USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 652 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 639 MET CE :methyl 155:sc= -0.545 (180deg=-3.01!) USER MOD Set 1.2: A 656 LYS NZ :NH3+ -113:sc= -0.499 (180deg=-0.994!) USER MOD Single : A 594 HIS : no HD1:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 596 THR OG1 : rot 180:sc= 0 USER MOD Single : A 597 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 601 SER OG : rot -80:sc= 0.431 USER MOD Single : A 602 HIS : no HD1:sc= -0.0342 X(o=-0.034,f=-0.0073) USER MOD Single : A 605 HIS :FLIP no HE2:sc= 0.334 F(o=-1.1,f=0.33) USER MOD Single : A 606 LYS NZ :NH3+ 170:sc= -0.0199 (180deg=-0.175) USER MOD Single : A 609 GLN : amide:sc= 0.146 X(o=0.15,f=-0.026) USER MOD Single : A 614 THR OG1 : rot 49:sc= 0.332 USER MOD Single : A 621 LYS NZ :NH3+ -173:sc= 1.13 (180deg=1.06) USER MOD Single : A 625 MET CE :methyl -130:sc= -0.0942 (180deg=-0.355) USER MOD Single : A 627 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 631 TYR OH : rot 30:sc= -0.555 USER MOD Single : A 633 LYS NZ :NH3+ 162:sc= -0.105 (180deg=-0.525) USER MOD Single : A 634 LYS NZ :NH3+ -154:sc= 1.28 (180deg=0.878) USER MOD Single : A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 SER OG : rot 180:sc= 0 USER MOD Single : A 644 ASN :FLIP amide:sc= -0.161 F(o=-1.1!,f=-0.16) USER MOD Single : A 645 SER OG : rot 180:sc= -0.714 USER MOD Single : A 649 TYR OH : rot 65:sc= 0.0272 USER MOD Single : A 650 TYR OH : rot 180:sc= 0 USER MOD Single : A 651 HIS : no HE2:sc= 1.1 K(o=1.1,f=-4.4!) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ -115:sc= -0.107 (180deg=-0.384) USER MOD Single : A 661 GLN :FLIP amide:sc= -0.0825 F(o=-1.3,f=-0.083) USER MOD Single : A 662 LYS NZ :NH3+ -145:sc= 0.334 (180deg=-1.62!) USER MOD Single : B 847 SER OG : rot 180:sc=0.000518 USER MOD Single : B 850 MET CE :methyl -148:sc= -1.55 (180deg=-2.89) USER MOD ----------------------------------------------------------------- ATOM 134 N HIS A 594 20.384 -0.528 -3.070 1.00 0.00 N ATOM 135 CA HIS A 594 19.765 -1.311 -4.157 1.00 0.00 C ATOM 136 C HIS A 594 18.281 -0.977 -4.376 1.00 0.00 C ATOM 137 O HIS A 594 17.594 -1.678 -5.123 1.00 0.00 O ATOM 138 CB HIS A 594 19.929 -2.830 -3.927 1.00 0.00 C ATOM 139 CG HIS A 594 19.183 -3.379 -2.741 1.00 0.00 C ATOM 140 ND1 HIS A 594 18.725 -4.678 -2.687 1.00 0.00 N ATOM 141 CD2 HIS A 594 18.820 -2.809 -1.568 1.00 0.00 C ATOM 142 CE1 HIS A 594 18.108 -4.878 -1.537 1.00 0.00 C ATOM 143 NE2 HIS A 594 18.154 -3.761 -0.838 1.00 0.00 N ATOM 0 HA HIS A 594 20.301 -1.025 -5.062 1.00 0.00 H new ATOM 0 HB2 HIS A 594 19.595 -3.356 -4.822 1.00 0.00 H new ATOM 0 HB3 HIS A 594 20.989 -3.051 -3.804 1.00 0.00 H new ATOM 0 HD2 HIS A 594 19.018 -1.792 -1.263 1.00 0.00 H new ATOM 0 HE1 HIS A 594 17.644 -5.801 -1.222 1.00 0.00 H new ATOM 0 HE2 HIS A 594 17.759 -3.627 0.093 1.00 0.00 H new ATOM 152 N VAL A 595 17.781 0.067 -3.724 1.00 0.00 N ATOM 153 CA VAL A 595 16.423 0.543 -3.952 1.00 0.00 C ATOM 154 C VAL A 595 16.415 2.067 -3.976 1.00 0.00 C ATOM 155 O VAL A 595 17.015 2.709 -3.118 1.00 0.00 O ATOM 156 CB VAL A 595 15.438 0.052 -2.858 1.00 0.00 C ATOM 157 CG1 VAL A 595 14.049 0.642 -3.073 1.00 0.00 C ATOM 158 CG2 VAL A 595 15.367 -1.468 -2.825 1.00 0.00 C ATOM 0 H VAL A 595 18.301 0.603 -3.029 1.00 0.00 H new ATOM 0 HA VAL A 595 16.092 0.139 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 595 15.815 0.397 -1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 595 13.377 0.283 -2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 595 14.105 1.730 -3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 595 13.670 0.336 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 595 14.669 -1.783 -2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 595 15.025 -1.837 -3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 595 16.356 -1.874 -2.610 1.00 0.00 H new ATOM 168 N THR A 596 15.746 2.652 -4.951 1.00 0.00 N ATOM 169 CA THR A 596 15.636 4.095 -5.000 1.00 0.00 C ATOM 170 C THR A 596 14.430 4.540 -4.176 1.00 0.00 C ATOM 171 O THR A 596 13.437 3.816 -4.078 1.00 0.00 O ATOM 172 CB THR A 596 15.548 4.622 -6.456 1.00 0.00 C ATOM 173 OG1 THR A 596 15.363 6.044 -6.467 1.00 0.00 O ATOM 174 CG2 THR A 596 14.417 3.963 -7.226 1.00 0.00 C ATOM 0 H THR A 596 15.277 2.157 -5.710 1.00 0.00 H new ATOM 0 HA THR A 596 16.541 4.524 -4.571 1.00 0.00 H new ATOM 0 HB THR A 596 16.489 4.371 -6.945 1.00 0.00 H new ATOM 0 HG1 THR A 596 15.311 6.360 -7.393 1.00 0.00 H new ATOM 0 HG21 THR A 596 14.389 4.359 -8.241 1.00 0.00 H new ATOM 0 HG22 THR A 596 14.580 2.886 -7.261 1.00 0.00 H new ATOM 0 HG23 THR A 596 13.469 4.170 -6.729 1.00 0.00 H new ATOM 182 N GLN A 597 14.528 5.715 -3.566 1.00 0.00 N ATOM 183 CA GLN A 597 13.463 6.235 -2.714 1.00 0.00 C ATOM 184 C GLN A 597 12.180 6.386 -3.520 1.00 0.00 C ATOM 185 O GLN A 597 11.078 6.125 -3.030 1.00 0.00 O ATOM 186 CB GLN A 597 13.881 7.574 -2.107 1.00 0.00 C ATOM 187 CG GLN A 597 12.899 8.120 -1.084 1.00 0.00 C ATOM 188 CD GLN A 597 13.402 9.384 -0.419 1.00 0.00 C ATOM 189 OE1 GLN A 597 14.073 9.335 0.612 1.00 0.00 O ATOM 190 NE2 GLN A 597 13.082 10.527 -1.002 1.00 0.00 N ATOM 0 H GLN A 597 15.338 6.329 -3.646 1.00 0.00 H new ATOM 0 HA GLN A 597 13.281 5.532 -1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 597 14.856 7.459 -1.634 1.00 0.00 H new ATOM 0 HB3 GLN A 597 13.999 8.304 -2.908 1.00 0.00 H new ATOM 0 HG2 GLN A 597 11.946 8.324 -1.572 1.00 0.00 H new ATOM 0 HG3 GLN A 597 12.712 7.362 -0.323 1.00 0.00 H new ATOM 0 HE21 GLN A 597 12.524 10.525 -1.856 1.00 0.00 H new ATOM 0 HE22 GLN A 597 13.393 11.410 -0.598 1.00 0.00 H new ATOM 199 N ASP A 598 12.346 6.815 -4.763 1.00 0.00 N ATOM 200 CA ASP A 598 11.230 6.964 -5.686 1.00 0.00 C ATOM 201 C ASP A 598 10.484 5.642 -5.857 1.00 0.00 C ATOM 202 O ASP A 598 9.262 5.629 -5.920 1.00 0.00 O ATOM 203 CB ASP A 598 11.701 7.482 -7.044 1.00 0.00 C ATOM 204 CG ASP A 598 10.556 7.642 -8.026 1.00 0.00 C ATOM 205 OD1 ASP A 598 9.707 8.539 -7.816 1.00 0.00 O ATOM 206 OD2 ASP A 598 10.494 6.867 -9.006 1.00 0.00 O ATOM 0 H ASP A 598 13.252 7.068 -5.158 1.00 0.00 H new ATOM 0 HA ASP A 598 10.546 7.697 -5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 598 12.200 8.442 -6.911 1.00 0.00 H new ATOM 0 HB3 ASP A 598 12.438 6.794 -7.457 1.00 0.00 H new ATOM 211 N LEU A 599 11.222 4.533 -5.924 1.00 0.00 N ATOM 212 CA LEU A 599 10.618 3.212 -6.078 1.00 0.00 C ATOM 213 C LEU A 599 9.645 2.925 -4.941 1.00 0.00 C ATOM 214 O LEU A 599 8.494 2.557 -5.173 1.00 0.00 O ATOM 215 CB LEU A 599 11.705 2.125 -6.104 1.00 0.00 C ATOM 216 CG LEU A 599 11.253 0.770 -6.646 1.00 0.00 C ATOM 217 CD1 LEU A 599 10.819 0.916 -8.091 1.00 0.00 C ATOM 218 CD2 LEU A 599 12.364 -0.265 -6.521 1.00 0.00 C ATOM 0 H LEU A 599 12.241 4.525 -5.874 1.00 0.00 H new ATOM 0 HA LEU A 599 10.073 3.202 -7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 599 12.539 2.481 -6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 599 12.083 1.986 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 599 10.406 0.422 -6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 599 10.497 -0.053 -8.474 1.00 0.00 H new ATOM 0 HD12 LEU A 599 9.992 1.623 -8.153 1.00 0.00 H new ATOM 0 HD13 LEU A 599 11.655 1.282 -8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 599 12.017 -1.221 -6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 599 13.235 0.065 -7.088 1.00 0.00 H new ATOM 0 HD23 LEU A 599 12.637 -0.381 -5.472 1.00 0.00 H new ATOM 230 N ARG A 600 10.115 3.130 -3.717 1.00 0.00 N ATOM 231 CA ARG A 600 9.318 2.845 -2.530 1.00 0.00 C ATOM 232 C ARG A 600 8.091 3.743 -2.466 1.00 0.00 C ATOM 233 O ARG A 600 6.973 3.274 -2.259 1.00 0.00 O ATOM 234 CB ARG A 600 10.157 3.012 -1.262 1.00 0.00 C ATOM 235 CG ARG A 600 11.367 2.094 -1.215 1.00 0.00 C ATOM 236 CD ARG A 600 11.987 2.046 0.171 1.00 0.00 C ATOM 237 NE ARG A 600 12.498 3.346 0.605 1.00 0.00 N ATOM 238 CZ ARG A 600 12.461 3.772 1.868 1.00 0.00 C ATOM 239 NH1 ARG A 600 11.863 3.044 2.802 1.00 0.00 N ATOM 240 NH2 ARG A 600 13.000 4.937 2.192 1.00 0.00 N ATOM 0 H ARG A 600 11.047 3.494 -3.520 1.00 0.00 H new ATOM 0 HA ARG A 600 8.984 1.810 -2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 600 10.492 4.047 -1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 600 9.530 2.819 -0.392 1.00 0.00 H new ATOM 0 HG2 ARG A 600 11.072 1.089 -1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 600 12.111 2.437 -1.934 1.00 0.00 H new ATOM 0 HD2 ARG A 600 11.243 1.696 0.886 1.00 0.00 H new ATOM 0 HD3 ARG A 600 12.800 1.320 0.176 1.00 0.00 H new ATOM 0 HE ARG A 600 12.906 3.962 -0.099 1.00 0.00 H new ATOM 0 HH11 ARG A 600 11.429 2.154 2.555 1.00 0.00 H new ATOM 0 HH12 ARG A 600 11.837 3.374 3.767 1.00 0.00 H new ATOM 0 HH21 ARG A 600 13.444 5.510 1.475 1.00 0.00 H new ATOM 0 HH22 ARG A 600 12.971 5.261 3.159 1.00 0.00 H new ATOM 254 N SER A 601 8.299 5.037 -2.665 1.00 0.00 N ATOM 255 CA SER A 601 7.207 5.995 -2.613 1.00 0.00 C ATOM 256 C SER A 601 6.208 5.735 -3.741 1.00 0.00 C ATOM 257 O SER A 601 4.995 5.816 -3.538 1.00 0.00 O ATOM 258 CB SER A 601 7.756 7.424 -2.673 1.00 0.00 C ATOM 259 OG SER A 601 8.685 7.572 -3.734 1.00 0.00 O ATOM 0 H SER A 601 9.212 5.446 -2.863 1.00 0.00 H new ATOM 0 HA SER A 601 6.677 5.874 -1.668 1.00 0.00 H new ATOM 0 HB2 SER A 601 6.934 8.127 -2.805 1.00 0.00 H new ATOM 0 HB3 SER A 601 8.238 7.671 -1.727 1.00 0.00 H new ATOM 0 HG SER A 601 9.555 7.214 -3.459 1.00 0.00 H new ATOM 265 N HIS A 602 6.729 5.406 -4.923 1.00 0.00 N ATOM 266 CA HIS A 602 5.890 5.117 -6.087 1.00 0.00 C ATOM 267 C HIS A 602 4.925 3.976 -5.781 1.00 0.00 C ATOM 268 O HIS A 602 3.722 4.083 -6.022 1.00 0.00 O ATOM 269 CB HIS A 602 6.750 4.752 -7.305 1.00 0.00 C ATOM 270 CG HIS A 602 6.002 4.785 -8.601 1.00 0.00 C ATOM 271 ND1 HIS A 602 5.827 3.675 -9.395 1.00 0.00 N ATOM 272 CD2 HIS A 602 5.396 5.807 -9.249 1.00 0.00 C ATOM 273 CE1 HIS A 602 5.146 4.010 -10.473 1.00 0.00 C ATOM 274 NE2 HIS A 602 4.871 5.297 -10.410 1.00 0.00 N ATOM 0 H HIS A 602 7.731 5.333 -5.100 1.00 0.00 H new ATOM 0 HA HIS A 602 5.319 6.016 -6.318 1.00 0.00 H new ATOM 0 HB2 HIS A 602 7.592 5.442 -7.364 1.00 0.00 H new ATOM 0 HB3 HIS A 602 7.165 3.754 -7.160 1.00 0.00 H new ATOM 0 HD2 HIS A 602 5.337 6.832 -8.915 1.00 0.00 H new ATOM 0 HE1 HIS A 602 4.862 3.342 -11.273 1.00 0.00 H new ATOM 0 HE2 HIS A 602 4.353 5.828 -11.110 1.00 0.00 H new ATOM 283 N LEU A 603 5.465 2.896 -5.228 1.00 0.00 N ATOM 284 CA LEU A 603 4.676 1.716 -4.894 1.00 0.00 C ATOM 285 C LEU A 603 3.636 2.033 -3.828 1.00 0.00 C ATOM 286 O LEU A 603 2.515 1.527 -3.881 1.00 0.00 O ATOM 287 CB LEU A 603 5.586 0.571 -4.449 1.00 0.00 C ATOM 288 CG LEU A 603 6.570 0.095 -5.523 1.00 0.00 C ATOM 289 CD1 LEU A 603 7.708 -0.695 -4.907 1.00 0.00 C ATOM 290 CD2 LEU A 603 5.846 -0.747 -6.563 1.00 0.00 C ATOM 0 H LEU A 603 6.456 2.813 -5.000 1.00 0.00 H new ATOM 0 HA LEU A 603 4.143 1.400 -5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.149 0.890 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 603 4.967 -0.271 -4.141 1.00 0.00 H new ATOM 0 HG LEU A 603 6.993 0.974 -6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 603 8.391 -1.021 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.244 -0.066 -4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.308 -1.567 -4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 603 6.556 -1.079 -7.321 1.00 0.00 H new ATOM 0 HD22 LEU A 603 5.398 -1.615 -6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 603 5.065 -0.151 -7.034 1.00 0.00 H new ATOM 302 N VAL A 604 4.006 2.876 -2.871 1.00 0.00 N ATOM 303 CA VAL A 604 3.087 3.284 -1.816 1.00 0.00 C ATOM 304 C VAL A 604 1.846 3.945 -2.413 1.00 0.00 C ATOM 305 O VAL A 604 0.718 3.607 -2.053 1.00 0.00 O ATOM 306 CB VAL A 604 3.764 4.256 -0.820 1.00 0.00 C ATOM 307 CG1 VAL A 604 2.735 4.940 0.070 1.00 0.00 C ATOM 308 CG2 VAL A 604 4.783 3.518 0.034 1.00 0.00 C ATOM 0 H VAL A 604 4.936 3.290 -2.804 1.00 0.00 H new ATOM 0 HA VAL A 604 2.793 2.385 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 604 4.276 5.023 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 604 3.242 5.616 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 604 2.038 5.506 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.187 4.188 0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.250 4.216 0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.284 2.728 0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 604 5.547 3.080 -0.608 1.00 0.00 H new ATOM 318 N HIS A 605 2.060 4.876 -3.339 1.00 0.00 N ATOM 319 CA HIS A 605 0.949 5.568 -3.992 1.00 0.00 C ATOM 320 C HIS A 605 0.120 4.601 -4.823 1.00 0.00 C ATOM 321 O HIS A 605 -1.098 4.719 -4.876 1.00 0.00 O ATOM 322 CB HIS A 605 1.421 6.737 -4.860 1.00 0.00 C ATOM 323 CG HIS A 605 1.964 7.883 -4.065 1.00 0.00 C ATOM 324 ND1 HIS A 605 3.226 8.182 -3.685 1.00 0.00 N flip ATOM 325 CD2 HIS A 605 1.167 8.878 -3.547 1.00 0.00 C flip ATOM 326 CE1 HIS A 605 3.167 9.337 -2.949 1.00 0.00 C flip ATOM 327 NE2 HIS A 605 1.913 9.736 -2.882 1.00 0.00 N flip ATOM 0 H HIS A 605 2.985 5.168 -3.653 1.00 0.00 H new ATOM 0 HA HIS A 605 0.326 5.979 -3.197 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.190 6.383 -5.547 1.00 0.00 H new ATOM 0 HB3 HIS A 605 0.588 7.088 -5.468 1.00 0.00 H new ATOM 0 HD1 HIS A 605 4.066 7.647 -3.905 1.00 0.00 H new ATOM 0 HD2 HIS A 605 0.096 8.945 -3.667 1.00 0.00 H new ATOM 0 HE1 HIS A 605 4.011 9.838 -2.498 1.00 0.00 H new ATOM 336 N LYS A 606 0.788 3.660 -5.486 1.00 0.00 N ATOM 337 CA LYS A 606 0.096 2.626 -6.249 1.00 0.00 C ATOM 338 C LYS A 606 -0.816 1.811 -5.337 1.00 0.00 C ATOM 339 O LYS A 606 -1.936 1.464 -5.708 1.00 0.00 O ATOM 340 CB LYS A 606 1.099 1.701 -6.941 1.00 0.00 C ATOM 341 CG LYS A 606 1.956 2.399 -7.984 1.00 0.00 C ATOM 342 CD LYS A 606 2.935 1.440 -8.645 1.00 0.00 C ATOM 343 CE LYS A 606 2.219 0.292 -9.345 1.00 0.00 C ATOM 344 NZ LYS A 606 1.279 0.774 -10.391 1.00 0.00 N ATOM 0 H LYS A 606 1.805 3.593 -5.510 1.00 0.00 H new ATOM 0 HA LYS A 606 -0.510 3.116 -7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 606 1.749 1.257 -6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 606 0.557 0.883 -7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 606 1.313 2.843 -8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 606 2.507 3.215 -7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 606 3.544 1.983 -9.368 1.00 0.00 H new ATOM 0 HD3 LYS A 606 3.615 1.039 -7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 606 2.956 -0.372 -9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 606 1.671 -0.296 -8.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 0.942 -0.033 -10.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 0.468 1.243 -9.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 1.768 1.449 -11.013 1.00 0.00 H new ATOM 358 N LEU A 607 -0.323 1.515 -4.142 1.00 0.00 N ATOM 359 CA LEU A 607 -1.102 0.801 -3.141 1.00 0.00 C ATOM 360 C LEU A 607 -2.312 1.639 -2.732 1.00 0.00 C ATOM 361 O LEU A 607 -3.434 1.134 -2.660 1.00 0.00 O ATOM 362 CB LEU A 607 -0.206 0.471 -1.939 1.00 0.00 C ATOM 363 CG LEU A 607 -0.806 -0.467 -0.889 1.00 0.00 C ATOM 364 CD1 LEU A 607 0.299 -1.231 -0.180 1.00 0.00 C ATOM 365 CD2 LEU A 607 -1.626 0.317 0.122 1.00 0.00 C ATOM 0 H LEU A 607 0.620 1.761 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 607 -1.474 -0.137 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 607 0.716 0.024 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 607 0.067 1.405 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 607 -1.463 -1.176 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 607 -0.138 -1.896 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 607 0.859 -1.819 -0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 607 0.971 -0.527 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -2.044 -0.367 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -0.987 1.045 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.435 0.837 -0.391 1.00 0.00 H new ATOM 377 N VAL A 608 -2.077 2.923 -2.468 1.00 0.00 N ATOM 378 CA VAL A 608 -3.159 3.876 -2.218 1.00 0.00 C ATOM 379 C VAL A 608 -4.144 3.906 -3.389 1.00 0.00 C ATOM 380 O VAL A 608 -5.357 3.911 -3.193 1.00 0.00 O ATOM 381 CB VAL A 608 -2.602 5.299 -1.993 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.726 6.310 -1.811 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.665 5.321 -0.797 1.00 0.00 C ATOM 0 H VAL A 608 -1.143 3.330 -2.421 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.679 3.546 -1.318 1.00 0.00 H new ATOM 0 HB VAL A 608 -2.039 5.583 -2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -3.302 7.302 -1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -4.354 6.320 -2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -4.328 6.033 -0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -1.282 6.331 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -2.207 5.008 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.833 4.639 -0.974 1.00 0.00 H new ATOM 393 N GLN A 609 -3.604 3.920 -4.603 1.00 0.00 N ATOM 394 CA GLN A 609 -4.405 3.950 -5.824 1.00 0.00 C ATOM 395 C GLN A 609 -5.324 2.737 -5.894 1.00 0.00 C ATOM 396 O GLN A 609 -6.468 2.839 -6.333 1.00 0.00 O ATOM 397 CB GLN A 609 -3.483 4.018 -7.051 1.00 0.00 C ATOM 398 CG GLN A 609 -4.201 4.180 -8.384 1.00 0.00 C ATOM 399 CD GLN A 609 -4.388 2.868 -9.131 1.00 0.00 C ATOM 400 OE1 GLN A 609 -3.526 2.461 -9.913 1.00 0.00 O ATOM 401 NE2 GLN A 609 -5.507 2.200 -8.901 1.00 0.00 N ATOM 0 H GLN A 609 -2.598 3.911 -4.770 1.00 0.00 H new ATOM 0 HA GLN A 609 -5.034 4.840 -5.814 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.793 4.852 -6.923 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -2.882 3.109 -7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -5.177 4.633 -8.210 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -3.636 4.870 -9.011 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -6.196 2.570 -8.246 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -5.680 1.315 -9.378 1.00 0.00 H new ATOM 410 N ALA A 610 -4.811 1.590 -5.470 1.00 0.00 N ATOM 411 CA ALA A 610 -5.592 0.361 -5.449 1.00 0.00 C ATOM 412 C ALA A 610 -6.796 0.497 -4.521 1.00 0.00 C ATOM 413 O ALA A 610 -7.887 0.020 -4.834 1.00 0.00 O ATOM 414 CB ALA A 610 -4.727 -0.813 -5.022 1.00 0.00 C ATOM 0 H ALA A 610 -3.853 1.485 -5.135 1.00 0.00 H new ATOM 0 HA ALA A 610 -5.958 0.176 -6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -5.327 -1.723 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -3.901 -0.931 -5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -4.331 -0.629 -4.023 1.00 0.00 H new ATOM 420 N ILE A 611 -6.589 1.151 -3.384 1.00 0.00 N ATOM 421 CA ILE A 611 -7.654 1.340 -2.405 1.00 0.00 C ATOM 422 C ILE A 611 -8.588 2.474 -2.839 1.00 0.00 C ATOM 423 O ILE A 611 -9.795 2.422 -2.603 1.00 0.00 O ATOM 424 CB ILE A 611 -7.074 1.656 -0.971 1.00 0.00 C ATOM 425 CG1 ILE A 611 -6.357 0.440 -0.338 1.00 0.00 C ATOM 426 CG2 ILE A 611 -8.155 2.185 -0.027 1.00 0.00 C ATOM 427 CD1 ILE A 611 -5.282 0.834 0.654 1.00 0.00 C ATOM 0 H ILE A 611 -5.693 1.560 -3.117 1.00 0.00 H new ATOM 0 HA ILE A 611 -8.215 0.407 -2.352 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.328 2.438 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -7.093 -0.188 0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -5.910 -0.163 -1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -7.716 2.391 0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -8.577 3.103 -0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -8.943 1.439 0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -4.817 -0.063 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.526 1.437 0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -5.728 1.412 1.463 1.00 0.00 H new ATOM 439 N PHE A 612 -8.032 3.482 -3.500 1.00 0.00 N ATOM 440 CA PHE A 612 -8.787 4.673 -3.840 1.00 0.00 C ATOM 441 C PHE A 612 -8.286 5.234 -5.168 1.00 0.00 C ATOM 442 O PHE A 612 -7.377 6.069 -5.193 1.00 0.00 O ATOM 443 CB PHE A 612 -8.627 5.711 -2.725 1.00 0.00 C ATOM 444 CG PHE A 612 -9.792 6.650 -2.594 1.00 0.00 C ATOM 445 CD1 PHE A 612 -10.917 6.273 -1.882 1.00 0.00 C ATOM 446 CD2 PHE A 612 -9.766 7.904 -3.178 1.00 0.00 C ATOM 447 CE1 PHE A 612 -11.994 7.126 -1.753 1.00 0.00 C ATOM 448 CE2 PHE A 612 -10.841 8.763 -3.052 1.00 0.00 C ATOM 449 CZ PHE A 612 -11.956 8.373 -2.340 1.00 0.00 C ATOM 0 H PHE A 612 -7.060 3.495 -3.810 1.00 0.00 H new ATOM 0 HA PHE A 612 -9.843 4.425 -3.942 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -8.483 5.192 -1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -7.724 6.292 -2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -10.953 5.297 -1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -8.896 8.215 -3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -12.865 6.818 -1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -10.808 9.740 -3.511 1.00 0.00 H new ATOM 0 HZ PHE A 612 -12.797 9.043 -2.242 1.00 0.00 H new ATOM 459 N PRO A 613 -8.859 4.779 -6.294 1.00 0.00 N ATOM 460 CA PRO A 613 -8.350 5.140 -7.623 1.00 0.00 C ATOM 461 C PRO A 613 -8.694 6.573 -8.023 1.00 0.00 C ATOM 462 O PRO A 613 -7.902 7.240 -8.690 1.00 0.00 O ATOM 463 CB PRO A 613 -9.034 4.135 -8.560 1.00 0.00 C ATOM 464 CG PRO A 613 -10.275 3.698 -7.844 1.00 0.00 C ATOM 465 CD PRO A 613 -10.034 3.876 -6.361 1.00 0.00 C ATOM 0 HA PRO A 613 -7.261 5.100 -7.658 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -9.276 4.594 -9.519 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -8.382 3.287 -8.768 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -11.132 4.290 -8.166 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -10.503 2.657 -8.073 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -10.901 4.312 -5.865 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -9.833 2.923 -5.872 1.00 0.00 H new ATOM 473 N THR A 614 -9.868 7.037 -7.612 1.00 0.00 N ATOM 474 CA THR A 614 -10.351 8.368 -7.974 1.00 0.00 C ATOM 475 C THR A 614 -9.474 9.475 -7.387 1.00 0.00 C ATOM 476 O THR A 614 -9.430 9.658 -6.167 1.00 0.00 O ATOM 477 CB THR A 614 -11.805 8.560 -7.503 1.00 0.00 C ATOM 478 OG1 THR A 614 -11.916 8.196 -6.121 1.00 0.00 O ATOM 479 CG2 THR A 614 -12.757 7.712 -8.334 1.00 0.00 C ATOM 0 H THR A 614 -10.510 6.507 -7.022 1.00 0.00 H new ATOM 0 HA THR A 614 -10.305 8.440 -9.061 1.00 0.00 H new ATOM 0 HB THR A 614 -12.075 9.609 -7.629 1.00 0.00 H new ATOM 0 HG1 THR A 614 -11.203 8.633 -5.609 1.00 0.00 H new ATOM 0 HG21 THR A 614 -13.778 7.863 -7.984 1.00 0.00 H new ATOM 0 HG22 THR A 614 -12.685 8.005 -9.381 1.00 0.00 H new ATOM 0 HG23 THR A 614 -12.490 6.660 -8.232 1.00 0.00 H new ATOM 487 N PRO A 615 -8.759 10.227 -8.245 1.00 0.00 N ATOM 488 CA PRO A 615 -7.916 11.347 -7.817 1.00 0.00 C ATOM 489 C PRO A 615 -8.741 12.608 -7.567 1.00 0.00 C ATOM 490 O PRO A 615 -8.696 13.561 -8.348 1.00 0.00 O ATOM 491 CB PRO A 615 -6.958 11.563 -9.004 1.00 0.00 C ATOM 492 CG PRO A 615 -7.281 10.474 -9.996 1.00 0.00 C ATOM 493 CD PRO A 615 -8.696 10.059 -9.704 1.00 0.00 C ATOM 0 HA PRO A 615 -7.401 11.137 -6.879 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -7.099 12.549 -9.446 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -5.918 11.504 -8.683 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -7.183 10.836 -11.019 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -6.597 9.632 -9.889 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -9.422 10.687 -10.220 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -8.892 9.030 -10.007 1.00 0.00 H new ATOM 501 N ASP A 616 -9.484 12.610 -6.475 1.00 0.00 N ATOM 502 CA ASP A 616 -10.342 13.742 -6.131 1.00 0.00 C ATOM 503 C ASP A 616 -9.562 14.730 -5.275 1.00 0.00 C ATOM 504 O ASP A 616 -8.977 14.354 -4.260 1.00 0.00 O ATOM 505 CB ASP A 616 -11.593 13.267 -5.372 1.00 0.00 C ATOM 506 CG ASP A 616 -12.496 14.418 -4.978 1.00 0.00 C ATOM 507 OD1 ASP A 616 -13.261 14.903 -5.838 1.00 0.00 O ATOM 508 OD2 ASP A 616 -12.447 14.841 -3.804 1.00 0.00 O ATOM 0 H ASP A 616 -9.514 11.841 -5.806 1.00 0.00 H new ATOM 0 HA ASP A 616 -10.663 14.229 -7.052 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -12.150 12.568 -5.995 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -11.288 12.724 -4.477 1.00 0.00 H new ATOM 513 N PRO A 617 -9.533 16.012 -5.692 1.00 0.00 N ATOM 514 CA PRO A 617 -8.752 17.057 -5.015 1.00 0.00 C ATOM 515 C PRO A 617 -9.123 17.229 -3.544 1.00 0.00 C ATOM 516 O PRO A 617 -8.264 17.543 -2.719 1.00 0.00 O ATOM 517 CB PRO A 617 -9.085 18.338 -5.804 1.00 0.00 C ATOM 518 CG PRO A 617 -10.317 18.016 -6.575 1.00 0.00 C ATOM 519 CD PRO A 617 -10.243 16.545 -6.869 1.00 0.00 C ATOM 0 HA PRO A 617 -7.691 16.807 -5.005 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -9.250 19.181 -5.133 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -8.266 18.615 -6.468 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -11.212 18.255 -6.000 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -10.365 18.597 -7.496 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -11.234 16.104 -6.978 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -9.701 16.344 -7.793 1.00 0.00 H new ATOM 527 N ALA A 618 -10.391 17.038 -3.203 1.00 0.00 N ATOM 528 CA ALA A 618 -10.817 17.149 -1.817 1.00 0.00 C ATOM 529 C ALA A 618 -10.428 15.901 -1.043 1.00 0.00 C ATOM 530 O ALA A 618 -9.917 15.989 0.071 1.00 0.00 O ATOM 531 CB ALA A 618 -12.316 17.380 -1.734 1.00 0.00 C ATOM 0 H ALA A 618 -11.135 16.808 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 618 -10.314 18.006 -1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -12.614 17.460 -0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -12.572 18.302 -2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -12.839 16.544 -2.198 1.00 0.00 H new ATOM 537 N ALA A 619 -10.687 14.743 -1.639 1.00 0.00 N ATOM 538 CA ALA A 619 -10.292 13.464 -1.055 1.00 0.00 C ATOM 539 C ALA A 619 -8.788 13.410 -0.802 1.00 0.00 C ATOM 540 O ALA A 619 -8.334 12.789 0.157 1.00 0.00 O ATOM 541 CB ALA A 619 -10.720 12.316 -1.959 1.00 0.00 C ATOM 0 H ALA A 619 -11.172 14.662 -2.533 1.00 0.00 H new ATOM 0 HA ALA A 619 -10.796 13.364 -0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -10.419 11.369 -1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -11.803 12.332 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -10.244 12.424 -2.934 1.00 0.00 H new ATOM 547 N LEU A 620 -8.023 14.071 -1.663 1.00 0.00 N ATOM 548 CA LEU A 620 -6.572 14.154 -1.508 1.00 0.00 C ATOM 549 C LEU A 620 -6.205 14.846 -0.195 1.00 0.00 C ATOM 550 O LEU A 620 -5.202 14.514 0.443 1.00 0.00 O ATOM 551 CB LEU A 620 -5.967 14.926 -2.686 1.00 0.00 C ATOM 552 CG LEU A 620 -4.901 14.179 -3.497 1.00 0.00 C ATOM 553 CD1 LEU A 620 -3.716 13.803 -2.621 1.00 0.00 C ATOM 554 CD2 LEU A 620 -5.493 12.943 -4.156 1.00 0.00 C ATOM 0 H LEU A 620 -8.385 14.561 -2.481 1.00 0.00 H new ATOM 0 HA LEU A 620 -6.169 13.141 -1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -6.774 15.214 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -5.527 15.847 -2.304 1.00 0.00 H new ATOM 0 HG LEU A 620 -4.545 14.848 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -2.974 13.274 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -3.270 14.706 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -4.054 13.158 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -4.719 12.429 -4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -5.884 12.274 -3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -6.300 13.239 -4.826 1.00 0.00 H new ATOM 566 N LYS A 621 -7.028 15.805 0.202 1.00 0.00 N ATOM 567 CA LYS A 621 -6.809 16.563 1.429 1.00 0.00 C ATOM 568 C LYS A 621 -7.749 16.085 2.538 1.00 0.00 C ATOM 569 O LYS A 621 -7.960 16.782 3.531 1.00 0.00 O ATOM 570 CB LYS A 621 -7.022 18.062 1.175 1.00 0.00 C ATOM 571 CG LYS A 621 -6.109 18.635 0.101 1.00 0.00 C ATOM 572 CD LYS A 621 -6.240 20.148 -0.002 1.00 0.00 C ATOM 573 CE LYS A 621 -7.636 20.575 -0.432 1.00 0.00 C ATOM 574 NZ LYS A 621 -7.950 20.160 -1.826 1.00 0.00 N ATOM 0 H LYS A 621 -7.864 16.080 -0.314 1.00 0.00 H new ATOM 0 HA LYS A 621 -5.780 16.398 1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -8.059 18.229 0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -6.860 18.606 2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -5.075 18.374 0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -6.350 18.183 -0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -6.005 20.598 0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -5.509 20.527 -0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -8.371 20.143 0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -7.724 21.658 -0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -8.860 20.573 -2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -7.200 20.493 -2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -8.010 19.123 -1.874 1.00 0.00 H new ATOM 588 N ASP A 622 -8.301 14.892 2.364 1.00 0.00 N ATOM 589 CA ASP A 622 -9.285 14.345 3.297 1.00 0.00 C ATOM 590 C ASP A 622 -8.612 13.361 4.250 1.00 0.00 C ATOM 591 O ASP A 622 -7.827 12.508 3.830 1.00 0.00 O ATOM 592 CB ASP A 622 -10.421 13.657 2.519 1.00 0.00 C ATOM 593 CG ASP A 622 -11.423 12.952 3.411 1.00 0.00 C ATOM 594 OD1 ASP A 622 -11.830 13.540 4.437 1.00 0.00 O ATOM 595 OD2 ASP A 622 -11.820 11.813 3.084 1.00 0.00 O ATOM 0 H ASP A 622 -8.084 14.278 1.579 1.00 0.00 H new ATOM 0 HA ASP A 622 -9.711 15.158 3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -10.942 14.402 1.918 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -9.990 12.934 1.827 1.00 0.00 H new ATOM 600 N ARG A 623 -8.937 13.497 5.541 1.00 0.00 N ATOM 601 CA ARG A 623 -8.349 12.681 6.602 1.00 0.00 C ATOM 602 C ARG A 623 -8.518 11.189 6.331 1.00 0.00 C ATOM 603 O ARG A 623 -7.623 10.398 6.634 1.00 0.00 O ATOM 604 CB ARG A 623 -8.961 13.041 7.959 1.00 0.00 C ATOM 605 CG ARG A 623 -8.532 14.403 8.492 1.00 0.00 C ATOM 606 CD ARG A 623 -7.028 14.468 8.710 1.00 0.00 C ATOM 607 NE ARG A 623 -6.563 13.438 9.636 1.00 0.00 N ATOM 608 CZ ARG A 623 -5.376 12.843 9.555 1.00 0.00 C ATOM 609 NH1 ARG A 623 -4.538 13.135 8.565 1.00 0.00 N ATOM 610 NH2 ARG A 623 -5.031 11.941 10.462 1.00 0.00 N ATOM 0 H ARG A 623 -9.617 14.179 5.877 1.00 0.00 H new ATOM 0 HA ARG A 623 -7.281 12.897 6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -10.047 13.022 7.872 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -8.686 12.275 8.684 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -8.833 15.181 7.790 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -9.046 14.605 9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -6.518 14.352 7.754 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -6.760 15.451 9.097 1.00 0.00 H new ATOM 0 HE ARG A 623 -7.188 13.158 10.392 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -4.803 13.821 7.858 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -3.630 12.673 8.512 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -5.674 11.706 11.218 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -4.122 11.482 10.405 1.00 0.00 H new ATOM 624 N ARG A 624 -9.666 10.809 5.775 1.00 0.00 N ATOM 625 CA ARG A 624 -9.934 9.422 5.420 1.00 0.00 C ATOM 626 C ARG A 624 -8.827 8.860 4.533 1.00 0.00 C ATOM 627 O ARG A 624 -8.292 7.782 4.805 1.00 0.00 O ATOM 628 CB ARG A 624 -11.282 9.333 4.699 1.00 0.00 C ATOM 629 CG ARG A 624 -11.440 8.114 3.805 1.00 0.00 C ATOM 630 CD ARG A 624 -12.747 8.158 3.037 1.00 0.00 C ATOM 631 NE ARG A 624 -12.858 9.363 2.214 1.00 0.00 N ATOM 632 CZ ARG A 624 -13.590 9.442 1.103 1.00 0.00 C ATOM 633 NH1 ARG A 624 -14.300 8.396 0.691 1.00 0.00 N ATOM 634 NH2 ARG A 624 -13.621 10.575 0.410 1.00 0.00 N ATOM 0 H ARG A 624 -10.430 11.450 5.560 1.00 0.00 H new ATOM 0 HA ARG A 624 -9.967 8.828 6.333 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -12.078 9.327 5.443 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -11.417 10.230 4.095 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -10.606 8.064 3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -11.402 7.209 4.411 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -12.824 7.276 2.401 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.581 8.119 3.738 1.00 0.00 H new ATOM 0 HE ARG A 624 -12.344 10.193 2.509 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -14.286 7.528 1.226 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -14.858 8.462 -0.160 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -13.085 11.382 0.728 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -14.181 10.637 -0.441 1.00 0.00 H new ATOM 648 N MET A 625 -8.468 9.594 3.482 1.00 0.00 N ATOM 649 CA MET A 625 -7.417 9.144 2.587 1.00 0.00 C ATOM 650 C MET A 625 -6.078 9.088 3.315 1.00 0.00 C ATOM 651 O MET A 625 -5.332 8.129 3.161 1.00 0.00 O ATOM 652 CB MET A 625 -7.319 10.011 1.319 1.00 0.00 C ATOM 653 CG MET A 625 -6.116 9.659 0.445 1.00 0.00 C ATOM 654 SD MET A 625 -5.988 10.678 -1.039 1.00 0.00 S ATOM 655 CE MET A 625 -7.433 10.145 -1.950 1.00 0.00 C ATOM 0 H MET A 625 -8.886 10.491 3.235 1.00 0.00 H new ATOM 0 HA MET A 625 -7.679 8.137 2.262 1.00 0.00 H new ATOM 0 HB2 MET A 625 -8.232 9.894 0.735 1.00 0.00 H new ATOM 0 HB3 MET A 625 -7.257 11.060 1.607 1.00 0.00 H new ATOM 0 HG2 MET A 625 -5.204 9.769 1.032 1.00 0.00 H new ATOM 0 HG3 MET A 625 -6.182 8.611 0.153 1.00 0.00 H new ATOM 0 HE1 MET A 625 -7.147 9.894 -2.971 1.00 0.00 H new ATOM 0 HE2 MET A 625 -7.864 9.268 -1.468 1.00 0.00 H new ATOM 0 HE3 MET A 625 -8.169 10.948 -1.967 1.00 0.00 H new ATOM 665 N GLU A 626 -5.804 10.082 4.156 1.00 0.00 N ATOM 666 CA GLU A 626 -4.514 10.174 4.820 1.00 0.00 C ATOM 667 C GLU A 626 -4.303 8.993 5.760 1.00 0.00 C ATOM 668 O GLU A 626 -3.198 8.461 5.859 1.00 0.00 O ATOM 669 CB GLU A 626 -4.390 11.493 5.578 1.00 0.00 C ATOM 670 CG GLU A 626 -4.552 12.717 4.692 1.00 0.00 C ATOM 671 CD GLU A 626 -4.182 14.000 5.401 1.00 0.00 C ATOM 672 OE1 GLU A 626 -4.999 14.507 6.196 1.00 0.00 O ATOM 673 OE2 GLU A 626 -3.060 14.502 5.181 1.00 0.00 O ATOM 0 H GLU A 626 -6.457 10.830 4.391 1.00 0.00 H new ATOM 0 HA GLU A 626 -3.737 10.144 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.142 11.522 6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -3.416 11.533 6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -3.929 12.604 3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.585 12.780 4.350 1.00 0.00 H new ATOM 680 N ASN A 627 -5.365 8.589 6.451 1.00 0.00 N ATOM 681 CA ASN A 627 -5.302 7.429 7.341 1.00 0.00 C ATOM 682 C ASN A 627 -4.923 6.173 6.565 1.00 0.00 C ATOM 683 O ASN A 627 -4.056 5.406 6.988 1.00 0.00 O ATOM 684 CB ASN A 627 -6.640 7.194 8.048 1.00 0.00 C ATOM 685 CG ASN A 627 -6.896 8.145 9.205 1.00 0.00 C ATOM 686 OD1 ASN A 627 -6.332 9.342 9.145 1.00 0.00 O flip ATOM 687 ND2 ASN A 627 -7.597 7.797 10.155 1.00 0.00 N flip ATOM 0 H ASN A 627 -6.277 9.044 6.414 1.00 0.00 H new ATOM 0 HA ASN A 627 -4.539 7.640 8.090 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -7.447 7.294 7.322 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -6.670 6.169 8.418 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -8.015 6.867 10.166 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -7.760 8.439 10.931 1.00 0.00 H new ATOM 694 N LEU A 628 -5.582 5.962 5.433 1.00 0.00 N ATOM 695 CA LEU A 628 -5.314 4.784 4.608 1.00 0.00 C ATOM 696 C LEU A 628 -3.915 4.873 3.989 1.00 0.00 C ATOM 697 O LEU A 628 -3.214 3.868 3.883 1.00 0.00 O ATOM 698 CB LEU A 628 -6.438 4.544 3.557 1.00 0.00 C ATOM 699 CG LEU A 628 -6.380 5.322 2.232 1.00 0.00 C ATOM 700 CD1 LEU A 628 -5.480 4.621 1.224 1.00 0.00 C ATOM 701 CD2 LEU A 628 -7.791 5.470 1.673 1.00 0.00 C ATOM 0 H LEU A 628 -6.301 6.584 5.064 1.00 0.00 H new ATOM 0 HA LEU A 628 -5.324 3.902 5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.446 3.481 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -7.392 4.771 4.034 1.00 0.00 H new ATOM 0 HG LEU A 628 -5.958 6.309 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -5.458 5.193 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -4.471 4.546 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -5.866 3.622 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -7.754 6.021 0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -8.218 4.483 1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -8.410 6.012 2.388 1.00 0.00 H new ATOM 713 N VAL A 629 -3.506 6.079 3.590 1.00 0.00 N ATOM 714 CA VAL A 629 -2.167 6.289 3.039 1.00 0.00 C ATOM 715 C VAL A 629 -1.110 6.005 4.106 1.00 0.00 C ATOM 716 O VAL A 629 -0.055 5.435 3.823 1.00 0.00 O ATOM 717 CB VAL A 629 -1.973 7.721 2.489 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.559 7.908 1.964 1.00 0.00 C ATOM 719 CG2 VAL A 629 -2.977 8.020 1.389 1.00 0.00 C ATOM 0 H VAL A 629 -4.080 6.921 3.638 1.00 0.00 H new ATOM 0 HA VAL A 629 -2.053 5.597 2.205 1.00 0.00 H new ATOM 0 HB VAL A 629 -2.139 8.418 3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.444 8.922 1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 629 0.154 7.742 2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -0.371 7.194 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -2.820 9.033 1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.844 7.310 0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -3.988 7.931 1.786 1.00 0.00 H new ATOM 729 N ALA A 630 -1.397 6.422 5.336 1.00 0.00 N ATOM 730 CA ALA A 630 -0.539 6.117 6.473 1.00 0.00 C ATOM 731 C ALA A 630 -0.335 4.608 6.604 1.00 0.00 C ATOM 732 O ALA A 630 0.763 4.149 6.931 1.00 0.00 O ATOM 733 CB ALA A 630 -1.112 6.713 7.754 1.00 0.00 C ATOM 0 H ALA A 630 -2.222 6.975 5.570 1.00 0.00 H new ATOM 0 HA ALA A 630 0.437 6.571 6.302 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -0.457 6.474 8.591 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.187 7.795 7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -2.102 6.296 7.938 1.00 0.00 H new ATOM 739 N TYR A 631 -1.392 3.838 6.339 1.00 0.00 N ATOM 740 CA TYR A 631 -1.292 2.381 6.346 1.00 0.00 C ATOM 741 C TYR A 631 -0.359 1.913 5.228 1.00 0.00 C ATOM 742 O TYR A 631 0.396 0.958 5.397 1.00 0.00 O ATOM 743 CB TYR A 631 -2.658 1.691 6.206 1.00 0.00 C ATOM 744 CG TYR A 631 -2.565 0.188 6.360 1.00 0.00 C ATOM 745 CD1 TYR A 631 -1.987 -0.366 7.496 1.00 0.00 C ATOM 746 CD2 TYR A 631 -3.035 -0.675 5.376 1.00 0.00 C ATOM 747 CE1 TYR A 631 -1.879 -1.731 7.649 1.00 0.00 C ATOM 748 CE2 TYR A 631 -2.933 -2.043 5.527 1.00 0.00 C ATOM 749 CZ TYR A 631 -2.351 -2.566 6.662 1.00 0.00 C ATOM 750 OH TYR A 631 -2.239 -3.929 6.813 1.00 0.00 O ATOM 0 H TYR A 631 -2.321 4.198 6.118 1.00 0.00 H new ATOM 0 HA TYR A 631 -0.884 2.096 7.316 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.341 2.089 6.957 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -3.083 1.928 5.231 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -1.616 0.285 8.273 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -3.486 -0.269 4.482 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -1.426 -2.143 8.539 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -3.308 -2.702 4.758 1.00 0.00 H new ATOM 0 HH TYR A 631 -2.272 -4.156 7.766 1.00 0.00 H new ATOM 760 N ALA A 632 -0.419 2.593 4.084 1.00 0.00 N ATOM 761 CA ALA A 632 0.428 2.258 2.945 1.00 0.00 C ATOM 762 C ALA A 632 1.901 2.430 3.315 1.00 0.00 C ATOM 763 O ALA A 632 2.748 1.628 2.927 1.00 0.00 O ATOM 764 CB ALA A 632 0.068 3.107 1.731 1.00 0.00 C ATOM 0 H ALA A 632 -1.047 3.380 3.923 1.00 0.00 H new ATOM 0 HA ALA A 632 0.258 1.214 2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 632 0.714 2.838 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -0.972 2.929 1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.205 4.161 1.971 1.00 0.00 H new ATOM 770 N LYS A 633 2.204 3.486 4.070 1.00 0.00 N ATOM 771 CA LYS A 633 3.549 3.695 4.595 1.00 0.00 C ATOM 772 C LYS A 633 3.928 2.589 5.578 1.00 0.00 C ATOM 773 O LYS A 633 5.072 2.132 5.601 1.00 0.00 O ATOM 774 CB LYS A 633 3.656 5.060 5.287 1.00 0.00 C ATOM 775 CG LYS A 633 4.464 6.089 4.507 1.00 0.00 C ATOM 776 CD LYS A 633 3.805 6.438 3.182 1.00 0.00 C ATOM 777 CE LYS A 633 2.620 7.374 3.369 1.00 0.00 C ATOM 778 NZ LYS A 633 3.021 8.676 3.965 1.00 0.00 N ATOM 0 H LYS A 633 1.534 4.209 4.331 1.00 0.00 H new ATOM 0 HA LYS A 633 4.241 3.669 3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 633 2.652 5.451 5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 633 4.111 4.924 6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 633 4.577 6.993 5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 633 5.466 5.701 4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 633 4.537 6.906 2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.472 5.524 2.690 1.00 0.00 H new ATOM 0 HE2 LYS A 633 2.142 7.549 2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 633 1.879 6.896 4.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 2.273 9.379 3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 3.165 8.560 4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 3.906 9.001 3.526 1.00 0.00 H new ATOM 792 N LYS A 634 2.969 2.183 6.407 1.00 0.00 N ATOM 793 CA LYS A 634 3.169 1.071 7.329 1.00 0.00 C ATOM 794 C LYS A 634 3.552 -0.175 6.539 1.00 0.00 C ATOM 795 O LYS A 634 4.431 -0.931 6.943 1.00 0.00 O ATOM 796 CB LYS A 634 1.896 0.826 8.158 1.00 0.00 C ATOM 797 CG LYS A 634 2.079 -0.097 9.364 1.00 0.00 C ATOM 798 CD LYS A 634 2.137 -1.572 8.979 1.00 0.00 C ATOM 799 CE LYS A 634 2.275 -2.459 10.207 1.00 0.00 C ATOM 800 NZ LYS A 634 2.287 -3.906 9.863 1.00 0.00 N ATOM 0 H LYS A 634 2.044 2.610 6.458 1.00 0.00 H new ATOM 0 HA LYS A 634 3.976 1.313 8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 634 1.518 1.786 8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 634 1.132 0.401 7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 634 2.997 0.173 9.886 1.00 0.00 H new ATOM 0 HG3 LYS A 634 1.257 0.059 10.063 1.00 0.00 H new ATOM 0 HD2 LYS A 634 1.234 -1.843 8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 634 2.979 -1.742 8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 634 3.195 -2.206 10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 634 1.451 -2.258 10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 1.945 -4.459 10.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 1.667 -4.073 9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 3.257 -4.199 9.628 1.00 0.00 H new ATOM 814 N VAL A 635 2.888 -0.364 5.403 1.00 0.00 N ATOM 815 CA VAL A 635 3.215 -1.452 4.490 1.00 0.00 C ATOM 816 C VAL A 635 4.693 -1.402 4.100 1.00 0.00 C ATOM 817 O VAL A 635 5.403 -2.391 4.238 1.00 0.00 O ATOM 818 CB VAL A 635 2.331 -1.418 3.219 1.00 0.00 C ATOM 819 CG1 VAL A 635 2.927 -2.273 2.112 1.00 0.00 C ATOM 820 CG2 VAL A 635 0.920 -1.895 3.534 1.00 0.00 C ATOM 0 H VAL A 635 2.116 0.226 5.092 1.00 0.00 H new ATOM 0 HA VAL A 635 3.015 -2.387 5.014 1.00 0.00 H new ATOM 0 HB VAL A 635 2.290 -0.385 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 635 2.284 -2.229 1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 635 3.918 -1.898 1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 635 3.006 -3.305 2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 635 0.315 -1.864 2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 635 0.957 -2.917 3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.477 -1.246 4.289 1.00 0.00 H new ATOM 830 N GLU A 636 5.156 -0.236 3.669 1.00 0.00 N ATOM 831 CA GLU A 636 6.545 -0.053 3.277 1.00 0.00 C ATOM 832 C GLU A 636 7.489 -0.377 4.439 1.00 0.00 C ATOM 833 O GLU A 636 8.450 -1.132 4.278 1.00 0.00 O ATOM 834 CB GLU A 636 6.731 1.386 2.778 1.00 0.00 C ATOM 835 CG GLU A 636 8.155 1.905 2.849 1.00 0.00 C ATOM 836 CD GLU A 636 9.151 1.067 2.069 1.00 0.00 C ATOM 837 OE1 GLU A 636 8.799 0.569 0.987 1.00 0.00 O ATOM 838 OE2 GLU A 636 10.296 0.906 2.550 1.00 0.00 O ATOM 0 H GLU A 636 4.583 0.603 3.582 1.00 0.00 H new ATOM 0 HA GLU A 636 6.794 -0.742 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 636 6.389 1.444 1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 636 6.090 2.045 3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 636 8.179 2.927 2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 636 8.466 1.944 3.893 1.00 0.00 H new ATOM 845 N GLY A 637 7.200 0.177 5.611 1.00 0.00 N ATOM 846 CA GLY A 637 8.025 -0.090 6.781 1.00 0.00 C ATOM 847 C GLY A 637 8.055 -1.560 7.141 1.00 0.00 C ATOM 848 O GLY A 637 9.115 -2.117 7.427 1.00 0.00 O ATOM 0 H GLY A 637 6.413 0.804 5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 637 9.041 0.256 6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 637 7.646 0.481 7.628 1.00 0.00 H new ATOM 852 N ASP A 638 6.887 -2.182 7.135 1.00 0.00 N ATOM 853 CA ASP A 638 6.749 -3.597 7.465 1.00 0.00 C ATOM 854 C ASP A 638 7.475 -4.482 6.451 1.00 0.00 C ATOM 855 O ASP A 638 8.262 -5.351 6.830 1.00 0.00 O ATOM 856 CB ASP A 638 5.265 -3.954 7.518 1.00 0.00 C ATOM 857 CG ASP A 638 4.996 -5.336 8.064 1.00 0.00 C ATOM 858 OD1 ASP A 638 5.404 -6.332 7.434 1.00 0.00 O ATOM 859 OD2 ASP A 638 4.361 -5.423 9.137 1.00 0.00 O ATOM 0 H ASP A 638 6.006 -1.723 6.902 1.00 0.00 H new ATOM 0 HA ASP A 638 7.207 -3.776 8.438 1.00 0.00 H new ATOM 0 HB2 ASP A 638 4.745 -3.221 8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 638 4.846 -3.881 6.514 1.00 0.00 H new ATOM 864 N MET A 639 7.227 -4.237 5.164 1.00 0.00 N ATOM 865 CA MET A 639 7.822 -5.040 4.085 1.00 0.00 C ATOM 866 C MET A 639 9.341 -4.982 4.137 1.00 0.00 C ATOM 867 O MET A 639 10.002 -5.979 3.865 1.00 0.00 O ATOM 868 CB MET A 639 7.360 -4.579 2.685 1.00 0.00 C ATOM 869 CG MET A 639 5.850 -4.604 2.457 1.00 0.00 C ATOM 870 SD MET A 639 5.155 -6.266 2.497 1.00 0.00 S ATOM 871 CE MET A 639 3.471 -5.919 2.003 1.00 0.00 C ATOM 0 H MET A 639 6.617 -3.487 4.838 1.00 0.00 H new ATOM 0 HA MET A 639 7.480 -6.063 4.245 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.720 -3.564 2.517 1.00 0.00 H new ATOM 0 HB3 MET A 639 7.835 -5.213 1.936 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.364 -3.995 3.219 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.627 -4.147 1.493 1.00 0.00 H new ATOM 0 HE1 MET A 639 3.033 -6.810 1.554 1.00 0.00 H new ATOM 0 HE2 MET A 639 2.888 -5.629 2.877 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.465 -5.106 1.277 1.00 0.00 H new ATOM 881 N TYR A 640 9.874 -3.808 4.483 1.00 0.00 N ATOM 882 CA TYR A 640 11.314 -3.542 4.368 1.00 0.00 C ATOM 883 C TYR A 640 12.181 -4.655 4.972 1.00 0.00 C ATOM 884 O TYR A 640 13.236 -4.964 4.420 1.00 0.00 O ATOM 885 CB TYR A 640 11.703 -2.186 4.979 1.00 0.00 C ATOM 886 CG TYR A 640 13.120 -1.767 4.620 1.00 0.00 C ATOM 887 CD1 TYR A 640 13.523 -1.709 3.287 1.00 0.00 C ATOM 888 CD2 TYR A 640 14.063 -1.459 5.601 1.00 0.00 C ATOM 889 CE1 TYR A 640 14.813 -1.356 2.945 1.00 0.00 C ATOM 890 CE2 TYR A 640 15.355 -1.111 5.261 1.00 0.00 C ATOM 891 CZ TYR A 640 15.724 -1.060 3.934 1.00 0.00 C ATOM 892 OH TYR A 640 17.016 -0.721 3.594 1.00 0.00 O ATOM 0 H TYR A 640 9.331 -3.024 4.846 1.00 0.00 H new ATOM 0 HA TYR A 640 11.514 -3.512 3.297 1.00 0.00 H new ATOM 0 HB2 TYR A 640 11.005 -1.423 4.635 1.00 0.00 H new ATOM 0 HB3 TYR A 640 11.608 -2.240 6.064 1.00 0.00 H new ATOM 0 HD1 TYR A 640 12.813 -1.944 2.508 1.00 0.00 H new ATOM 0 HD2 TYR A 640 13.778 -1.493 6.642 1.00 0.00 H new ATOM 0 HE1 TYR A 640 15.106 -1.312 1.907 1.00 0.00 H new ATOM 0 HE2 TYR A 640 16.074 -0.879 6.033 1.00 0.00 H new ATOM 0 HH TYR A 640 17.532 -0.541 4.408 1.00 0.00 H new ATOM 902 N GLU A 641 11.755 -5.273 6.073 1.00 0.00 N ATOM 903 CA GLU A 641 12.582 -6.323 6.684 1.00 0.00 C ATOM 904 C GLU A 641 12.713 -7.524 5.743 1.00 0.00 C ATOM 905 O GLU A 641 13.819 -7.997 5.472 1.00 0.00 O ATOM 906 CB GLU A 641 12.027 -6.781 8.039 1.00 0.00 C ATOM 907 CG GLU A 641 12.528 -5.939 9.231 1.00 0.00 C ATOM 908 CD GLU A 641 11.909 -4.561 9.278 1.00 0.00 C ATOM 909 OE1 GLU A 641 12.476 -3.627 8.674 1.00 0.00 O ATOM 910 OE2 GLU A 641 10.859 -4.405 9.938 1.00 0.00 O ATOM 0 H GLU A 641 10.875 -5.078 6.550 1.00 0.00 H new ATOM 0 HA GLU A 641 13.567 -5.890 6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 641 10.938 -6.740 8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 641 12.302 -7.823 8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 641 12.305 -6.464 10.160 1.00 0.00 H new ATOM 0 HG3 GLU A 641 13.612 -5.843 9.172 1.00 0.00 H new ATOM 917 N SER A 642 11.583 -8.014 5.252 1.00 0.00 N ATOM 918 CA SER A 642 11.570 -9.102 4.278 1.00 0.00 C ATOM 919 C SER A 642 12.162 -8.651 2.938 1.00 0.00 C ATOM 920 O SER A 642 12.882 -9.405 2.281 1.00 0.00 O ATOM 921 CB SER A 642 10.142 -9.616 4.089 1.00 0.00 C ATOM 922 OG SER A 642 10.116 -10.787 3.293 1.00 0.00 O ATOM 0 H SER A 642 10.657 -7.674 5.513 1.00 0.00 H new ATOM 0 HA SER A 642 12.191 -9.913 4.659 1.00 0.00 H new ATOM 0 HB2 SER A 642 9.697 -9.825 5.062 1.00 0.00 H new ATOM 0 HB3 SER A 642 9.534 -8.842 3.621 1.00 0.00 H new ATOM 0 HG SER A 642 9.191 -11.093 3.191 1.00 0.00 H new ATOM 928 N ALA A 643 11.824 -7.419 2.544 1.00 0.00 N ATOM 929 CA ALA A 643 12.273 -6.774 1.293 1.00 0.00 C ATOM 930 C ALA A 643 13.791 -6.682 1.109 1.00 0.00 C ATOM 931 O ALA A 643 14.265 -5.853 0.331 1.00 0.00 O ATOM 932 CB ALA A 643 11.688 -5.380 1.201 1.00 0.00 C ATOM 0 H ALA A 643 11.212 -6.820 3.099 1.00 0.00 H new ATOM 0 HA ALA A 643 11.913 -7.425 0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 643 12.021 -4.906 0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 643 10.600 -5.441 1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 643 12.022 -4.788 2.053 1.00 0.00 H new ATOM 938 N ASN A 644 14.552 -7.502 1.807 1.00 0.00 N ATOM 939 CA ASN A 644 16.005 -7.441 1.734 1.00 0.00 C ATOM 940 C ASN A 644 16.495 -7.923 0.361 1.00 0.00 C ATOM 941 O ASN A 644 17.694 -7.920 0.084 1.00 0.00 O ATOM 942 CB ASN A 644 16.639 -8.295 2.846 1.00 0.00 C ATOM 943 CG ASN A 644 18.035 -7.810 3.227 1.00 0.00 C ATOM 944 OD1 ASN A 644 18.218 -6.494 3.303 1.00 0.00 O flip ATOM 945 ND2 ASN A 644 18.931 -8.612 3.485 1.00 0.00 N flip ATOM 0 H ASN A 644 14.191 -8.221 2.434 1.00 0.00 H new ATOM 0 HA ASN A 644 16.309 -6.403 1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 644 15.997 -8.275 3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 644 16.695 -9.332 2.516 1.00 0.00 H new ATOM 0 HD21 ASN A 644 18.754 -9.614 3.416 1.00 0.00 H new ATOM 0 HD22 ASN A 644 19.851 -8.275 3.768 1.00 0.00 H new ATOM 952 N SER A 645 15.559 -8.323 -0.502 1.00 0.00 N ATOM 953 CA SER A 645 15.882 -8.716 -1.862 1.00 0.00 C ATOM 954 C SER A 645 14.883 -8.107 -2.852 1.00 0.00 C ATOM 955 O SER A 645 13.714 -7.910 -2.508 1.00 0.00 O ATOM 956 CB SER A 645 15.902 -10.241 -1.990 1.00 0.00 C ATOM 957 OG SER A 645 14.688 -10.807 -1.530 1.00 0.00 O ATOM 0 H SER A 645 14.566 -8.381 -0.274 1.00 0.00 H new ATOM 0 HA SER A 645 16.876 -8.337 -2.101 1.00 0.00 H new ATOM 0 HB2 SER A 645 16.065 -10.520 -3.031 1.00 0.00 H new ATOM 0 HB3 SER A 645 16.736 -10.646 -1.417 1.00 0.00 H new ATOM 0 HG SER A 645 14.725 -11.782 -1.624 1.00 0.00 H new ATOM 963 N ARG A 646 15.340 -7.796 -4.062 1.00 0.00 N ATOM 964 CA ARG A 646 14.501 -7.106 -5.051 1.00 0.00 C ATOM 965 C ARG A 646 13.192 -7.851 -5.319 1.00 0.00 C ATOM 966 O ARG A 646 12.108 -7.257 -5.254 1.00 0.00 O ATOM 967 CB ARG A 646 15.264 -6.924 -6.367 1.00 0.00 C ATOM 968 CG ARG A 646 16.431 -5.949 -6.287 1.00 0.00 C ATOM 969 CD ARG A 646 15.962 -4.505 -6.152 1.00 0.00 C ATOM 970 NE ARG A 646 15.135 -4.080 -7.282 1.00 0.00 N ATOM 971 CZ ARG A 646 14.995 -2.809 -7.667 1.00 0.00 C ATOM 972 NH1 ARG A 646 15.666 -1.847 -7.047 1.00 0.00 N ATOM 973 NH2 ARG A 646 14.193 -2.505 -8.680 1.00 0.00 N ATOM 0 H ARG A 646 16.284 -8.008 -4.386 1.00 0.00 H new ATOM 0 HA ARG A 646 14.253 -6.131 -4.631 1.00 0.00 H new ATOM 0 HB2 ARG A 646 15.639 -7.894 -6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 646 14.568 -6.578 -7.131 1.00 0.00 H new ATOM 0 HG2 ARG A 646 17.061 -6.207 -5.435 1.00 0.00 H new ATOM 0 HG3 ARG A 646 17.047 -6.048 -7.180 1.00 0.00 H new ATOM 0 HD2 ARG A 646 15.394 -4.395 -5.228 1.00 0.00 H new ATOM 0 HD3 ARG A 646 16.829 -3.850 -6.073 1.00 0.00 H new ATOM 0 HE ARG A 646 14.635 -4.798 -7.807 1.00 0.00 H new ATOM 0 HH11 ARG A 646 16.291 -2.077 -6.274 1.00 0.00 H new ATOM 0 HH12 ARG A 646 15.557 -0.877 -7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 646 13.683 -3.243 -9.166 1.00 0.00 H new ATOM 0 HH22 ARG A 646 14.087 -1.534 -8.973 1.00 0.00 H new ATOM 987 N ASP A 647 13.294 -9.150 -5.592 1.00 0.00 N ATOM 988 CA ASP A 647 12.123 -9.962 -5.932 1.00 0.00 C ATOM 989 C ASP A 647 11.125 -9.986 -4.786 1.00 0.00 C ATOM 990 O ASP A 647 9.919 -9.856 -4.999 1.00 0.00 O ATOM 991 CB ASP A 647 12.534 -11.397 -6.272 1.00 0.00 C ATOM 992 CG ASP A 647 11.349 -12.258 -6.669 1.00 0.00 C ATOM 993 OD1 ASP A 647 10.691 -12.835 -5.773 1.00 0.00 O ATOM 994 OD2 ASP A 647 11.071 -12.366 -7.881 1.00 0.00 O ATOM 0 H ASP A 647 14.175 -9.665 -5.585 1.00 0.00 H new ATOM 0 HA ASP A 647 11.654 -9.507 -6.804 1.00 0.00 H new ATOM 0 HB2 ASP A 647 13.258 -11.382 -7.087 1.00 0.00 H new ATOM 0 HB3 ASP A 647 13.032 -11.843 -5.411 1.00 0.00 H new ATOM 999 N GLU A 648 11.640 -10.148 -3.574 1.00 0.00 N ATOM 1000 CA GLU A 648 10.799 -10.218 -2.384 1.00 0.00 C ATOM 1001 C GLU A 648 9.972 -8.948 -2.250 1.00 0.00 C ATOM 1002 O GLU A 648 8.759 -9.001 -2.055 1.00 0.00 O ATOM 1003 CB GLU A 648 11.651 -10.399 -1.131 1.00 0.00 C ATOM 1004 CG GLU A 648 10.858 -10.852 0.082 1.00 0.00 C ATOM 1005 CD GLU A 648 10.383 -12.282 -0.047 1.00 0.00 C ATOM 1006 OE1 GLU A 648 11.141 -13.193 0.346 1.00 0.00 O ATOM 1007 OE2 GLU A 648 9.258 -12.507 -0.538 1.00 0.00 O ATOM 0 H GLU A 648 12.639 -10.234 -3.388 1.00 0.00 H new ATOM 0 HA GLU A 648 10.135 -11.076 -2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 648 12.434 -11.129 -1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 648 12.147 -9.456 -0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 648 11.476 -10.755 0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 648 9.998 -10.196 0.217 1.00 0.00 H new ATOM 1014 N TYR A 649 10.647 -7.813 -2.388 1.00 0.00 N ATOM 1015 CA TYR A 649 10.003 -6.510 -2.247 1.00 0.00 C ATOM 1016 C TYR A 649 8.817 -6.383 -3.198 1.00 0.00 C ATOM 1017 O TYR A 649 7.718 -6.014 -2.780 1.00 0.00 O ATOM 1018 CB TYR A 649 11.017 -5.378 -2.493 1.00 0.00 C ATOM 1019 CG TYR A 649 10.495 -3.983 -2.194 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.570 -3.751 -1.179 1.00 0.00 C ATOM 1021 CD2 TYR A 649 10.935 -2.896 -2.939 1.00 0.00 C ATOM 1022 CE1 TYR A 649 9.101 -2.476 -0.921 1.00 0.00 C ATOM 1023 CE2 TYR A 649 10.469 -1.623 -2.686 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.554 -1.417 -1.680 1.00 0.00 C ATOM 1025 OH TYR A 649 9.082 -0.149 -1.446 1.00 0.00 O ATOM 0 H TYR A 649 11.644 -7.768 -2.598 1.00 0.00 H new ATOM 0 HA TYR A 649 9.629 -6.424 -1.227 1.00 0.00 H new ATOM 0 HB2 TYR A 649 11.900 -5.560 -1.880 1.00 0.00 H new ATOM 0 HB3 TYR A 649 11.338 -5.416 -3.534 1.00 0.00 H new ATOM 0 HD1 TYR A 649 9.214 -4.579 -0.585 1.00 0.00 H new ATOM 0 HD2 TYR A 649 11.654 -3.051 -3.730 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.384 -2.310 -0.130 1.00 0.00 H new ATOM 0 HE2 TYR A 649 10.822 -0.790 -3.276 1.00 0.00 H new ATOM 0 HH TYR A 649 9.366 0.147 -0.556 1.00 0.00 H new ATOM 1035 N TYR A 650 9.027 -6.712 -4.469 1.00 0.00 N ATOM 1036 CA TYR A 650 7.966 -6.615 -5.459 1.00 0.00 C ATOM 1037 C TYR A 650 6.863 -7.626 -5.173 1.00 0.00 C ATOM 1038 O TYR A 650 5.675 -7.321 -5.284 1.00 0.00 O ATOM 1039 CB TYR A 650 8.527 -6.834 -6.868 1.00 0.00 C ATOM 1040 CG TYR A 650 7.465 -6.787 -7.942 1.00 0.00 C ATOM 1041 CD1 TYR A 650 6.797 -5.605 -8.229 1.00 0.00 C ATOM 1042 CD2 TYR A 650 7.123 -7.926 -8.658 1.00 0.00 C ATOM 1043 CE1 TYR A 650 5.817 -5.559 -9.199 1.00 0.00 C ATOM 1044 CE2 TYR A 650 6.147 -7.887 -9.632 1.00 0.00 C ATOM 1045 CZ TYR A 650 5.495 -6.702 -9.897 1.00 0.00 C ATOM 1046 OH TYR A 650 4.518 -6.659 -10.864 1.00 0.00 O ATOM 0 H TYR A 650 9.919 -7.046 -4.834 1.00 0.00 H new ATOM 0 HA TYR A 650 7.540 -5.613 -5.400 1.00 0.00 H new ATOM 0 HB2 TYR A 650 9.279 -6.073 -7.076 1.00 0.00 H new ATOM 0 HB3 TYR A 650 9.031 -7.800 -6.906 1.00 0.00 H new ATOM 0 HD1 TYR A 650 7.048 -4.707 -7.684 1.00 0.00 H new ATOM 0 HD2 TYR A 650 7.629 -8.857 -8.449 1.00 0.00 H new ATOM 0 HE1 TYR A 650 5.305 -4.632 -9.410 1.00 0.00 H new ATOM 0 HE2 TYR A 650 5.895 -8.780 -10.184 1.00 0.00 H new ATOM 0 HH TYR A 650 4.413 -7.548 -11.263 1.00 0.00 H new ATOM 1056 N HIS A 651 7.274 -8.824 -4.780 1.00 0.00 N ATOM 1057 CA HIS A 651 6.353 -9.943 -4.610 1.00 0.00 C ATOM 1058 C HIS A 651 5.384 -9.674 -3.466 1.00 0.00 C ATOM 1059 O HIS A 651 4.181 -9.919 -3.585 1.00 0.00 O ATOM 1060 CB HIS A 651 7.125 -11.246 -4.354 1.00 0.00 C ATOM 1061 CG HIS A 651 6.949 -12.269 -5.433 1.00 0.00 C ATOM 1062 ND1 HIS A 651 8.003 -12.854 -6.102 1.00 0.00 N ATOM 1063 CD2 HIS A 651 5.827 -12.824 -5.945 1.00 0.00 C ATOM 1064 CE1 HIS A 651 7.534 -13.722 -6.980 1.00 0.00 C ATOM 1065 NE2 HIS A 651 6.217 -13.724 -6.904 1.00 0.00 N ATOM 0 H HIS A 651 8.247 -9.048 -4.571 1.00 0.00 H new ATOM 0 HA HIS A 651 5.781 -10.052 -5.531 1.00 0.00 H new ATOM 0 HB2 HIS A 651 8.186 -11.016 -4.252 1.00 0.00 H new ATOM 0 HB3 HIS A 651 6.799 -11.671 -3.405 1.00 0.00 H new ATOM 0 HD1 HIS A 651 8.990 -12.649 -5.944 1.00 0.00 H new ATOM 0 HD2 HIS A 651 4.812 -12.600 -5.653 1.00 0.00 H new ATOM 0 HE1 HIS A 651 8.128 -14.328 -7.648 1.00 0.00 H new ATOM 1074 N LEU A 652 5.922 -9.162 -2.363 1.00 0.00 N ATOM 1075 CA LEU A 652 5.125 -8.845 -1.185 1.00 0.00 C ATOM 1076 C LEU A 652 4.033 -7.837 -1.519 1.00 0.00 C ATOM 1077 O LEU A 652 2.864 -8.026 -1.163 1.00 0.00 O ATOM 1078 CB LEU A 652 6.020 -8.276 -0.083 1.00 0.00 C ATOM 1079 CG LEU A 652 7.095 -9.224 0.451 1.00 0.00 C ATOM 1080 CD1 LEU A 652 8.027 -8.486 1.396 1.00 0.00 C ATOM 1081 CD2 LEU A 652 6.457 -10.412 1.152 1.00 0.00 C ATOM 0 H LEU A 652 6.916 -8.957 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 652 4.656 -9.766 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.509 -7.379 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.388 -7.966 0.749 1.00 0.00 H new ATOM 0 HG LEU A 652 7.679 -9.596 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 652 8.787 -9.173 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.509 -7.665 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.455 -8.089 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 652 7.237 -11.076 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 652 5.850 -10.059 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 652 5.826 -10.954 0.448 1.00 0.00 H new ATOM 1093 N LEU A 653 4.428 -6.759 -2.186 1.00 0.00 N ATOM 1094 CA LEU A 653 3.496 -5.712 -2.584 1.00 0.00 C ATOM 1095 C LEU A 653 2.471 -6.227 -3.591 1.00 0.00 C ATOM 1096 O LEU A 653 1.277 -6.007 -3.418 1.00 0.00 O ATOM 1097 CB LEU A 653 4.254 -4.514 -3.158 1.00 0.00 C ATOM 1098 CG LEU A 653 4.979 -3.657 -2.119 1.00 0.00 C ATOM 1099 CD1 LEU A 653 6.156 -2.947 -2.751 1.00 0.00 C ATOM 1100 CD2 LEU A 653 4.029 -2.635 -1.513 1.00 0.00 C ATOM 0 H LEU A 653 5.394 -6.587 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 653 2.954 -5.393 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 653 4.983 -4.876 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.551 -3.883 -3.702 1.00 0.00 H new ATOM 0 HG LEU A 653 5.342 -4.314 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 653 6.662 -2.341 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 653 6.852 -3.683 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 653 5.803 -2.304 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.562 -2.035 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 653 3.643 -1.986 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.200 -3.151 -1.029 1.00 0.00 H new ATOM 1112 N ALA A 654 2.938 -6.928 -4.624 1.00 0.00 N ATOM 1113 CA ALA A 654 2.060 -7.412 -5.690 1.00 0.00 C ATOM 1114 C ALA A 654 0.924 -8.268 -5.138 1.00 0.00 C ATOM 1115 O ALA A 654 -0.245 -8.055 -5.472 1.00 0.00 O ATOM 1116 CB ALA A 654 2.857 -8.201 -6.715 1.00 0.00 C ATOM 0 H ALA A 654 3.920 -7.174 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 654 1.618 -6.541 -6.173 1.00 0.00 H new ATOM 0 HB1 ALA A 654 2.190 -8.554 -7.501 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.624 -7.561 -7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 654 3.330 -9.055 -6.230 1.00 0.00 H new ATOM 1122 N GLU A 655 1.277 -9.229 -4.289 1.00 0.00 N ATOM 1123 CA GLU A 655 0.275 -10.085 -3.643 1.00 0.00 C ATOM 1124 C GLU A 655 -0.666 -9.239 -2.797 1.00 0.00 C ATOM 1125 O GLU A 655 -1.887 -9.378 -2.864 1.00 0.00 O ATOM 1126 CB GLU A 655 0.930 -11.155 -2.747 1.00 0.00 C ATOM 1127 CG GLU A 655 -0.016 -11.718 -1.694 1.00 0.00 C ATOM 1128 CD GLU A 655 0.708 -12.337 -0.519 1.00 0.00 C ATOM 1129 OE1 GLU A 655 0.994 -11.607 0.451 1.00 0.00 O ATOM 1130 OE2 GLU A 655 0.993 -13.552 -0.558 1.00 0.00 O ATOM 0 H GLU A 655 2.242 -9.437 -4.031 1.00 0.00 H new ATOM 0 HA GLU A 655 -0.280 -10.590 -4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.293 -11.970 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 655 1.799 -10.722 -2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.666 -10.920 -1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.658 -12.469 -2.155 1.00 0.00 H new ATOM 1137 N LYS A 656 -0.075 -8.343 -2.022 1.00 0.00 N ATOM 1138 CA LYS A 656 -0.808 -7.564 -1.039 1.00 0.00 C ATOM 1139 C LYS A 656 -1.818 -6.644 -1.716 1.00 0.00 C ATOM 1140 O LYS A 656 -2.970 -6.553 -1.294 1.00 0.00 O ATOM 1141 CB LYS A 656 0.180 -6.757 -0.191 1.00 0.00 C ATOM 1142 CG LYS A 656 -0.253 -6.560 1.254 1.00 0.00 C ATOM 1143 CD LYS A 656 -0.444 -7.880 2.008 1.00 0.00 C ATOM 1144 CE LYS A 656 0.875 -8.528 2.424 1.00 0.00 C ATOM 1145 NZ LYS A 656 1.593 -9.185 1.293 1.00 0.00 N ATOM 0 H LYS A 656 0.923 -8.136 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 656 -1.364 -8.242 -0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 656 1.147 -7.260 -0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 656 0.323 -5.780 -0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 656 0.493 -5.957 1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 656 -1.187 -5.998 1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 656 -1.050 -7.700 2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 656 -1.000 -8.574 1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 656 1.522 -7.769 2.864 1.00 0.00 H new ATOM 0 HE3 LYS A 656 0.679 -9.268 3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 1.607 -10.214 1.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 1.104 -8.971 0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 2.569 -8.829 1.248 1.00 0.00 H new ATOM 1159 N ILE A 657 -1.384 -5.977 -2.777 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.250 -5.070 -3.519 1.00 0.00 C ATOM 1161 C ILE A 657 -3.407 -5.834 -4.169 1.00 0.00 C ATOM 1162 O ILE A 657 -4.551 -5.376 -4.159 1.00 0.00 O ATOM 1163 CB ILE A 657 -1.453 -4.293 -4.598 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -0.360 -3.444 -3.939 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -2.378 -3.410 -5.422 1.00 0.00 C ATOM 1166 CD1 ILE A 657 0.529 -2.715 -4.926 1.00 0.00 C ATOM 0 H ILE A 657 -0.435 -6.047 -3.144 1.00 0.00 H new ATOM 0 HA ILE A 657 -2.659 -4.351 -2.810 1.00 0.00 H new ATOM 0 HB ILE A 657 -0.985 -5.017 -5.266 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -0.829 -2.714 -3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 657 0.259 -4.088 -3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -1.797 -2.875 -6.173 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.127 -4.029 -5.916 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -2.874 -2.693 -4.768 1.00 0.00 H new ATOM 0 HD11 ILE A 657 1.277 -2.136 -4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 657 1.028 -3.439 -5.570 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.077 -2.044 -5.535 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.107 -7.007 -4.720 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.134 -7.834 -5.354 1.00 0.00 C ATOM 1180 C TYR A 658 -5.145 -8.318 -4.309 1.00 0.00 C ATOM 1181 O TYR A 658 -6.342 -8.391 -4.588 1.00 0.00 O ATOM 1182 CB TYR A 658 -3.524 -9.022 -6.124 1.00 0.00 C ATOM 1183 CG TYR A 658 -4.395 -9.524 -7.266 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -4.825 -8.657 -8.268 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -4.785 -10.861 -7.353 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -5.613 -9.104 -9.311 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -5.572 -11.309 -8.394 1.00 0.00 C ATOM 1188 CZ TYR A 658 -5.983 -10.429 -9.368 1.00 0.00 C ATOM 1189 OH TYR A 658 -6.772 -10.877 -10.403 1.00 0.00 O ATOM 0 H TYR A 658 -2.168 -7.406 -4.741 1.00 0.00 H new ATOM 0 HA TYR A 658 -4.654 -7.215 -6.085 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -2.554 -8.725 -6.522 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -3.346 -9.841 -5.428 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -4.537 -7.617 -8.229 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -4.465 -11.557 -6.592 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -5.937 -8.417 -10.079 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -5.864 -12.347 -8.444 1.00 0.00 H new ATOM 0 HH TYR A 658 -6.941 -11.836 -10.294 1.00 0.00 H new ATOM 1199 N LYS A 659 -4.655 -8.651 -3.109 1.00 0.00 N ATOM 1200 CA LYS A 659 -5.523 -9.082 -2.017 1.00 0.00 C ATOM 1201 C LYS A 659 -6.568 -8.019 -1.704 1.00 0.00 C ATOM 1202 O LYS A 659 -7.754 -8.320 -1.566 1.00 0.00 O ATOM 1203 CB LYS A 659 -4.701 -9.385 -0.763 1.00 0.00 C ATOM 1204 CG LYS A 659 -3.929 -10.693 -0.830 1.00 0.00 C ATOM 1205 CD LYS A 659 -4.861 -11.893 -0.771 1.00 0.00 C ATOM 1206 CE LYS A 659 -4.087 -13.195 -0.651 1.00 0.00 C ATOM 1207 NZ LYS A 659 -3.273 -13.482 -1.861 1.00 0.00 N ATOM 0 H LYS A 659 -3.663 -8.629 -2.874 1.00 0.00 H new ATOM 0 HA LYS A 659 -6.033 -9.992 -2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -3.998 -8.569 -0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -5.368 -9.413 0.098 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -3.348 -10.727 -1.752 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -3.220 -10.741 -0.004 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -5.535 -11.790 0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -5.480 -11.918 -1.668 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -3.434 -13.148 0.220 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -4.785 -14.015 -0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -3.633 -14.340 -2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -3.335 -12.679 -2.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -2.281 -13.628 -1.585 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.119 -6.773 -1.608 1.00 0.00 N ATOM 1222 CA ILE A 660 -7.019 -5.652 -1.370 1.00 0.00 C ATOM 1223 C ILE A 660 -8.035 -5.519 -2.502 1.00 0.00 C ATOM 1224 O ILE A 660 -9.205 -5.222 -2.259 1.00 0.00 O ATOM 1225 CB ILE A 660 -6.245 -4.327 -1.134 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -6.174 -4.052 0.367 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -6.883 -3.140 -1.859 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -5.256 -2.911 0.733 1.00 0.00 C ATOM 0 H ILE A 660 -5.136 -6.514 -1.691 1.00 0.00 H new ATOM 0 HA ILE A 660 -7.569 -5.861 -0.452 1.00 0.00 H new ATOM 0 HB ILE A 660 -5.243 -4.445 -1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -7.176 -3.832 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -5.838 -4.955 0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -6.303 -2.238 -1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -6.898 -3.334 -2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -7.903 -3.001 -1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -5.257 -2.775 1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -4.244 -3.136 0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -5.603 -1.996 0.252 1.00 0.00 H new ATOM 1240 N GLN A 661 -7.595 -5.765 -3.734 1.00 0.00 N ATOM 1241 CA GLN A 661 -8.492 -5.679 -4.892 1.00 0.00 C ATOM 1242 C GLN A 661 -9.577 -6.747 -4.787 1.00 0.00 C ATOM 1243 O GLN A 661 -10.737 -6.506 -5.117 1.00 0.00 O ATOM 1244 CB GLN A 661 -7.746 -5.810 -6.233 1.00 0.00 C ATOM 1245 CG GLN A 661 -6.791 -4.654 -6.535 1.00 0.00 C ATOM 1246 CD GLN A 661 -6.239 -4.711 -7.945 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -5.119 -5.393 -8.117 1.00 0.00 O flip ATOM 1248 NE2 GLN A 661 -6.814 -4.147 -8.873 1.00 0.00 N flip ATOM 0 H GLN A 661 -6.634 -6.023 -3.959 1.00 0.00 H new ATOM 0 HA GLN A 661 -8.944 -4.687 -4.877 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -7.181 -6.742 -6.232 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -8.478 -5.881 -7.038 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.313 -3.708 -6.391 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -5.965 -4.674 -5.824 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -7.676 -3.630 -8.700 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -6.429 -4.195 -9.816 1.00 0.00 H new ATOM 1257 N LYS A 662 -9.188 -7.926 -4.312 1.00 0.00 N ATOM 1258 CA LYS A 662 -10.118 -9.028 -4.129 1.00 0.00 C ATOM 1259 C LYS A 662 -11.154 -8.671 -3.061 1.00 0.00 C ATOM 1260 O LYS A 662 -12.334 -9.001 -3.186 1.00 0.00 O ATOM 1261 CB LYS A 662 -9.362 -10.307 -3.750 1.00 0.00 C ATOM 1262 CG LYS A 662 -10.250 -11.537 -3.589 1.00 0.00 C ATOM 1263 CD LYS A 662 -11.051 -11.866 -4.850 1.00 0.00 C ATOM 1264 CE LYS A 662 -10.186 -12.424 -5.981 1.00 0.00 C ATOM 1265 NZ LYS A 662 -9.404 -11.370 -6.687 1.00 0.00 N ATOM 0 H LYS A 662 -8.227 -8.141 -4.046 1.00 0.00 H new ATOM 0 HA LYS A 662 -10.641 -9.208 -5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -8.612 -10.512 -4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -8.826 -10.135 -2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -9.630 -12.394 -3.325 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -10.939 -11.375 -2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -11.826 -12.591 -4.602 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -11.556 -10.965 -5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -9.500 -13.167 -5.574 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -10.824 -12.939 -6.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -9.332 -11.609 -7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -9.883 -10.453 -6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -8.450 -11.311 -6.276 1.00 0.00 H new ATOM 1279 N GLU A 663 -10.698 -8.002 -2.005 1.00 0.00 N ATOM 1280 CA GLU A 663 -11.592 -7.503 -0.964 1.00 0.00 C ATOM 1281 C GLU A 663 -12.609 -6.529 -1.544 1.00 0.00 C ATOM 1282 O GLU A 663 -13.780 -6.554 -1.169 1.00 0.00 O ATOM 1283 CB GLU A 663 -10.799 -6.814 0.144 1.00 0.00 C ATOM 1284 CG GLU A 663 -10.163 -7.771 1.135 1.00 0.00 C ATOM 1285 CD GLU A 663 -11.196 -8.434 2.022 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -11.573 -7.828 3.050 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -11.647 -9.550 1.689 1.00 0.00 O ATOM 0 H GLU A 663 -9.712 -7.793 -1.848 1.00 0.00 H new ATOM 0 HA GLU A 663 -12.122 -8.358 -0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -10.018 -6.204 -0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -11.461 -6.136 0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -9.604 -8.535 0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -9.447 -7.230 1.754 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.156 -5.669 -2.452 1.00 0.00 N ATOM 1295 CA LEU A 664 -13.043 -4.720 -3.118 1.00 0.00 C ATOM 1296 C LEU A 664 -14.169 -5.467 -3.825 1.00 0.00 C ATOM 1297 O LEU A 664 -15.334 -5.069 -3.758 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.274 -3.866 -4.135 1.00 0.00 C ATOM 1299 CG LEU A 664 -11.041 -3.138 -3.593 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -10.364 -2.353 -4.703 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -11.414 -2.216 -2.443 1.00 0.00 C ATOM 0 H LEU A 664 -11.180 -5.610 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 664 -13.462 -4.059 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -11.961 -4.508 -4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -12.957 -3.125 -4.550 1.00 0.00 H new ATOM 0 HG LEU A 664 -10.343 -3.885 -3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -9.489 -1.840 -4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -10.055 -3.035 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -11.061 -1.619 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -10.520 -1.711 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -12.133 -1.474 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -11.857 -2.801 -1.637 1.00 0.00 H new ATOM 1313 N GLU A 665 -13.809 -6.557 -4.494 1.00 0.00 N ATOM 1314 CA GLU A 665 -14.779 -7.415 -5.159 1.00 0.00 C ATOM 1315 C GLU A 665 -15.753 -8.002 -4.147 1.00 0.00 C ATOM 1316 O GLU A 665 -16.969 -7.952 -4.332 1.00 0.00 O ATOM 1317 CB GLU A 665 -14.066 -8.558 -5.884 1.00 0.00 C ATOM 1318 CG GLU A 665 -13.064 -8.108 -6.932 1.00 0.00 C ATOM 1319 CD GLU A 665 -12.270 -9.268 -7.495 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -12.863 -10.114 -8.199 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -11.054 -9.353 -7.222 1.00 0.00 O ATOM 0 H GLU A 665 -12.842 -6.868 -4.590 1.00 0.00 H new ATOM 0 HA GLU A 665 -15.328 -6.810 -5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -13.551 -9.174 -5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -14.814 -9.191 -6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -13.589 -7.602 -7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -12.381 -7.381 -6.492 1.00 0.00 H new ATOM 1328 N GLU A 666 -15.195 -8.540 -3.070 1.00 0.00 N ATOM 1329 CA GLU A 666 -15.966 -9.245 -2.055 1.00 0.00 C ATOM 1330 C GLU A 666 -16.967 -8.323 -1.361 1.00 0.00 C ATOM 1331 O GLU A 666 -18.149 -8.647 -1.239 1.00 0.00 O ATOM 1332 CB GLU A 666 -15.012 -9.847 -1.022 1.00 0.00 C ATOM 1333 CG GLU A 666 -15.693 -10.766 -0.026 1.00 0.00 C ATOM 1334 CD GLU A 666 -16.259 -12.006 -0.681 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -17.363 -11.925 -1.264 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -15.606 -13.068 -0.616 1.00 0.00 O ATOM 0 H GLU A 666 -14.194 -8.500 -2.876 1.00 0.00 H new ATOM 0 HA GLU A 666 -16.533 -10.035 -2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -14.232 -10.403 -1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -14.520 -9.039 -0.480 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -14.978 -11.058 0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -16.495 -10.224 0.475 1.00 0.00 H new ATOM 1531 N LEU B 845 -5.325 -7.725 4.082 1.00 0.00 N ATOM 1532 CA LEU B 845 -5.180 -6.503 4.858 1.00 0.00 C ATOM 1533 C LEU B 845 -6.484 -6.153 5.570 1.00 0.00 C ATOM 1534 O LEU B 845 -7.558 -6.555 5.117 1.00 0.00 O ATOM 1535 CB LEU B 845 -4.730 -5.347 3.954 1.00 0.00 C ATOM 1536 CG LEU B 845 -3.456 -5.615 3.146 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -3.797 -6.070 1.736 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -2.574 -4.378 3.107 1.00 0.00 C ATOM 0 HA LEU B 845 -4.415 -6.668 5.617 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -5.538 -5.111 3.262 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -4.571 -4.463 4.572 1.00 0.00 H new ATOM 0 HG LEU B 845 -2.904 -6.415 3.640 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -2.877 -6.254 1.181 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -4.383 -6.988 1.782 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -4.375 -5.295 1.233 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -1.675 -4.590 2.528 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -3.119 -3.557 2.642 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -2.294 -4.099 4.123 1.00 0.00 H new ATOM 1550 N PRO B 846 -6.385 -5.419 6.704 1.00 0.00 N ATOM 1551 CA PRO B 846 -7.518 -4.999 7.535 1.00 0.00 C ATOM 1552 C PRO B 846 -8.816 -4.768 6.766 1.00 0.00 C ATOM 1553 O PRO B 846 -8.909 -3.885 5.911 1.00 0.00 O ATOM 1554 CB PRO B 846 -7.007 -3.688 8.118 1.00 0.00 C ATOM 1555 CG PRO B 846 -5.545 -3.913 8.311 1.00 0.00 C ATOM 1556 CD PRO B 846 -5.118 -4.943 7.289 1.00 0.00 C ATOM 0 HA PRO B 846 -7.790 -5.765 8.261 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -7.195 -2.853 7.443 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -7.501 -3.453 9.061 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -4.991 -2.984 8.177 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -5.339 -4.264 9.322 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -4.469 -4.506 6.531 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -4.563 -5.758 7.753 1.00 0.00 H new ATOM 1564 N SER B 847 -9.819 -5.571 7.107 1.00 0.00 N ATOM 1565 CA SER B 847 -11.131 -5.502 6.484 1.00 0.00 C ATOM 1566 C SER B 847 -11.720 -4.099 6.586 1.00 0.00 C ATOM 1567 O SER B 847 -12.328 -3.604 5.638 1.00 0.00 O ATOM 1568 CB SER B 847 -12.069 -6.501 7.161 1.00 0.00 C ATOM 1569 OG SER B 847 -11.470 -7.782 7.250 1.00 0.00 O ATOM 0 H SER B 847 -9.742 -6.290 7.826 1.00 0.00 H new ATOM 0 HA SER B 847 -11.021 -5.748 5.428 1.00 0.00 H new ATOM 0 HB2 SER B 847 -12.325 -6.146 8.159 1.00 0.00 H new ATOM 0 HB3 SER B 847 -13.000 -6.570 6.598 1.00 0.00 H new ATOM 0 HG SER B 847 -12.089 -8.403 7.688 1.00 0.00 H new ATOM 1575 N ASP B 848 -11.515 -3.465 7.740 1.00 0.00 N ATOM 1576 CA ASP B 848 -12.146 -2.181 8.056 1.00 0.00 C ATOM 1577 C ASP B 848 -11.845 -1.113 7.009 1.00 0.00 C ATOM 1578 O ASP B 848 -12.744 -0.393 6.590 1.00 0.00 O ATOM 1579 CB ASP B 848 -11.707 -1.677 9.432 1.00 0.00 C ATOM 1580 CG ASP B 848 -12.475 -0.442 9.859 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -13.695 -0.552 10.116 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -11.864 0.644 9.952 1.00 0.00 O ATOM 0 H ASP B 848 -10.911 -3.823 8.479 1.00 0.00 H new ATOM 0 HA ASP B 848 -13.221 -2.361 8.059 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -11.852 -2.466 10.170 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -10.641 -1.451 9.412 1.00 0.00 H new ATOM 1587 N ILE B 849 -10.589 -1.014 6.581 1.00 0.00 N ATOM 1588 CA ILE B 849 -10.200 0.012 5.614 1.00 0.00 C ATOM 1589 C ILE B 849 -10.913 -0.223 4.283 1.00 0.00 C ATOM 1590 O ILE B 849 -11.406 0.714 3.652 1.00 0.00 O ATOM 1591 CB ILE B 849 -8.667 0.049 5.383 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -7.916 0.057 6.724 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -8.284 1.278 4.557 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -8.227 1.254 7.608 1.00 0.00 C ATOM 0 H ILE B 849 -9.830 -1.624 6.884 1.00 0.00 H new ATOM 0 HA ILE B 849 -10.497 0.975 6.030 1.00 0.00 H new ATOM 0 HB ILE B 849 -8.382 -0.848 4.833 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -8.159 -0.855 7.269 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -6.844 0.034 6.527 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -7.205 1.291 4.403 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -8.788 1.239 3.591 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -8.585 2.181 5.087 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -7.656 1.181 8.533 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -7.957 2.172 7.086 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -9.292 1.269 7.839 1.00 0.00 H new ATOM 1606 N MET B 850 -10.976 -1.487 3.877 1.00 0.00 N ATOM 1607 CA MET B 850 -11.671 -1.873 2.649 1.00 0.00 C ATOM 1608 C MET B 850 -13.161 -1.588 2.768 1.00 0.00 C ATOM 1609 O MET B 850 -13.778 -1.056 1.853 1.00 0.00 O ATOM 1610 CB MET B 850 -11.453 -3.359 2.338 1.00 0.00 C ATOM 1611 CG MET B 850 -10.086 -3.704 1.754 1.00 0.00 C ATOM 1612 SD MET B 850 -8.689 -3.108 2.729 1.00 0.00 S ATOM 1613 CE MET B 850 -8.400 -1.507 1.976 1.00 0.00 C ATOM 0 H MET B 850 -10.553 -2.266 4.381 1.00 0.00 H new ATOM 0 HA MET B 850 -11.257 -1.281 1.832 1.00 0.00 H new ATOM 0 HB2 MET B 850 -11.594 -3.931 3.255 1.00 0.00 H new ATOM 0 HB3 MET B 850 -12.223 -3.685 1.638 1.00 0.00 H new ATOM 0 HG2 MET B 850 -10.009 -4.787 1.655 1.00 0.00 H new ATOM 0 HG3 MET B 850 -10.017 -3.286 0.750 1.00 0.00 H new ATOM 0 HE1 MET B 850 -7.337 -1.270 2.021 1.00 0.00 H new ATOM 0 HE2 MET B 850 -8.723 -1.531 0.935 1.00 0.00 H new ATOM 0 HE3 MET B 850 -8.964 -0.745 2.514 1.00 0.00 H new