H new ATOM 266 N GLU A 735 13.585 -16.070 -13.176 1.00 0.00 N ATOM 267 CA GLU A 735 13.815 -17.486 -12.904 1.00 0.00 C ATOM 268 C GLU A 735 15.206 -17.679 -12.316 1.00 0.00 C ATOM 269 O GLU A 735 15.433 -18.568 -11.501 1.00 0.00 O ATOM 270 CB GLU A 735 13.660 -18.321 -14.175 1.00 0.00 C ATOM 271 CG GLU A 735 12.277 -18.229 -14.796 1.00 0.00 C ATOM 272 CD GLU A 735 12.084 -19.212 -15.931 1.00 0.00 C ATOM 273 OE1 GLU A 735 12.658 -18.999 -17.020 1.00 0.00 O ATOM 274 OE2 GLU A 735 11.356 -20.208 -15.735 1.00 0.00 O ATOM 0 H GLU A 735 13.608 -15.818 -14.164 1.00 0.00 H new ATOM 0 HA GLU A 735 13.069 -17.824 -12.185 1.00 0.00 H new ATOM 0 HB2 GLU A 735 14.400 -17.996 -14.906 1.00 0.00 H new ATOM 0 HB3 GLU A 735 13.877 -19.364 -13.944 1.00 0.00 H new ATOM 0 HG2 GLU A 735 11.525 -18.413 -14.029 1.00 0.00 H new ATOM 0 HG3 GLU A 735 12.115 -17.216 -15.165 1.00 0.00 H new ATOM 281 N PHE A 736 16.128 -16.825 -12.733 1.00 0.00 N ATOM 282 CA PHE A 736 17.478 -16.815 -12.190 1.00 0.00 C ATOM 283 C PHE A 736 17.463 -16.461 -10.702 1.00 0.00 C ATOM 284 O PHE A 736 18.182 -17.063 -9.901 1.00 0.00 O ATOM 285 CB PHE A 736 18.329 -15.823 -12.981 1.00 0.00 C ATOM 286 CG PHE A 736 19.581 -15.388 -12.286 1.00 0.00 C ATOM 287 CD1 PHE A 736 20.618 -16.277 -12.066 1.00 0.00 C ATOM 288 CD2 PHE A 736 19.719 -14.079 -11.859 1.00 0.00 C ATOM 289 CE1 PHE A 736 21.772 -15.867 -11.429 1.00 0.00 C ATOM 290 CE2 PHE A 736 20.867 -13.661 -11.223 1.00 0.00 C ATOM 291 CZ PHE A 736 21.893 -14.555 -11.006 1.00 0.00 C ATOM 0 H PHE A 736 15.963 -16.122 -13.454 1.00 0.00 H new ATOM 0 HA PHE A 736 17.912 -17.811 -12.283 1.00 0.00 H new ATOM 0 HB2 PHE A 736 18.597 -16.274 -13.936 1.00 0.00 H new ATOM 0 HB3 PHE A 736 17.726 -14.942 -13.202 1.00 0.00 H new ATOM 0 HD1 PHE A 736 20.524 -17.301 -12.396 1.00 0.00 H new ATOM 0 HD2 PHE A 736 18.916 -13.376 -12.027 1.00 0.00 H new ATOM 0 HE1 PHE A 736 22.577 -16.567 -11.261 1.00 0.00 H new ATOM 0 HE2 PHE A 736 20.963 -12.636 -10.896 1.00 0.00 H new ATOM 0 HZ PHE A 736 22.793 -14.231 -10.505 1.00 0.00 H new ATOM 301 N MET A 737 16.628 -15.498 -10.327 1.00 0.00 N ATOM 302 CA MET A 737 16.485 -15.117 -8.924 1.00 0.00 C ATOM 303 C MET A 737 15.720 -16.183 -8.148 1.00 0.00 C ATOM 304 O MET A 737 15.595 -16.110 -6.925 1.00 0.00 O ATOM 305 CB MET A 737 15.788 -13.764 -8.791 1.00 0.00 C ATOM 306 CG MET A 737 16.634 -12.600 -9.278 1.00 0.00 C ATOM 307 SD MET A 737 15.853 -11.001 -8.999 1.00 0.00 S ATOM 308 CE MET A 737 14.384 -11.165 -10.005 1.00 0.00 C ATOM 0 H MET A 737 16.041 -14.968 -10.971 1.00 0.00 H new ATOM 0 HA MET A 737 17.486 -15.030 -8.500 1.00 0.00 H new ATOM 0 HB2 MET A 737 14.855 -13.787 -9.355 1.00 0.00 H new ATOM 0 HB3 MET A 737 15.525 -13.600 -7.746 1.00 0.00 H new ATOM 0 HG2 MET A 737 17.598 -12.621 -8.771 1.00 0.00 H new ATOM 0 HG3 MET A 737 16.831 -12.721 -10.343 1.00 0.00 H new ATOM 0 HE1 MET A 737 13.600 -10.518 -9.612 1.00 0.00 H new ATOM 0 HE2 MET A 737 14.612 -10.877 -11.031 1.00 0.00 H new ATOM 0 HE3 MET A 737 14.043 -12.200 -9.986 1.00 0.00 H new ATOM 318 N ALA A 738 15.204 -17.168 -8.868 1.00 0.00 N ATOM 319 CA ALA A 738 14.560 -18.315 -8.251 1.00 0.00 C ATOM 320 C ALA A 738 15.496 -19.519 -8.292 1.00 0.00 C ATOM 321 O ALA A 738 15.154 -20.605 -7.821 1.00 0.00 O ATOM 322 CB ALA A 738 13.246 -18.631 -8.951 1.00 0.00 C ATOM 0 H ALA A 738 15.220 -17.194 -9.888 1.00 0.00 H new ATOM 0 HA ALA A 738 14.339 -18.078 -7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 738 12.778 -19.493 -8.475 1.00 0.00 H new ATOM 0 HB2 ALA A 738 12.580 -17.771 -8.880 1.00 0.00 H new ATOM 0 HB3 ALA A 738 13.438 -18.856 -10.000 1.00 0.00 H new ATOM 328 N SER A 739 16.680 -19.308 -8.850 1.00 0.00 N ATOM 329 CA SER A 739 17.666 -20.365 -8.999 1.00 0.00 C ATOM 330 C SER A 739 18.757 -20.226 -7.936 1.00 0.00 C ATOM 331 O SER A 739 18.837 -19.209 -7.239 1.00 0.00 O ATOM 332 CB SER A 739 18.279 -20.316 -10.404 1.00 0.00 C ATOM 333 OG SER A 739 19.182 -21.391 -10.616 1.00 0.00 O ATOM 0 H SER A 739 16.982 -18.403 -9.210 1.00 0.00 H new ATOM 0 HA SER A 739 17.174 -21.328 -8.865 1.00 0.00 H new ATOM 0 HB2 SER A 739 17.485 -20.354 -11.150 1.00 0.00 H new ATOM 0 HB3 SER A 739 18.801 -19.369 -10.542 1.00 0.00 H new ATOM 0 HG SER A 739 19.554 -21.332 -11.521 1.00 0.00 H new ATOM 339 N LYS A 740 19.599 -21.246 -7.831 1.00 0.00 N ATOM 340 CA LYS A 740 20.647 -21.283 -6.823 1.00 0.00 C ATOM 341 C LYS A 740 21.942 -20.673 -7.355 1.00 0.00 C ATOM 342 O LYS A 740 22.907 -20.512 -6.612 1.00 0.00 O ATOM 343 CB LYS A 740 20.890 -22.726 -6.374 1.00 0.00 C ATOM 344 CG LYS A 740 21.341 -23.651 -7.496 1.00 0.00 C ATOM 345 CD LYS A 740 20.467 -24.894 -7.587 1.00 0.00 C ATOM 346 CE LYS A 740 20.543 -25.741 -6.323 1.00 0.00 C ATOM 347 NZ LYS A 740 19.669 -26.940 -6.409 1.00 0.00 N ATOM 0 H LYS A 740 19.574 -22.065 -8.438 1.00 0.00 H new ATOM 0 HA LYS A 740 20.320 -20.691 -5.968 1.00 0.00 H new ATOM 0 HB2 LYS A 740 21.644 -22.730 -5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 740 19.972 -23.120 -5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 740 21.310 -23.114 -8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 740 22.377 -23.946 -7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 740 19.433 -24.598 -7.763 1.00 0.00 H new ATOM 0 HD3 LYS A 740 20.777 -25.493 -8.443 1.00 0.00 H new ATOM 0 HE2 LYS A 740 21.574 -26.054 -6.156 1.00 0.00 H new ATOM 0 HE3 LYS A 740 20.250 -25.138 -5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 19.748 -27.491 -5.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 18.682 -26.641 -6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 19.965 -27.528 -7.214 1.00 0.00 H new ATOM 361 N LYS A 741 21.959 -20.343 -8.644 1.00 0.00 N ATOM 362 CA LYS A 741 23.124 -19.706 -9.253 1.00 0.00 C ATOM 363 C LYS A 741 23.360 -18.334 -8.647 1.00 0.00 C ATOM 364 O LYS A 741 22.458 -17.499 -8.617 1.00 0.00 O ATOM 365 CB LYS A 741 22.947 -19.564 -10.770 1.00 0.00 C ATOM 366 CG LYS A 741 23.081 -20.871 -11.536 1.00 0.00 C ATOM 367 CD LYS A 741 22.747 -20.694 -13.012 1.00 0.00 C ATOM 368 CE LYS A 741 23.638 -19.659 -13.693 1.00 0.00 C ATOM 369 NZ LYS A 741 25.076 -20.032 -13.672 1.00 0.00 N ATOM 0 H LYS A 741 21.182 -20.505 -9.285 1.00 0.00 H new ATOM 0 HA LYS A 741 23.986 -20.343 -9.056 1.00 0.00 H new ATOM 0 HB2 LYS A 741 21.965 -19.136 -10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 741 23.686 -18.857 -11.147 1.00 0.00 H new ATOM 0 HG2 LYS A 741 24.098 -21.249 -11.436 1.00 0.00 H new ATOM 0 HG3 LYS A 741 22.418 -21.618 -11.100 1.00 0.00 H new ATOM 0 HD2 LYS A 741 22.852 -21.651 -13.522 1.00 0.00 H new ATOM 0 HD3 LYS A 741 21.704 -20.393 -13.112 1.00 0.00 H new ATOM 0 HE2 LYS A 741 23.315 -19.533 -14.727 1.00 0.00 H new ATOM 0 HE3 LYS A 741 23.510 -18.696 -13.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 741 25.592 -19.467 -14.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 741 25.468 -19.849 -12.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 741 25.176 -21.042 -13.898 1.00 0.00 H new ATOM 383 N MET A 742 24.573 -18.111 -8.164 1.00 0.00 N ATOM 384 CA MET A 742 24.947 -16.815 -7.615 1.00 0.00 C ATOM 385 C MET A 742 24.992 -15.766 -8.714 1.00 0.00 C ATOM 386 O MET A 742 24.724 -14.592 -8.471 1.00 0.00 O ATOM 387 CB MET A 742 26.298 -16.891 -6.898 1.00 0.00 C ATOM 388 CG MET A 742 26.200 -17.294 -5.432 1.00 0.00 C ATOM 389 SD MET A 742 25.444 -18.916 -5.176 1.00 0.00 S ATOM 390 CE MET A 742 26.662 -19.993 -5.935 1.00 0.00 C ATOM 0 H MET A 742 25.315 -18.810 -8.141 1.00 0.00 H new ATOM 0 HA MET A 742 24.190 -16.527 -6.885 1.00 0.00 H new ATOM 0 HB2 MET A 742 26.934 -17.606 -7.419 1.00 0.00 H new ATOM 0 HB3 MET A 742 26.788 -15.920 -6.965 1.00 0.00 H new ATOM 0 HG2 MET A 742 27.199 -17.295 -4.997 1.00 0.00 H new ATOM 0 HG3 MET A 742 25.620 -16.543 -4.896 1.00 0.00 H new ATOM 0 HE1 MET A 742 26.806 -20.875 -5.312 1.00 0.00 H new ATOM 0 HE2 MET A 742 26.313 -20.299 -6.921 1.00 0.00 H new ATOM 0 HE3 MET A 742 27.608 -19.460 -6.034 1.00 0.00 H new ATOM 400 N GLN A 743 25.318 -16.194 -9.927 1.00 0.00 N ATOM 401 CA GLN A 743 25.324 -15.297 -11.067 1.00 0.00 C ATOM 402 C GLN A 743 24.977 -16.033 -12.354 1.00 0.00 C ATOM 403 O GLN A 743 25.150 -17.247 -12.454 1.00 0.00 O ATOM 404 CB GLN A 743 26.664 -14.575 -11.189 1.00 0.00 C ATOM 405 CG GLN A 743 27.869 -15.484 -11.296 1.00 0.00 C ATOM 406 CD GLN A 743 29.162 -14.697 -11.299 1.00 0.00 C ATOM 407 OE1 GLN A 743 29.258 -13.628 -10.692 1.00 0.00 O ATOM 408 NE2 GLN A 743 30.160 -15.203 -11.992 1.00 0.00 N ATOM 0 H GLN A 743 25.581 -17.156 -10.143 1.00 0.00 H new ATOM 0 HA GLN A 743 24.552 -14.545 -10.901 1.00 0.00 H new ATOM 0 HB2 GLN A 743 26.634 -13.930 -12.067 1.00 0.00 H new ATOM 0 HB3 GLN A 743 26.792 -13.927 -10.322 1.00 0.00 H new ATOM 0 HG2 GLN A 743 27.871 -16.186 -10.462 1.00 0.00 H new ATOM 0 HG3 GLN A 743 27.800 -16.075 -12.209 1.00 0.00 H new ATOM 0 HE21 GLN A 743 30.043 -16.090 -12.481 1.00 0.00 H new ATOM 0 HE22 GLN A 743 31.050 -14.708 -12.040 1.00 0.00 H new ATOM 417 N LEU A 744 24.458 -15.289 -13.321 1.00 0.00 N ATOM 418 CA LEU A 744 24.010 -15.846 -14.587 1.00 0.00 C ATOM 419 C LEU A 744 24.865 -15.315 -15.729 1.00 0.00 C ATOM 420 O LEU A 744 24.829 -14.124 -16.046 1.00 0.00 O ATOM 421 CB LEU A 744 22.536 -15.492 -14.819 1.00 0.00 C ATOM 422 CG LEU A 744 21.931 -15.952 -16.152 1.00 0.00 C ATOM 423 CD1 LEU A 744 21.937 -17.468 -16.273 1.00 0.00 C ATOM 424 CD2 LEU A 744 20.512 -15.423 -16.290 1.00 0.00 C ATOM 0 H LEU A 744 24.336 -14.279 -13.248 1.00 0.00 H new ATOM 0 HA LEU A 744 24.113 -16.931 -14.552 1.00 0.00 H new ATOM 0 HB2 LEU A 744 21.948 -15.924 -14.009 1.00 0.00 H new ATOM 0 HB3 LEU A 744 22.428 -14.410 -14.749 1.00 0.00 H new ATOM 0 HG LEU A 744 22.547 -15.550 -16.956 1.00 0.00 H new ATOM 0 HD11 LEU A 744 21.501 -17.758 -17.229 1.00 0.00 H new ATOM 0 HD12 LEU A 744 22.962 -17.834 -16.215 1.00 0.00 H new ATOM 0 HD13 LEU A 744 21.352 -17.900 -15.461 1.00 0.00 H new ATOM 0 HD21 LEU A 744 20.091 -15.755 -17.239 1.00 0.00 H new ATOM 0 HD22 LEU A 744 19.901 -15.801 -15.470 1.00 0.00 H new ATOM 0 HD23 LEU A 744 20.525 -14.333 -16.260 1.00 0.00 H new ATOM 436 N GLU A 745 25.654 -16.197 -16.314 1.00 0.00 N ATOM 437 CA GLU A 745 26.510 -15.841 -17.436 1.00 0.00 C ATOM 438 C GLU A 745 25.719 -15.875 -18.741 1.00 0.00 C ATOM 439 O GLU A 745 25.396 -16.949 -19.249 1.00 0.00 O ATOM 440 CB GLU A 745 27.709 -16.794 -17.547 1.00 0.00 C ATOM 441 CG GLU A 745 28.337 -17.175 -16.212 1.00 0.00 C ATOM 442 CD GLU A 745 27.677 -18.389 -15.578 1.00 0.00 C ATOM 443 OE1 GLU A 745 28.119 -19.523 -15.855 1.00 0.00 O ATOM 444 OE2 GLU A 745 26.721 -18.218 -14.793 1.00 0.00 O ATOM 0 H GLU A 745 25.721 -17.174 -16.029 1.00 0.00 H new ATOM 0 HA GLU A 745 26.880 -14.831 -17.258 1.00 0.00 H new ATOM 0 HB2 GLU A 745 27.389 -17.703 -18.057 1.00 0.00 H new ATOM 0 HB3 GLU A 745 28.470 -16.329 -18.173 1.00 0.00 H new ATOM 0 HG2 GLU A 745 29.398 -17.379 -16.359 1.00 0.00 H new ATOM 0 HG3 GLU A 745 28.267 -16.330 -15.528 1.00 0.00 H new ATOM 451 N PHE A 746 25.400 -14.704 -19.272 1.00 0.00 N ATOM 452 CA PHE A 746 24.718 -14.610 -20.554 1.00 0.00 C ATOM 453 C PHE A 746 25.716 -14.809 -21.690 1.00 0.00 C ATOM 454 O PHE A 746 26.910 -14.572 -21.517 1.00 0.00 O ATOM 455 CB PHE A 746 24.033 -13.251 -20.710 1.00 0.00 C ATOM 456 CG PHE A 746 22.789 -13.089 -19.886 1.00 0.00 C ATOM 457 CD1 PHE A 746 22.858 -12.625 -18.584 1.00 0.00 C ATOM 458 CD2 PHE A 746 21.546 -13.387 -20.422 1.00 0.00 C ATOM 459 CE1 PHE A 746 21.711 -12.461 -17.832 1.00 0.00 C ATOM 460 CE2 PHE A 746 20.396 -13.228 -19.673 1.00 0.00 C ATOM 461 CZ PHE A 746 20.478 -12.762 -18.378 1.00 0.00 C ATOM 0 H PHE A 746 25.603 -13.805 -18.835 1.00 0.00 H new ATOM 0 HA PHE A 746 23.958 -15.390 -20.592 1.00 0.00 H new ATOM 0 HB2 PHE A 746 24.740 -12.467 -20.438 1.00 0.00 H new ATOM 0 HB3 PHE A 746 23.781 -13.102 -21.760 1.00 0.00 H new ATOM 0 HD1 PHE A 746 23.819 -12.389 -18.151 1.00 0.00 H new ATOM 0 HD2 PHE A 746 21.476 -13.748 -21.437 1.00 0.00 H new ATOM 0 HE1 PHE A 746 21.778 -12.097 -16.817 1.00 0.00 H new ATOM 0 HE2 PHE A 746 19.434 -13.468 -20.101 1.00 0.00 H new ATOM 0 HZ PHE A 746 19.580 -12.633 -17.792 1.00 0.00 H new ATOM 471 N PRO A 747 25.246 -15.262 -22.857 1.00 0.00 N ATOM 472 CA PRO A 747 26.103 -15.456 -24.026 1.00 0.00 C ATOM 473 C PRO A 747 26.453 -14.132 -24.715 1.00 0.00 C ATOM 474 O PRO A 747 25.731 -13.144 -24.583 1.00 0.00 O ATOM 475 CB PRO A 747 25.257 -16.343 -24.939 1.00 0.00 C ATOM 476 CG PRO A 747 23.844 -16.040 -24.577 1.00 0.00 C ATOM 477 CD PRO A 747 23.843 -15.631 -23.127 1.00 0.00 C ATOM 0 HA PRO A 747 27.066 -15.895 -23.765 1.00 0.00 H new ATOM 0 HB2 PRO A 747 25.450 -16.125 -25.989 1.00 0.00 H new ATOM 0 HB3 PRO A 747 25.485 -17.398 -24.785 1.00 0.00 H new ATOM 0 HG2 PRO A 747 23.447 -15.241 -25.204 1.00 0.00 H new ATOM 0 HG3 PRO A 747 23.210 -16.913 -24.733 1.00 0.00 H new ATOM 0 HD2 PRO A 747 23.169 -14.793 -22.950 1.00 0.00 H new ATOM 0 HD3 PRO A 747 23.514 -16.446 -22.483 1.00 0.00 H new ATOM 485 N PRO A 748 27.572 -14.098 -25.460 1.00 0.00 N ATOM 486 CA PRO A 748 28.027 -12.889 -26.168 1.00 0.00 C ATOM 487 C PRO A 748 27.119 -12.496 -27.334 1.00 0.00 C ATOM 488 O PRO A 748 27.314 -11.454 -27.962 1.00 0.00 O ATOM 489 CB PRO A 748 29.405 -13.279 -26.700 1.00 0.00 C ATOM 490 CG PRO A 748 29.389 -14.766 -26.771 1.00 0.00 C ATOM 491 CD PRO A 748 28.500 -15.228 -25.650 1.00 0.00 C ATOM 0 HA PRO A 748 28.028 -12.025 -25.503 1.00 0.00 H new ATOM 0 HB2 PRO A 748 29.587 -12.840 -27.681 1.00 0.00 H new ATOM 0 HB3 PRO A 748 30.197 -12.925 -26.040 1.00 0.00 H new ATOM 0 HG2 PRO A 748 29.010 -15.106 -27.735 1.00 0.00 H new ATOM 0 HG3 PRO A 748 30.395 -15.172 -26.663 1.00 0.00 H new ATOM 0 HD2 PRO A 748 27.969 -16.144 -25.910 1.00 0.00 H new ATOM 0 HD3 PRO A 748 29.070 -15.436 -24.745 1.00 0.00 H new ATOM 499 N SER A 749 26.132 -13.335 -27.610 1.00 0.00 N ATOM 500 CA SER A 749 25.196 -13.116 -28.706 1.00 0.00 C ATOM 501 C SER A 749 24.267 -11.929 -28.434 1.00 0.00 C ATOM 502 O SER A 749 23.620 -11.412 -29.349 1.00 0.00 O ATOM 503 CB SER A 749 24.386 -14.391 -28.929 1.00 0.00 C ATOM 504 OG SER A 749 24.001 -14.962 -27.690 1.00 0.00 O ATOM 0 H SER A 749 25.956 -14.189 -27.080 1.00 0.00 H new ATOM 0 HA SER A 749 25.764 -12.875 -29.605 1.00 0.00 H new ATOM 0 HB2 SER A 749 23.500 -14.166 -29.523 1.00 0.00 H new ATOM 0 HB3 SER A 749 24.977 -15.109 -29.498 1.00 0.00 H new ATOM 0 HG SER A 749 23.482 -15.777 -27.853 1.00 0.00 H new ATOM 510 N LEU A 750 24.195 -11.518 -27.173 1.00 0.00 N ATOM 511 CA LEU A 750 23.417 -10.347 -26.781 1.00 0.00 C ATOM 512 C LEU A 750 23.989 -9.088 -27.430 1.00 0.00 C ATOM 513 O LEU A 750 25.140 -8.724 -27.178 1.00 0.00 O ATOM 514 CB LEU A 750 23.424 -10.181 -25.256 1.00 0.00 C ATOM 515 CG LEU A 750 22.405 -11.026 -24.486 1.00 0.00 C ATOM 516 CD1 LEU A 750 22.687 -12.511 -24.635 1.00 0.00 C ATOM 517 CD2 LEU A 750 22.404 -10.628 -23.020 1.00 0.00 C ATOM 0 H LEU A 750 24.670 -11.982 -26.399 1.00 0.00 H new ATOM 0 HA LEU A 750 22.391 -10.493 -27.119 1.00 0.00 H new ATOM 0 HB2 LEU A 750 24.421 -10.424 -24.888 1.00 0.00 H new ATOM 0 HB3 LEU A 750 23.246 -9.131 -25.023 1.00 0.00 H new ATOM 0 HG LEU A 750 21.418 -10.836 -24.909 1.00 0.00 H new ATOM 0 HD11 LEU A 750 21.945 -13.080 -24.076 1.00 0.00 H new ATOM 0 HD12 LEU A 750 22.638 -12.787 -25.688 1.00 0.00 H new ATOM 0 HD13 LEU A 750 23.681 -12.733 -24.248 1.00 0.00 H new ATOM 0 HD21 LEU A 750 21.677 -11.233 -22.479 1.00 0.00 H new ATOM 0 HD22 LEU A 750 23.396 -10.790 -22.598 1.00 0.00 H new ATOM 0 HD23 LEU A 750 22.139 -9.575 -22.929 1.00 0.00 H new ATOM 529 N ASN A 751 23.191 -8.429 -28.264 1.00 0.00 N ATOM 530 CA ASN A 751 23.635 -7.200 -28.917 1.00 0.00 C ATOM 531 C ASN A 751 23.532 -6.035 -27.934 1.00 0.00 C ATOM 532 O ASN A 751 23.174 -6.239 -26.771 1.00 0.00 O ATOM 533 CB ASN A 751 22.824 -6.926 -30.201 1.00 0.00 C ATOM 534 CG ASN A 751 21.555 -6.105 -29.992 1.00 0.00 C ATOM 535 OD1 ASN A 751 21.567 -4.879 -30.105 1.00 0.00 O ATOM 536 ND2 ASN A 751 20.453 -6.763 -29.677 1.00 0.00 N ATOM 0 H ASN A 751 22.243 -8.720 -28.503 1.00 0.00 H new ATOM 0 HA ASN A 751 24.677 -7.315 -29.217 1.00 0.00 H new ATOM 0 HB2 ASN A 751 23.464 -6.406 -30.914 1.00 0.00 H new ATOM 0 HB3 ASN A 751 22.553 -7.880 -30.653 1.00 0.00 H new ATOM 0 HD21 ASN A 751 19.583 -6.255 -29.521 1.00 0.00 H new ATOM 0 HD22 ASN A 751 20.473 -7.779 -29.590 1.00 0.00 H new ATOM 543 N SER A 752 23.841 -4.826 -28.391 1.00 0.00 N ATOM 544 CA SER A 752 23.820 -3.647 -27.528 1.00 0.00 C ATOM 545 C SER A 752 22.458 -3.499 -26.838 1.00 0.00 C ATOM 546 O SER A 752 22.384 -3.162 -25.656 1.00 0.00 O ATOM 547 CB SER A 752 24.144 -2.388 -28.343 1.00 0.00 C ATOM 548 OG SER A 752 24.325 -1.263 -27.503 1.00 0.00 O ATOM 0 H SER A 752 24.110 -4.635 -29.356 1.00 0.00 H new ATOM 0 HA SER A 752 24.580 -3.773 -26.757 1.00 0.00 H new ATOM 0 HB2 SER A 752 25.047 -2.555 -28.930 1.00 0.00 H new ATOM 0 HB3 SER A 752 23.337 -2.191 -29.049 1.00 0.00 H new ATOM 0 HG SER A 752 24.532 -0.476 -28.050 1.00 0.00 H new ATOM 554 N HIS A 753 21.387 -3.781 -27.573 1.00 0.00 N ATOM 555 CA HIS A 753 20.038 -3.683 -27.028 1.00 0.00 C ATOM 556 C HIS A 753 19.747 -4.825 -26.061 1.00 0.00 C ATOM 557 O HIS A 753 19.108 -4.618 -25.030 1.00 0.00 O ATOM 558 CB HIS A 753 18.998 -3.669 -28.151 1.00 0.00 C ATOM 559 CG HIS A 753 19.008 -2.413 -28.966 1.00 0.00 C ATOM 560 ND1 HIS A 753 19.360 -2.361 -30.295 1.00 0.00 N ATOM 561 CD2 HIS A 753 18.676 -1.146 -28.616 1.00 0.00 C ATOM 562 CE1 HIS A 753 19.235 -1.092 -30.705 1.00 0.00 C ATOM 563 NE2 HIS A 753 18.821 -0.313 -29.722 1.00 0.00 N ATOM 0 H HIS A 753 21.427 -4.079 -28.548 1.00 0.00 H new ATOM 0 HA HIS A 753 19.974 -2.744 -26.478 1.00 0.00 H new ATOM 0 HB2 HIS A 753 19.175 -4.520 -28.809 1.00 0.00 H new ATOM 0 HB3 HIS A 753 18.007 -3.802 -27.718 1.00 0.00 H new ATOM 0 HD2 HIS A 753 18.351 -0.833 -27.635 1.00 0.00 H new ATOM 0 HE1 HIS A 753 19.445 -0.751 -31.708 1.00 0.00 H new ATOM 0 HE2 HIS A 753 18.644 0.691 -29.764 1.00 0.00 H new ATOM 571 N ASP A 754 20.224 -6.024 -26.386 1.00 0.00 N ATOM 572 CA ASP A 754 20.015 -7.183 -25.521 1.00 0.00 C ATOM 573 C ASP A 754 20.701 -6.970 -24.180 1.00 0.00 C ATOM 574 O ASP A 754 20.108 -7.190 -23.124 1.00 0.00 O ATOM 575 CB ASP A 754 20.552 -8.469 -26.152 1.00 0.00 C ATOM 576 CG ASP A 754 19.830 -8.880 -27.419 1.00 0.00 C ATOM 577 OD1 ASP A 754 18.591 -9.016 -27.390 1.00 0.00 O ATOM 578 OD2 ASP A 754 20.512 -9.091 -28.446 1.00 0.00 O ATOM 0 H ASP A 754 20.754 -6.218 -27.235 1.00 0.00 H new ATOM 0 HA ASP A 754 18.939 -7.288 -25.381 1.00 0.00 H new ATOM 0 HB2 ASP A 754 21.611 -8.338 -26.375 1.00 0.00 H new ATOM 0 HB3 ASP A 754 20.477 -9.277 -25.425 1.00 0.00 H new ATOM 583 N ARG A 755 21.960 -6.545 -24.233 1.00 0.00 N ATOM 584 CA ARG A 755 22.716 -6.250 -23.027 1.00 0.00 C ATOM 585 C ARG A 755 22.031 -5.140 -22.242 1.00 0.00 C ATOM 586 O ARG A 755 21.844 -5.257 -21.033 1.00 0.00 O ATOM 587 CB ARG A 755 24.150 -5.838 -23.372 1.00 0.00 C ATOM 588 CG ARG A 755 24.930 -6.899 -24.131 1.00 0.00 C ATOM 589 CD ARG A 755 26.377 -6.479 -24.348 1.00 0.00 C ATOM 590 NE ARG A 755 27.124 -7.443 -25.164 1.00 0.00 N ATOM 591 CZ ARG A 755 28.034 -7.106 -26.087 1.00 0.00 C ATOM 592 NH1 ARG A 755 28.327 -5.830 -26.306 1.00 0.00 N ATOM 593 NH2 ARG A 755 28.653 -8.049 -26.791 1.00 0.00 N ATOM 0 H ARG A 755 22.476 -6.398 -25.101 1.00 0.00 H new ATOM 0 HA ARG A 755 22.754 -7.152 -22.416 1.00 0.00 H new ATOM 0 HB2 ARG A 755 24.122 -4.926 -23.968 1.00 0.00 H new ATOM 0 HB3 ARG A 755 24.681 -5.600 -22.450 1.00 0.00 H new ATOM 0 HG2 ARG A 755 24.902 -7.838 -23.578 1.00 0.00 H new ATOM 0 HG3 ARG A 755 24.455 -7.082 -25.095 1.00 0.00 H new ATOM 0 HD2 ARG A 755 26.400 -5.503 -24.832 1.00 0.00 H new ATOM 0 HD3 ARG A 755 26.869 -6.367 -23.382 1.00 0.00 H new ATOM 0 HE ARG A 755 26.938 -8.435 -25.019 1.00 0.00 H new ATOM 0 HH11 ARG A 755 27.858 -5.100 -25.770 1.00 0.00 H new ATOM 0 HH12 ARG A 755 29.021 -5.580 -27.010 1.00 0.00 H new ATOM 0 HH21 ARG A 755 28.435 -9.032 -26.629 1.00 0.00 H new ATOM 0 HH22 ARG A 755 29.346 -7.789 -27.493 1.00 0.00 H new ATOM 607 N LEU A 756 21.642 -4.074 -22.945 1.00 0.00 N ATOM 608 CA LEU A 756 20.961 -2.942 -22.325 1.00 0.00 C ATOM 609 C LEU A 756 19.718 -3.405 -21.576 1.00 0.00 C ATOM 610 O LEU A 756 19.465 -2.971 -20.454 1.00 0.00 O ATOM 611 CB LEU A 756 20.576 -1.903 -23.382 1.00 0.00 C ATOM 612 CG LEU A 756 19.829 -0.672 -22.859 1.00 0.00 C ATOM 613 CD1 LEU A 756 20.715 0.145 -21.928 1.00 0.00 C ATOM 614 CD2 LEU A 756 19.340 0.183 -24.019 1.00 0.00 C ATOM 0 H LEU A 756 21.789 -3.974 -23.949 1.00 0.00 H new ATOM 0 HA LEU A 756 21.647 -2.484 -21.613 1.00 0.00 H new ATOM 0 HB2 LEU A 756 21.484 -1.569 -23.884 1.00 0.00 H new ATOM 0 HB3 LEU A 756 19.956 -2.389 -24.135 1.00 0.00 H new ATOM 0 HG LEU A 756 18.964 -1.013 -22.290 1.00 0.00 H new ATOM 0 HD11 LEU A 756 20.163 1.014 -21.570 1.00 0.00 H new ATOM 0 HD12 LEU A 756 21.015 -0.470 -21.079 1.00 0.00 H new ATOM 0 HD13 LEU A 756 21.602 0.476 -22.468 1.00 0.00 H new ATOM 0 HD21 LEU A 756 18.811 1.054 -23.632 1.00 0.00 H new ATOM 0 HD22 LEU A 756 20.192 0.511 -24.614 1.00 0.00 H new ATOM 0 HD23 LEU A 756 18.666 -0.403 -24.644 1.00 0.00 H new ATOM 626 N ARG A 757 18.945 -4.285 -22.208 1.00 0.00 N ATOM 627 CA ARG A 757 17.789 -4.898 -21.561 1.00 0.00 C ATOM 628 C ARG A 757 18.184 -5.493 -20.220 1.00 0.00 C ATOM 629 O ARG A 757 17.610 -5.153 -19.189 1.00 0.00 O ATOM 630 CB ARG A 757 17.195 -5.993 -22.448 1.00 0.00 C ATOM 631 CG ARG A 757 16.369 -5.471 -23.610 1.00 0.00 C ATOM 632 CD ARG A 757 14.958 -5.106 -23.179 1.00 0.00 C ATOM 633 NE ARG A 757 14.912 -3.945 -22.290 1.00 0.00 N ATOM 634 CZ ARG A 757 13.840 -3.609 -21.575 1.00 0.00 C ATOM 635 NH1 ARG A 757 12.751 -4.370 -21.607 1.00 0.00 N ATOM 636 NH2 ARG A 757 13.857 -2.517 -20.818 1.00 0.00 N ATOM 0 H ARG A 757 19.099 -4.590 -23.169 1.00 0.00 H new ATOM 0 HA ARG A 757 17.040 -4.122 -21.402 1.00 0.00 H new ATOM 0 HB2 ARG A 757 18.006 -6.607 -22.840 1.00 0.00 H new ATOM 0 HB3 ARG A 757 16.570 -6.643 -21.835 1.00 0.00 H new ATOM 0 HG2 ARG A 757 16.856 -4.595 -24.038 1.00 0.00 H new ATOM 0 HG3 ARG A 757 16.326 -6.227 -24.394 1.00 0.00 H new ATOM 0 HD2 ARG A 757 14.355 -4.903 -24.064 1.00 0.00 H new ATOM 0 HD3 ARG A 757 14.506 -5.960 -22.675 1.00 0.00 H new ATOM 0 HE ARG A 757 15.745 -3.362 -22.214 1.00 0.00 H new ATOM 0 HH11 ARG A 757 12.735 -5.214 -22.180 1.00 0.00 H new ATOM 0 HH12 ARG A 757 11.931 -4.110 -21.058 1.00 0.00 H new ATOM 0 HH21 ARG A 757 14.693 -1.933 -20.783 1.00 0.00 H new ATOM 0 HH22 ARG A 757 13.034 -2.262 -20.272 1.00 0.00 H new ATOM 650 N VAL A 758 19.187 -6.359 -20.246 1.00 0.00 N ATOM 651 CA VAL A 758 19.650 -7.040 -19.047 1.00 0.00 C ATOM 652 C VAL A 758 20.137 -6.045 -17.989 1.00 0.00 C ATOM 653 O VAL A 758 19.769 -6.156 -16.818 1.00 0.00 O ATOM 654 CB VAL A 758 20.776 -8.043 -19.370 1.00 0.00 C ATOM 655 CG1 VAL A 758 21.267 -8.722 -18.106 1.00 0.00 C ATOM 656 CG2 VAL A 758 20.304 -9.078 -20.376 1.00 0.00 C ATOM 0 H VAL A 758 19.699 -6.608 -21.092 1.00 0.00 H new ATOM 0 HA VAL A 758 18.797 -7.587 -18.646 1.00 0.00 H new ATOM 0 HB VAL A 758 21.605 -7.489 -19.810 1.00 0.00 H new ATOM 0 HG11 VAL A 758 22.061 -9.426 -18.356 1.00 0.00 H new ATOM 0 HG12 VAL A 758 21.651 -7.971 -17.415 1.00 0.00 H new ATOM 0 HG13 VAL A 758 20.442 -9.258 -17.637 1.00 0.00 H new ATOM 0 HG21 VAL A 758 21.115 -9.775 -20.589 1.00 0.00 H new ATOM 0 HG22 VAL A 758 19.455 -9.624 -19.965 1.00 0.00 H new ATOM 0 HG23 VAL A 758 20.003 -8.579 -21.297 1.00 0.00 H new ATOM 666 N HIS A 759 20.953 -5.075 -18.408 1.00 0.00 N ATOM 667 CA HIS A 759 21.463 -4.055 -17.490 1.00 0.00 C ATOM 668 C HIS A 759 20.309 -3.327 -16.815 1.00 0.00 C ATOM 669 O HIS A 759 20.255 -3.242 -15.590 1.00 0.00 O ATOM 670 CB HIS A 759 22.354 -3.028 -18.205 1.00 0.00 C ATOM 671 CG HIS A 759 23.682 -3.554 -18.669 1.00 0.00 C ATOM 672 ND1 HIS A 759 24.695 -3.839 -17.787 1.00 0.00 N ATOM 673 CD2 HIS A 759 24.121 -3.788 -19.928 1.00 0.00 C ATOM 674 CE1 HIS A 759 25.718 -4.235 -18.519 1.00 0.00 C ATOM 675 NE2 HIS A 759 25.423 -4.219 -19.828 1.00 0.00 N ATOM 0 H HIS A 759 21.273 -4.975 -19.371 1.00 0.00 H new ATOM 0 HA HIS A 759 22.068 -4.572 -16.745 1.00 0.00 H new ATOM 0 HB2 HIS A 759 21.813 -2.638 -19.067 1.00 0.00 H new ATOM 0 HB3 HIS A 759 22.528 -2.189 -17.532 1.00 0.00 H new ATOM 0 HD2 HIS A 759 23.555 -3.660 -20.839 1.00 0.00 H new ATOM 0 HE1 HIS A 759 26.674 -4.535 -18.115 1.00 0.00 H new ATOM 0 HE2 HIS A 759 26.042 -4.476 -20.597 1.00 0.00 H new ATOM 683 N GLN A 760 19.377 -2.826 -17.625 1.00 0.00 N ATOM 684 CA GLN A 760 18.219 -2.098 -17.119 1.00 0.00 C ATOM 685 C GLN A 760 17.424 -2.936 -16.127 1.00 0.00 C ATOM 686 O GLN A 760 17.005 -2.443 -15.081 1.00 0.00 O ATOM 687 CB GLN A 760 17.309 -1.682 -18.273 1.00 0.00 C ATOM 688 CG GLN A 760 17.908 -0.628 -19.185 1.00 0.00 C ATOM 689 CD GLN A 760 17.005 -0.287 -20.355 1.00 0.00 C ATOM 690 OE1 GLN A 760 16.247 -1.131 -20.841 1.00 0.00 O ATOM 691 NE2 GLN A 760 17.072 0.954 -20.811 1.00 0.00 N ATOM 0 H GLN A 760 19.404 -2.913 -18.641 1.00 0.00 H new ATOM 0 HA GLN A 760 18.589 -1.211 -16.604 1.00 0.00 H new ATOM 0 HB2 GLN A 760 17.065 -2.564 -18.866 1.00 0.00 H new ATOM 0 HB3 GLN A 760 16.372 -1.304 -17.864 1.00 0.00 H new ATOM 0 HG2 GLN A 760 18.106 0.276 -18.609 1.00 0.00 H new ATOM 0 HG3 GLN A 760 18.867 -0.982 -19.562 1.00 0.00 H new ATOM 0 HE21 GLN A 760 17.712 1.621 -20.381 1.00 0.00 H new ATOM 0 HE22 GLN A 760 16.483 1.243 -21.592 1.00 0.00 H new ATOM 700 N ILE A 761 17.221 -4.202 -16.463 1.00 0.00 N ATOM 701 CA ILE A 761 16.445 -5.097 -15.619 1.00 0.00 C ATOM 702 C ILE A 761 17.159 -5.370 -14.299 1.00 0.00 C ATOM 703 O ILE A 761 16.574 -5.222 -13.228 1.00 0.00 O ATOM 704 CB ILE A 761 16.146 -6.429 -16.335 1.00 0.00 C ATOM 705 CG1 ILE A 761 15.294 -6.175 -17.579 1.00 0.00 C ATOM 706 CG2 ILE A 761 15.435 -7.401 -15.400 1.00 0.00 C ATOM 707 CD1 ILE A 761 15.174 -7.373 -18.499 1.00 0.00 C ATOM 0 H ILE A 761 17.583 -4.632 -17.314 1.00 0.00 H new ATOM 0 HA ILE A 761 15.500 -4.596 -15.409 1.00 0.00 H new ATOM 0 HB ILE A 761 17.093 -6.877 -16.636 1.00 0.00 H new ATOM 0 HG12 ILE A 761 14.296 -5.868 -17.267 1.00 0.00 H new ATOM 0 HG13 ILE A 761 15.723 -5.343 -18.137 1.00 0.00 H new ATOM 0 HG21 ILE A 761 15.235 -8.333 -15.928 1.00 0.00 H new ATOM 0 HG22 ILE A 761 16.067 -7.602 -14.535 1.00 0.00 H new ATOM 0 HG23 ILE A 761 14.494 -6.963 -15.067 1.00 0.00 H new ATOM 0 HD11 ILE A 761 14.555 -7.112 -19.357 1.00 0.00 H new ATOM 0 HD12 ILE A 761 16.165 -7.668 -18.843 1.00 0.00 H new ATOM 0 HD13 ILE A 761 14.716 -8.202 -17.959 1.00 0.00 H new ATOM 719 N ALA A 762 18.432 -5.743 -14.371 1.00 0.00 N ATOM 720 CA ALA A 762 19.203 -6.036 -13.170 1.00 0.00 C ATOM 721 C ALA A 762 19.310 -4.797 -12.288 1.00 0.00 C ATOM 722 O ALA A 762 19.220 -4.880 -11.063 1.00 0.00 O ATOM 723 CB ALA A 762 20.585 -6.551 -13.539 1.00 0.00 C ATOM 0 H ALA A 762 18.949 -5.849 -15.244 1.00 0.00 H new ATOM 0 HA ALA A 762 18.685 -6.813 -12.608 1.00 0.00 H new ATOM 0 HB1 ALA A 762 21.148 -6.765 -12.631 1.00 0.00 H new ATOM 0 HB2 ALA A 762 20.488 -7.462 -14.129 1.00 0.00 H new ATOM 0 HB3 ALA A 762 21.111 -5.795 -14.122 1.00 0.00 H new ATOM 729 N GLU A 763 19.474 -3.650 -12.929 1.00 0.00 N ATOM 730 CA GLU A 763 19.572 -2.369 -12.236 1.00 0.00 C ATOM 731 C GLU A 763 18.234 -2.004 -11.590 1.00 0.00 C ATOM 732 O GLU A 763 18.191 -1.358 -10.545 1.00 0.00 O ATOM 733 CB GLU A 763 20.004 -1.294 -13.239 1.00 0.00 C ATOM 734 CG GLU A 763 20.350 0.055 -12.635 1.00 0.00 C ATOM 735 CD GLU A 763 21.001 0.968 -13.655 1.00 0.00 C ATOM 736 OE1 GLU A 763 20.279 1.536 -14.501 1.00 0.00 O ATOM 737 OE2 GLU A 763 22.245 1.104 -13.627 1.00 0.00 O ATOM 0 H GLU A 763 19.543 -3.578 -13.944 1.00 0.00 H new ATOM 0 HA GLU A 763 20.314 -2.439 -11.441 1.00 0.00 H new ATOM 0 HB2 GLU A 763 20.871 -1.661 -13.789 1.00 0.00 H new ATOM 0 HB3 GLU A 763 19.203 -1.154 -13.964 1.00 0.00 H new ATOM 0 HG2 GLU A 763 19.446 0.525 -12.249 1.00 0.00 H new ATOM 0 HG3 GLU A 763 21.022 -0.085 -11.789 1.00 0.00 H new ATOM 744 N GLU A 764 17.148 -2.447 -12.212 1.00 0.00 N ATOM 745 CA GLU A 764 15.805 -2.183 -11.707 1.00 0.00 C ATOM 746 C GLU A 764 15.493 -3.089 -10.518 1.00 0.00 C ATOM 747 O GLU A 764 14.926 -2.650 -9.515 1.00 0.00 O ATOM 748 CB GLU A 764 14.776 -2.401 -12.823 1.00 0.00 C ATOM 749 CG GLU A 764 13.393 -1.854 -12.507 1.00 0.00 C ATOM 750 CD GLU A 764 13.398 -0.354 -12.286 1.00 0.00 C ATOM 751 OE1 GLU A 764 13.780 0.388 -13.216 1.00 0.00 O ATOM 752 OE2 GLU A 764 13.032 0.090 -11.180 1.00 0.00 O ATOM 0 H GLU A 764 17.171 -2.994 -13.072 1.00 0.00 H new ATOM 0 HA GLU A 764 15.754 -1.147 -11.373 1.00 0.00 H new ATOM 0 HB2 GLU A 764 15.141 -1.931 -13.736 1.00 0.00 H new ATOM 0 HB3 GLU A 764 14.695 -3.469 -13.025 1.00 0.00 H new ATOM 0 HG2 GLU A 764 12.715 -2.095 -13.326 1.00 0.00 H new ATOM 0 HG3 GLU A 764 13.005 -2.348 -11.616 1.00 0.00 H new ATOM 759 N HIS A 765 15.873 -4.353 -10.632 1.00 0.00 N ATOM 760 CA HIS A 765 15.626 -5.326 -9.572 1.00 0.00 C ATOM 761 C HIS A 765 16.591 -5.121 -8.407 1.00 0.00 C ATOM 762 O HIS A 765 16.267 -5.426 -7.258 1.00 0.00 O ATOM 763 CB HIS A 765 15.733 -6.754 -10.116 1.00 0.00 C ATOM 764 CG HIS A 765 14.574 -7.153 -10.983 1.00 0.00 C ATOM 765 ND1 HIS A 765 13.618 -8.070 -10.609 1.00 0.00 N ATOM 766 CD2 HIS A 765 14.231 -6.753 -12.233 1.00 0.00 C ATOM 767 CE1 HIS A 765 12.750 -8.201 -11.620 1.00 0.00 C ATOM 768 NE2 HIS A 765 13.076 -7.419 -12.629 1.00 0.00 N ATOM 0 H HIS A 765 16.354 -4.732 -11.448 1.00 0.00 H new ATOM 0 HA HIS A 765 14.612 -5.173 -9.202 1.00 0.00 H new ATOM 0 HB2 HIS A 765 16.655 -6.848 -10.690 1.00 0.00 H new ATOM 0 HB3 HIS A 765 15.807 -7.449 -9.279 1.00 0.00 H new ATOM 0 HD2 HIS A 765 14.770 -6.031 -12.828 1.00 0.00 H new ATOM 0 HE1 HIS A 765 11.895 -8.861 -11.610 1.00 0.00 H new ATOM 0 HE2 HIS A 765 12.583 -7.322 -13.517 1.00 0.00 H new ATOM 776 N GLY A 766 17.772 -4.597 -8.705 1.00 0.00 N ATOM 777 CA GLY A 766 18.740 -4.310 -7.662 1.00 0.00 C ATOM 778 C GLY A 766 19.861 -5.331 -7.608 1.00 0.00 C ATOM 779 O GLY A 766 20.493 -5.514 -6.568 1.00 0.00 O ATOM 0 H GLY A 766 18.078 -4.365 -9.650 1.00 0.00 H new ATOM 0 HA2 GLY A 766 19.164 -3.319 -7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 766 18.232 -4.282 -6.698 1.00 0.00 H new ATOM 783 N LEU A 767 20.109 -5.993 -8.730 1.00 0.00 N ATOM 784 CA LEU A 767 21.158 -7.002 -8.813 1.00 0.00 C ATOM 785 C LEU A 767 22.429 -6.382 -9.375 1.00 0.00 C ATOM 786 O LEU A 767 22.394 -5.291 -9.949 1.00 0.00 O ATOM 787 CB LEU A 767 20.713 -8.171 -9.697 1.00 0.00 C ATOM 788 CG LEU A 767 19.413 -8.857 -9.272 1.00 0.00 C ATOM 789 CD1 LEU A 767 19.060 -9.961 -10.252 1.00 0.00 C ATOM 790 CD2 LEU A 767 19.530 -9.415 -7.861 1.00 0.00 C ATOM 0 H LEU A 767 19.596 -5.849 -9.600 1.00 0.00 H new ATOM 0 HA LEU A 767 21.355 -7.381 -7.810 1.00 0.00 H new ATOM 0 HB2 LEU A 767 20.596 -7.808 -10.718 1.00 0.00 H new ATOM 0 HB3 LEU A 767 21.509 -8.916 -9.713 1.00 0.00 H new ATOM 0 HG LEU A 767 18.615 -8.115 -9.276 1.00 0.00 H new ATOM 0 HD11 LEU A 767 18.133 -10.442 -9.940 1.00 0.00 H new ATOM 0 HD12 LEU A 767 18.931 -9.536 -11.247 1.00 0.00 H new ATOM 0 HD13 LEU A 767 19.862 -10.699 -10.274 1.00 0.00 H new ATOM 0 HD21 LEU A 767 18.593 -9.898 -7.582 1.00 0.00 H new ATOM 0 HD22 LEU A 767 20.339 -10.144 -7.824 1.00 0.00 H new ATOM 0 HD23 LEU A 767 19.741 -8.603 -7.165 1.00 0.00 H new ATOM 802 N ARG A 768 23.548 -7.071 -9.216 1.00 0.00 N ATOM 803 CA ARG A 768 24.820 -6.559 -9.692 1.00 0.00 C ATOM 804 C ARG A 768 25.107 -7.086 -11.091 1.00 0.00 C ATOM 805 O ARG A 768 25.328 -8.280 -11.284 1.00 0.00 O ATOM 806 CB ARG A 768 25.948 -6.966 -8.754 1.00 0.00 C ATOM 807 CG ARG A 768 27.220 -6.158 -8.951 1.00 0.00 C ATOM 808 CD ARG A 768 28.402 -6.780 -8.230 1.00 0.00 C ATOM 809 NE ARG A 768 28.896 -7.971 -8.919 1.00 0.00 N ATOM 810 CZ ARG A 768 29.991 -8.639 -8.555 1.00 0.00 C ATOM 811 NH1 ARG A 768 30.645 -8.292 -7.452 1.00 0.00 N ATOM 812 NH2 ARG A 768 30.420 -9.662 -9.283 1.00 0.00 N ATOM 0 H ARG A 768 23.600 -7.983 -8.762 1.00 0.00 H new ATOM 0 HA ARG A 768 24.760 -5.471 -9.720 1.00 0.00 H new ATOM 0 HB2 ARG A 768 25.611 -6.854 -7.723 1.00 0.00 H new ATOM 0 HB3 ARG A 768 26.171 -8.022 -8.903 1.00 0.00 H new ATOM 0 HG2 ARG A 768 27.442 -6.084 -10.016 1.00 0.00 H new ATOM 0 HG3 ARG A 768 27.065 -5.143 -8.586 1.00 0.00 H new ATOM 0 HD2 ARG A 768 29.205 -6.047 -8.150 1.00 0.00 H new ATOM 0 HD3 ARG A 768 28.109 -7.044 -7.214 1.00 0.00 H new ATOM 0 HE ARG A 768 28.372 -8.311 -9.726 1.00 0.00 H new ATOM 0 HH11 ARG A 768 30.309 -7.514 -6.883 1.00 0.00 H new ATOM 0 HH12 ARG A 768 31.483 -8.803 -7.174 1.00 0.00 H new ATOM 0 HH21 ARG A 768 29.912 -9.939 -10.123 1.00 0.00 H new ATOM 0 HH22 ARG A 768 31.258 -10.172 -9.003 1.00 0.00 H new ATOM 826 N HIS A 769 25.106 -6.193 -12.055 1.00 0.00 N ATOM 827 CA HIS A 769 25.327 -6.561 -13.441 1.00 0.00 C ATOM 828 C HIS A 769 26.691 -6.085 -13.910 1.00 0.00 C ATOM 829 O HIS A 769 27.025 -4.909 -13.799 1.00 0.00 O ATOM 830 CB HIS A 769 24.211 -6.003 -14.338 1.00 0.00 C ATOM 831 CG HIS A 769 23.804 -4.588 -14.029 1.00 0.00 C ATOM 832 ND1 HIS A 769 23.974 -3.581 -14.939 1.00 0.00 N ATOM 833 CD2 HIS A 769 23.219 -4.081 -12.914 1.00 0.00 C ATOM 834 CE1 HIS A 769 23.494 -2.493 -14.376 1.00 0.00 C ATOM 835 NE2 HIS A 769 23.026 -2.743 -13.144 1.00 0.00 N ATOM 0 H HIS A 769 24.953 -5.196 -11.905 1.00 0.00 H new ATOM 0 HA HIS A 769 25.304 -7.648 -13.514 1.00 0.00 H new ATOM 0 HB2 HIS A 769 24.539 -6.054 -15.376 1.00 0.00 H new ATOM 0 HB3 HIS A 769 23.336 -6.646 -14.248 1.00 0.00 H new ATOM 0 HD1 HIS A 769 24.389 -3.658 -15.867 1.00 0.00 H new ATOM 0 HD2 HIS A 769 22.956 -4.626 -12.019 1.00 0.00 H new ATOM 0 HE1 HIS A 769 23.479 -1.521 -14.847 1.00 0.00 H new ATOM 843 N ASP A 770 27.481 -7.021 -14.402 1.00 0.00 N ATOM 844 CA ASP A 770 28.822 -6.722 -14.884 1.00 0.00 C ATOM 845 C ASP A 770 29.093 -7.463 -16.177 1.00 0.00 C ATOM 846 O ASP A 770 28.851 -8.665 -16.286 1.00 0.00 O ATOM 847 CB ASP A 770 29.874 -7.099 -13.832 1.00 0.00 C ATOM 848 CG ASP A 770 31.295 -6.980 -14.356 1.00 0.00 C ATOM 849 OD1 ASP A 770 31.828 -5.851 -14.410 1.00 0.00 O ATOM 850 OD2 ASP A 770 31.890 -8.024 -14.706 1.00 0.00 O ATOM 0 H ASP A 770 27.217 -8.003 -14.480 1.00 0.00 H new ATOM 0 HA ASP A 770 28.887 -5.650 -15.070 1.00 0.00 H new ATOM 0 HB2 ASP A 770 29.757 -6.455 -12.960 1.00 0.00 H new ATOM 0 HB3 ASP A 770 29.698 -8.122 -13.499 1.00 0.00 H new ATOM 855 N SER A 771 29.571 -6.734 -17.160 1.00 0.00 N ATOM 856 CA SER A 771 29.893 -7.316 -18.440 1.00 0.00 C ATOM 857 C SER A 771 31.372 -7.657 -18.521 1.00 0.00 C ATOM 858 O SER A 771 32.225 -6.900 -18.059 1.00 0.00 O ATOM 859 CB SER A 771 29.489 -6.372 -19.567 1.00 0.00 C ATOM 860 OG SER A 771 29.930 -5.042 -19.331 1.00 0.00 O ATOM 0 H SER A 771 29.746 -5.731 -17.095 1.00 0.00 H new ATOM 0 HA SER A 771 29.330 -8.243 -18.550 1.00 0.00 H new ATOM 0 HB2 SER A 771 29.907 -6.731 -20.508 1.00 0.00 H new ATOM 0 HB3 SER A 771 28.404 -6.380 -19.676 1.00 0.00 H new ATOM 0 HG SER A 771 29.653 -4.469 -20.076 1.00 0.00 H new ATOM 976 N PHE A 779 30.383 -10.642 -23.041 1.00 0.00 N ATOM 977 CA PHE A 779 29.136 -11.170 -22.529 1.00 0.00 C ATOM 978 C PHE A 779 28.775 -10.440 -21.243 1.00 0.00 C ATOM 979 O PHE A 779 29.569 -9.650 -20.730 1.00 0.00 O ATOM 980 CB PHE A 779 29.236 -12.682 -22.290 1.00 0.00 C ATOM 981 CG PHE A 779 30.348 -13.092 -21.359 1.00 0.00 C ATOM 982 CD1 PHE A 779 31.620 -13.339 -21.850 1.00 0.00 C ATOM 983 CD2 PHE A 779 30.120 -13.236 -19.998 1.00 0.00 C ATOM 984 CE1 PHE A 779 32.644 -13.719 -21.005 1.00 0.00 C ATOM 985 CE2 PHE A 779 31.141 -13.619 -19.147 1.00 0.00 C ATOM 986 CZ PHE A 779 32.405 -13.859 -19.652 1.00 0.00 C ATOM 0 HA PHE A 779 28.350 -11.009 -23.267 1.00 0.00 H new ATOM 0 HB2 PHE A 779 28.289 -13.037 -21.884 1.00 0.00 H new ATOM 0 HB3 PHE A 779 29.379 -13.181 -23.249 1.00 0.00 H new ATOM 0 HD1 PHE A 779 31.813 -13.233 -22.907 1.00 0.00 H new ATOM 0 HD2 PHE A 779 29.135 -13.047 -19.599 1.00 0.00 H new ATOM 0 HE1 PHE A 779 33.631 -13.907 -21.402 1.00 0.00 H new ATOM 0 HE2 PHE A 779 30.951 -13.730 -18.090 1.00 0.00 H new ATOM 0 HZ PHE A 779 33.205 -14.156 -18.989 1.00 0.00 H new ATOM 996 N ILE A 780 27.585 -10.681 -20.726 1.00 0.00 N ATOM 997 CA ILE A 780 27.146 -10.008 -19.517 1.00 0.00 C ATOM 998 C ILE A 780 26.826 -11.020 -18.419 1.00 0.00 C ATOM 999 O ILE A 780 26.256 -12.078 -18.678 1.00 0.00 O ATOM 1000 CB ILE A 780 25.925 -9.097 -19.795 1.00 0.00 C ATOM 1001 CG1 ILE A 780 25.502 -8.358 -18.524 1.00 0.00 C ATOM 1002 CG2 ILE A 780 24.762 -9.902 -20.360 1.00 0.00 C ATOM 1003 CD1 ILE A 780 24.335 -7.418 -18.729 1.00 0.00 C ATOM 0 H ILE A 780 26.908 -11.334 -21.121 1.00 0.00 H new ATOM 0 HA ILE A 780 27.964 -9.375 -19.172 1.00 0.00 H new ATOM 0 HB ILE A 780 26.218 -8.358 -20.541 1.00 0.00 H new ATOM 0 HG12 ILE A 780 25.239 -9.089 -17.760 1.00 0.00 H new ATOM 0 HG13 ILE A 780 26.352 -7.791 -18.144 1.00 0.00 H new ATOM 0 HG21 ILE A 780 23.917 -9.239 -20.546 1.00 0.00 H new ATOM 0 HG22 ILE A 780 25.066 -10.374 -21.294 1.00 0.00 H new ATOM 0 HG23 ILE A 780 24.469 -10.670 -19.644 1.00 0.00 H new ATOM 0 HD11 ILE A 780 24.091 -6.930 -17.786 1.00 0.00 H new ATOM 0 HD12 ILE A 780 24.601 -6.664 -19.470 1.00 0.00 H new ATOM 0 HD13 ILE A 780 23.471 -7.982 -19.080 1.00 0.00 H new ATOM 1015 N THR A 781 27.232 -10.710 -17.201 1.00 0.00 N ATOM 1016 CA THR A 781 26.995 -11.591 -16.076 1.00 0.00 C ATOM 1017 C THR A 781 26.197 -10.869 -14.995 1.00 0.00 C ATOM 1018 O THR A 781 26.615 -9.823 -14.492 1.00 0.00 O ATOM 1019 CB THR A 781 28.324 -12.098 -15.487 1.00 0.00 C ATOM 1020 OG1 THR A 781 29.190 -12.531 -16.544 1.00 0.00 O ATOM 1021 CG2 THR A 781 28.088 -13.250 -14.524 1.00 0.00 C ATOM 0 H THR A 781 27.729 -9.851 -16.967 1.00 0.00 H new ATOM 0 HA THR A 781 26.422 -12.447 -16.434 1.00 0.00 H new ATOM 0 HB THR A 781 28.789 -11.277 -14.941 1.00 0.00 H new ATOM 0 HG1 THR A 781 30.035 -12.851 -16.164 1.00 0.00 H new ATOM 0 HG21 THR A 781 29.043 -13.590 -14.122 1.00 0.00 H new ATOM 0 HG22 THR A 781 27.448 -12.916 -13.707 1.00 0.00 H new ATOM 0 HG23 THR A 781 27.603 -14.072 -15.051 1.00 0.00 H new ATOM 1029 N VAL A 782 25.036 -11.408 -14.664 1.00 0.00 N ATOM 1030 CA VAL A 782 24.209 -10.846 -13.608 1.00 0.00 C ATOM 1031 C VAL A 782 24.398 -11.637 -12.329 1.00 0.00 C ATOM 1032 O VAL A 782 24.075 -12.819 -12.276 1.00 0.00 O ATOM 1033 CB VAL A 782 22.716 -10.853 -13.991 1.00 0.00 C ATOM 1034 CG1 VAL A 782 21.870 -10.209 -12.904 1.00 0.00 C ATOM 1035 CG2 VAL A 782 22.506 -10.147 -15.311 1.00 0.00 C ATOM 0 H VAL A 782 24.643 -12.236 -15.112 1.00 0.00 H new ATOM 0 HA VAL A 782 24.521 -9.812 -13.460 1.00 0.00 H new ATOM 0 HB VAL A 782 22.399 -11.891 -14.095 1.00 0.00 H new ATOM 0 HG11 VAL A 782 20.821 -10.227 -13.200 1.00 0.00 H new ATOM 0 HG12 VAL A 782 21.994 -10.761 -11.972 1.00 0.00 H new ATOM 0 HG13 VAL A 782 22.188 -9.177 -12.759 1.00 0.00 H new ATOM 0 HG21 VAL A 782 21.446 -10.161 -15.567 1.00 0.00 H new ATOM 0 HG22 VAL A 782 22.846 -9.115 -15.230 1.00 0.00 H new ATOM 0 HG23 VAL A 782 23.074 -10.656 -16.090 1.00 0.00 H new ATOM 1045 N SER A 783 24.937 -10.994 -11.315 1.00 0.00 N ATOM 1046 CA SER A 783 25.199 -11.657 -10.055 1.00 0.00 C ATOM 1047 C SER A 783 24.269 -11.129 -8.969 1.00 0.00 C ATOM 1048 O SER A 783 24.030 -9.923 -8.861 1.00 0.00 O ATOM 1049 CB SER A 783 26.671 -11.473 -9.660 1.00 0.00 C ATOM 1050 OG SER A 783 26.989 -12.207 -8.490 1.00 0.00 O ATOM 0 H SER A 783 25.203 -10.010 -11.339 1.00 0.00 H new ATOM 0 HA SER A 783 25.005 -12.724 -10.170 1.00 0.00 H new ATOM 0 HB2 SER A 783 27.312 -11.797 -10.480 1.00 0.00 H new ATOM 0 HB3 SER A 783 26.875 -10.415 -9.494 1.00 0.00 H new ATOM 0 HG SER A 783 26.360 -12.952 -8.390 1.00 0.00 H new ATOM 1056 N LYS A 784 23.731 -12.050 -8.184 1.00 0.00 N ATOM 1057 CA LYS A 784 22.847 -11.709 -7.080 1.00 0.00 C ATOM 1058 C LYS A 784 23.660 -11.267 -5.877 1.00 0.00 C ATOM 1059 O LYS A 784 23.160 -10.569 -4.992 1.00 0.00 O ATOM 1060 CB LYS A 784 21.993 -12.913 -6.687 1.00 0.00 C ATOM 1061 CG LYS A 784 21.035 -13.378 -7.769 1.00 0.00 C ATOM 1062 CD LYS A 784 20.113 -14.479 -7.267 1.00 0.00 C ATOM 1063 CE LYS A 784 20.894 -15.679 -6.752 1.00 0.00 C ATOM 1064 NZ LYS A 784 19.998 -16.769 -6.281 1.00 0.00 N ATOM 0 H LYS A 784 23.894 -13.051 -8.294 1.00 0.00 H new ATOM 0 HA LYS A 784 22.197 -10.896 -7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 784 22.652 -13.740 -6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 784 21.420 -12.662 -5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 784 20.439 -12.534 -8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 784 21.602 -13.741 -8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 784 19.480 -14.088 -6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 784 19.451 -14.795 -8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 784 21.540 -16.058 -7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 784 21.543 -15.365 -5.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 20.431 -17.246 -5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 19.080 -16.368 -6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 19.855 -17.457 -7.048 1.00 0.00 H new