USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 449 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 12 MET CE :methyl -154:sc= -3.79! (180deg=-1.74!) USER MOD Set 1.2: A 20 GLN : amide:sc= -1.63 K(o=-5.4,f=-2.6) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -2.2 K(o=-2.2,f=-4.2!) USER MOD Single : A 25 GLN : amide:sc= -0.772 X(o=-0.77,f=-0.58) USER MOD Single : A 30 ASN : amide:sc= 1.08 K(o=1.1,f=-0.24) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.052 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 76:sc= 0.146 USER MOD Single : A 41 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.72) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00457) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 146:sc= 0.0547 USER MOD Single : A 60 LYS NZ :NH3+ -135:sc= -0.284 (180deg=-1.58) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N PRO A 11 -0.836 0.894 -8.040 1.00 0.00 N ATOM 130 CA PRO A 11 -0.627 1.719 -6.846 1.00 0.00 C ATOM 131 C PRO A 11 -0.861 3.201 -7.118 1.00 0.00 C ATOM 132 O PRO A 11 -0.745 3.659 -8.254 1.00 0.00 O ATOM 133 CB PRO A 11 0.840 1.466 -6.492 1.00 0.00 C ATOM 134 CG PRO A 11 1.478 1.073 -7.780 1.00 0.00 C ATOM 135 CD PRO A 11 0.424 0.332 -8.555 1.00 0.00 C ATOM 0 HA PRO A 11 -1.323 1.463 -6.047 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.306 2.359 -6.075 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.937 0.678 -5.745 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.822 1.950 -8.329 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.350 0.443 -7.607 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.527 0.493 -9.628 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.483 -0.743 -8.387 1.00 0.00 H new ATOM 143 N MET A 12 -1.192 3.946 -6.068 1.00 0.00 N ATOM 144 CA MET A 12 -1.440 5.377 -6.194 1.00 0.00 C ATOM 145 C MET A 12 -0.141 6.134 -6.449 1.00 0.00 C ATOM 146 O MET A 12 0.631 6.390 -5.524 1.00 0.00 O ATOM 147 CB MET A 12 -2.117 5.913 -4.931 1.00 0.00 C ATOM 148 CG MET A 12 -3.535 5.400 -4.737 1.00 0.00 C ATOM 149 SD MET A 12 -4.756 6.380 -5.631 1.00 0.00 S ATOM 150 CE MET A 12 -4.868 7.824 -4.577 1.00 0.00 C ATOM 0 H MET A 12 -1.295 3.582 -5.121 1.00 0.00 H new ATOM 0 HA MET A 12 -2.103 5.531 -7.046 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.518 5.638 -4.063 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.136 7.002 -4.973 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.591 4.364 -5.071 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.777 5.406 -3.674 1.00 0.00 H new ATOM 0 HE1 MET A 12 -5.847 8.288 -4.699 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.734 7.527 -3.537 1.00 0.00 H new ATOM 0 HE3 MET A 12 -4.091 8.537 -4.853 1.00 0.00 H new ATOM 160 N SER A 13 0.095 6.489 -7.708 1.00 0.00 N ATOM 161 CA SER A 13 1.304 7.214 -8.084 1.00 0.00 C ATOM 162 C SER A 13 1.352 8.580 -7.407 1.00 0.00 C ATOM 163 O SER A 13 0.319 9.140 -7.041 1.00 0.00 O ATOM 164 CB SER A 13 1.370 7.383 -9.603 1.00 0.00 C ATOM 165 OG SER A 13 1.321 6.127 -10.259 1.00 0.00 O ATOM 0 H SER A 13 -0.534 6.287 -8.485 1.00 0.00 H new ATOM 0 HA SER A 13 2.164 6.633 -7.752 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.540 8.005 -9.939 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.289 7.903 -9.875 1.00 0.00 H new ATOM 0 HG SER A 13 1.363 6.263 -11.229 1.00 0.00 H new ATOM 171 N ALA A 14 2.559 9.110 -7.243 1.00 0.00 N ATOM 172 CA ALA A 14 2.743 10.411 -6.611 1.00 0.00 C ATOM 173 C ALA A 14 1.650 11.386 -7.035 1.00 0.00 C ATOM 174 O ALA A 14 1.282 12.287 -6.280 1.00 0.00 O ATOM 175 CB ALA A 14 4.115 10.973 -6.952 1.00 0.00 C ATOM 0 H ALA A 14 3.425 8.659 -7.539 1.00 0.00 H new ATOM 0 HA ALA A 14 2.675 10.277 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.239 11.945 -6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.887 10.291 -6.594 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.203 11.086 -8.032 1.00 0.00 H new ATOM 181 N SER A 15 1.134 11.201 -8.246 1.00 0.00 N ATOM 182 CA SER A 15 0.086 12.067 -8.771 1.00 0.00 C ATOM 183 C SER A 15 -1.185 11.950 -7.935 1.00 0.00 C ATOM 184 O SER A 15 -1.583 12.895 -7.255 1.00 0.00 O ATOM 185 CB SER A 15 -0.214 11.714 -10.229 1.00 0.00 C ATOM 186 OG SER A 15 -1.221 12.558 -10.761 1.00 0.00 O ATOM 0 H SER A 15 1.425 10.459 -8.882 1.00 0.00 H new ATOM 0 HA SER A 15 0.440 13.097 -8.720 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.695 11.807 -10.824 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.534 10.674 -10.296 1.00 0.00 H new ATOM 0 HG SER A 15 -1.393 12.313 -11.694 1.00 0.00 H new ATOM 192 N ALA A 16 -1.818 10.783 -7.993 1.00 0.00 N ATOM 193 CA ALA A 16 -3.043 10.540 -7.241 1.00 0.00 C ATOM 194 C ALA A 16 -2.909 11.027 -5.802 1.00 0.00 C ATOM 195 O ALA A 16 -3.773 11.745 -5.296 1.00 0.00 O ATOM 196 CB ALA A 16 -3.394 9.059 -7.269 1.00 0.00 C ATOM 0 H ALA A 16 -1.503 9.991 -8.553 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.848 11.102 -7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.311 8.892 -6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.540 8.739 -8.301 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.582 8.484 -6.823 1.00 0.00 H new ATOM 202 N LEU A 17 -1.823 10.631 -5.147 1.00 0.00 N ATOM 203 CA LEU A 17 -1.577 11.027 -3.765 1.00 0.00 C ATOM 204 C LEU A 17 -1.728 12.536 -3.595 1.00 0.00 C ATOM 205 O LEU A 17 -2.506 13.002 -2.763 1.00 0.00 O ATOM 206 CB LEU A 17 -0.176 10.592 -3.331 1.00 0.00 C ATOM 207 CG LEU A 17 -0.042 9.149 -2.845 1.00 0.00 C ATOM 208 CD1 LEU A 17 1.423 8.749 -2.755 1.00 0.00 C ATOM 209 CD2 LEU A 17 -0.727 8.974 -1.497 1.00 0.00 C ATOM 0 H LEU A 17 -1.099 10.036 -5.551 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.316 10.533 -3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.504 10.736 -4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.158 11.255 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.532 8.496 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.498 7.719 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.885 8.835 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.937 9.407 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.621 7.941 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.266 9.638 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.785 9.218 -1.592 1.00 0.00 H new ATOM 221 N PHE A 18 -0.981 13.293 -4.391 1.00 0.00 N ATOM 222 CA PHE A 18 -1.033 14.750 -4.331 1.00 0.00 C ATOM 223 C PHE A 18 -2.471 15.247 -4.442 1.00 0.00 C ATOM 224 O PHE A 18 -2.878 16.168 -3.733 1.00 0.00 O ATOM 225 CB PHE A 18 -0.183 15.359 -5.447 1.00 0.00 C ATOM 226 CG PHE A 18 -0.329 16.849 -5.567 1.00 0.00 C ATOM 227 CD1 PHE A 18 -1.337 17.399 -6.343 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.541 17.699 -4.904 1.00 0.00 C ATOM 229 CE1 PHE A 18 -1.474 18.770 -6.456 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.408 19.070 -5.013 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.600 19.606 -5.790 1.00 0.00 C ATOM 0 H PHE A 18 -0.332 12.922 -5.085 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.632 15.064 -3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.865 15.118 -5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.458 14.897 -6.395 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.023 16.749 -6.865 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.332 17.286 -4.295 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.263 19.186 -7.064 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.092 19.722 -4.491 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.704 20.677 -5.877 1.00 0.00 H new ATOM 241 N VAL A 19 -3.237 14.631 -5.337 1.00 0.00 N ATOM 242 CA VAL A 19 -4.630 15.011 -5.542 1.00 0.00 C ATOM 243 C VAL A 19 -5.448 14.805 -4.272 1.00 0.00 C ATOM 244 O VAL A 19 -6.166 15.702 -3.833 1.00 0.00 O ATOM 245 CB VAL A 19 -5.269 14.203 -6.687 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.750 14.526 -6.806 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.548 14.478 -7.998 1.00 0.00 C ATOM 0 H VAL A 19 -2.916 13.867 -5.932 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.634 16.068 -5.806 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.170 13.142 -6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.185 13.946 -7.620 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.253 14.275 -5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.875 15.589 -7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.012 13.899 -8.797 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.614 15.540 -8.234 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.500 14.192 -7.904 1.00 0.00 H new ATOM 257 N GLN A 20 -5.333 13.617 -3.686 1.00 0.00 N ATOM 258 CA GLN A 20 -6.062 13.294 -2.466 1.00 0.00 C ATOM 259 C GLN A 20 -5.554 14.124 -1.292 1.00 0.00 C ATOM 260 O GLN A 20 -6.220 14.232 -0.262 1.00 0.00 O ATOM 261 CB GLN A 20 -5.930 11.803 -2.147 1.00 0.00 C ATOM 262 CG GLN A 20 -7.023 10.949 -2.769 1.00 0.00 C ATOM 263 CD GLN A 20 -7.336 9.714 -1.947 1.00 0.00 C ATOM 264 OE1 GLN A 20 -8.360 9.651 -1.265 1.00 0.00 O ATOM 265 NE2 GLN A 20 -6.454 8.723 -2.007 1.00 0.00 N ATOM 0 H GLN A 20 -4.742 12.863 -4.037 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.113 13.532 -2.627 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.960 11.449 -2.498 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.946 11.668 -1.065 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.928 11.547 -2.879 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.717 10.647 -3.771 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.619 8.818 -2.585 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.612 7.867 -1.475 1.00 0.00 H new ATOM 274 N ASP A 21 -4.372 14.708 -1.454 1.00 0.00 N ATOM 275 CA ASP A 21 -3.775 15.529 -0.407 1.00 0.00 C ATOM 276 C ASP A 21 -4.465 16.887 -0.322 1.00 0.00 C ATOM 277 O ASP A 21 -4.737 17.390 0.768 1.00 0.00 O ATOM 278 CB ASP A 21 -2.280 15.718 -0.669 1.00 0.00 C ATOM 279 CG ASP A 21 -1.530 16.180 0.566 1.00 0.00 C ATOM 280 OD1 ASP A 21 -1.693 15.547 1.630 1.00 0.00 O ATOM 281 OD2 ASP A 21 -0.780 17.173 0.467 1.00 0.00 O ATOM 0 H ASP A 21 -3.808 14.628 -2.300 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.907 15.014 0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.854 14.778 -1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.143 16.447 -1.468 1.00 0.00 H new ATOM 286 N HIS A 22 -4.745 17.477 -1.480 1.00 0.00 N ATOM 287 CA HIS A 22 -5.403 18.777 -1.537 1.00 0.00 C ATOM 288 C HIS A 22 -6.832 18.641 -2.055 1.00 0.00 C ATOM 289 O HIS A 22 -7.511 19.638 -2.299 1.00 0.00 O ATOM 290 CB HIS A 22 -4.613 19.734 -2.430 1.00 0.00 C ATOM 291 CG HIS A 22 -3.129 19.639 -2.245 1.00 0.00 C ATOM 292 ND1 HIS A 22 -2.493 19.990 -1.073 1.00 0.00 N ATOM 293 CD2 HIS A 22 -2.156 19.227 -3.091 1.00 0.00 C ATOM 294 CE1 HIS A 22 -1.193 19.801 -1.207 1.00 0.00 C ATOM 295 NE2 HIS A 22 -0.962 19.337 -2.422 1.00 0.00 N ATOM 0 H HIS A 22 -4.526 17.075 -2.392 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.439 19.183 -0.526 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.855 19.528 -3.473 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.932 20.756 -2.225 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.293 18.877 -4.103 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.446 19.993 -0.451 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.046 19.099 -2.802 1.00 0.00 H new ATOM 304 N ARG A 23 -7.280 17.401 -2.222 1.00 0.00 N ATOM 305 CA ARG A 23 -8.626 17.135 -2.714 1.00 0.00 C ATOM 306 C ARG A 23 -9.666 17.878 -1.879 1.00 0.00 C ATOM 307 O ARG A 23 -10.431 18.700 -2.384 1.00 0.00 O ATOM 308 CB ARG A 23 -8.914 15.633 -2.688 1.00 0.00 C ATOM 309 CG ARG A 23 -10.371 15.297 -2.414 1.00 0.00 C ATOM 310 CD ARG A 23 -10.620 13.799 -2.487 1.00 0.00 C ATOM 311 NE ARG A 23 -12.028 13.467 -2.283 1.00 0.00 N ATOM 312 CZ ARG A 23 -12.592 13.364 -1.085 1.00 0.00 C ATOM 313 NH1 ARG A 23 -11.872 13.566 0.010 1.00 0.00 N ATOM 314 NH2 ARG A 23 -13.879 13.059 -0.980 1.00 0.00 N ATOM 0 H ARG A 23 -6.730 16.565 -2.024 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.688 17.492 -3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.624 15.199 -3.645 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.292 15.166 -1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.651 15.666 -1.427 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.006 15.808 -3.138 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.296 13.425 -3.458 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.016 13.294 -1.733 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.609 13.306 -3.105 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.882 13.801 -0.066 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.308 13.486 0.929 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.436 12.903 -1.820 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.311 12.980 -0.059 1.00 0.00 H new ATOM 328 N PRO A 24 -9.696 17.582 -0.572 1.00 0.00 N ATOM 329 CA PRO A 24 -10.637 18.211 0.360 1.00 0.00 C ATOM 330 C PRO A 24 -10.320 19.683 0.600 1.00 0.00 C ATOM 331 O PRO A 24 -11.209 20.533 0.562 1.00 0.00 O ATOM 332 CB PRO A 24 -10.451 17.407 1.649 1.00 0.00 C ATOM 333 CG PRO A 24 -9.067 16.863 1.559 1.00 0.00 C ATOM 334 CD PRO A 24 -8.814 16.612 0.098 1.00 0.00 C ATOM 0 HA PRO A 24 -11.658 18.199 -0.022 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.572 18.037 2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.187 16.607 1.726 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.343 17.570 1.964 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.971 15.943 2.135 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.768 16.773 -0.162 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.058 15.587 -0.182 1.00 0.00 H new ATOM 342 N GLN A 25 -9.047 19.976 0.847 1.00 0.00 N ATOM 343 CA GLN A 25 -8.613 21.346 1.093 1.00 0.00 C ATOM 344 C GLN A 25 -9.148 22.288 0.019 1.00 0.00 C ATOM 345 O GLN A 25 -9.751 23.317 0.325 1.00 0.00 O ATOM 346 CB GLN A 25 -7.086 21.420 1.138 1.00 0.00 C ATOM 347 CG GLN A 25 -6.557 22.533 2.028 1.00 0.00 C ATOM 348 CD GLN A 25 -7.241 22.574 3.380 1.00 0.00 C ATOM 349 OE1 GLN A 25 -6.857 21.858 4.306 1.00 0.00 O ATOM 350 NE2 GLN A 25 -8.262 23.415 3.502 1.00 0.00 N ATOM 0 H GLN A 25 -8.299 19.283 0.882 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.013 21.659 2.057 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.695 20.466 1.492 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.708 21.564 0.126 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.485 22.400 2.171 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.695 23.491 1.526 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.547 23.990 2.709 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.761 23.486 4.389 1.00 0.00 H new ATOM 359 N PHE A 26 -8.923 21.930 -1.241 1.00 0.00 N ATOM 360 CA PHE A 26 -9.381 22.743 -2.361 1.00 0.00 C ATOM 361 C PHE A 26 -10.828 23.183 -2.158 1.00 0.00 C ATOM 362 O PHE A 26 -11.134 24.376 -2.163 1.00 0.00 O ATOM 363 CB PHE A 26 -9.252 21.964 -3.671 1.00 0.00 C ATOM 364 CG PHE A 26 -9.600 22.775 -4.887 1.00 0.00 C ATOM 365 CD1 PHE A 26 -10.899 23.207 -5.099 1.00 0.00 C ATOM 366 CD2 PHE A 26 -8.627 23.104 -5.817 1.00 0.00 C ATOM 367 CE1 PHE A 26 -11.221 23.952 -6.218 1.00 0.00 C ATOM 368 CE2 PHE A 26 -8.944 23.850 -6.938 1.00 0.00 C ATOM 369 CZ PHE A 26 -10.243 24.275 -7.137 1.00 0.00 C ATOM 0 H PHE A 26 -8.426 21.082 -1.512 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.753 23.632 -2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.230 21.599 -3.768 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.901 21.089 -3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.668 22.959 -4.383 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.610 22.774 -5.665 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.238 24.281 -6.373 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.177 24.100 -7.656 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.493 24.859 -8.010 1.00 0.00 H new ATOM 379 N LEU A 27 -11.716 22.210 -1.980 1.00 0.00 N ATOM 380 CA LEU A 27 -13.132 22.495 -1.775 1.00 0.00 C ATOM 381 C LEU A 27 -13.322 23.593 -0.734 1.00 0.00 C ATOM 382 O LEU A 27 -13.931 24.627 -1.012 1.00 0.00 O ATOM 383 CB LEU A 27 -13.869 21.228 -1.338 1.00 0.00 C ATOM 384 CG LEU A 27 -14.217 20.237 -2.449 1.00 0.00 C ATOM 385 CD1 LEU A 27 -14.416 18.842 -1.877 1.00 0.00 C ATOM 386 CD2 LEU A 27 -15.462 20.690 -3.197 1.00 0.00 C ATOM 0 H LEU A 27 -11.480 21.218 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.548 22.842 -2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.257 20.713 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.792 21.523 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.386 20.204 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.663 18.150 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.499 18.516 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.229 18.859 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.695 19.973 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.301 20.753 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.284 21.670 -3.640 1.00 0.00 H new ATOM 398 N ILE A 28 -12.796 23.362 0.464 1.00 0.00 N ATOM 399 CA ILE A 28 -12.905 24.333 1.546 1.00 0.00 C ATOM 400 C ILE A 28 -12.534 25.733 1.067 1.00 0.00 C ATOM 401 O ILE A 28 -13.361 26.644 1.087 1.00 0.00 O ATOM 402 CB ILE A 28 -12.003 23.954 2.736 1.00 0.00 C ATOM 403 CG1 ILE A 28 -12.602 22.773 3.502 1.00 0.00 C ATOM 404 CG2 ILE A 28 -11.813 25.149 3.658 1.00 0.00 C ATOM 405 CD1 ILE A 28 -12.245 21.427 2.912 1.00 0.00 C ATOM 0 H ILE A 28 -12.290 22.511 0.710 1.00 0.00 H new ATOM 0 HA ILE A 28 -13.945 24.326 1.873 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.027 23.657 2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.259 22.810 4.536 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -13.687 22.876 3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.174 24.866 4.494 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.347 25.965 3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.782 25.474 4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.704 20.636 3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -12.612 21.370 1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.162 21.303 2.917 1.00 0.00 H new ATOM 417 N GLU A 29 -11.287 25.894 0.636 1.00 0.00 N ATOM 418 CA GLU A 29 -10.808 27.183 0.152 1.00 0.00 C ATOM 419 C GLU A 29 -11.729 27.733 -0.934 1.00 0.00 C ATOM 420 O GLU A 29 -11.985 28.934 -0.996 1.00 0.00 O ATOM 421 CB GLU A 29 -9.384 27.052 -0.391 1.00 0.00 C ATOM 422 CG GLU A 29 -8.380 26.570 0.643 1.00 0.00 C ATOM 423 CD GLU A 29 -7.030 26.240 0.037 1.00 0.00 C ATOM 424 OE1 GLU A 29 -6.987 25.428 -0.911 1.00 0.00 O ATOM 425 OE2 GLU A 29 -6.016 26.795 0.511 1.00 0.00 O ATOM 0 H GLU A 29 -10.591 25.149 0.612 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.807 27.879 0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.387 26.359 -1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.061 28.019 -0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.253 27.338 1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.775 25.686 1.143 1.00 0.00 H new ATOM 432 N ASN A 30 -12.224 26.843 -1.788 1.00 0.00 N ATOM 433 CA ASN A 30 -13.115 27.238 -2.873 1.00 0.00 C ATOM 434 C ASN A 30 -14.471 26.550 -2.740 1.00 0.00 C ATOM 435 O ASN A 30 -14.751 25.545 -3.394 1.00 0.00 O ATOM 436 CB ASN A 30 -12.488 26.897 -4.226 1.00 0.00 C ATOM 437 CG ASN A 30 -10.993 27.151 -4.251 1.00 0.00 C ATOM 438 OD1 ASN A 30 -10.545 28.253 -4.570 1.00 0.00 O ATOM 439 ND2 ASN A 30 -10.214 26.130 -3.915 1.00 0.00 N ATOM 0 H ASN A 30 -12.023 25.844 -1.750 1.00 0.00 H new ATOM 0 HA ASN A 30 -13.266 28.316 -2.812 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.680 25.849 -4.459 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.968 27.489 -5.005 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.200 26.241 -3.914 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.629 25.235 -3.658 1.00 0.00 H new ATOM 446 N PRO A 31 -15.333 27.104 -1.875 1.00 0.00 N ATOM 447 CA PRO A 31 -16.674 26.562 -1.637 1.00 0.00 C ATOM 448 C PRO A 31 -17.598 26.756 -2.834 1.00 0.00 C ATOM 449 O PRO A 31 -18.772 26.385 -2.792 1.00 0.00 O ATOM 450 CB PRO A 31 -17.175 27.370 -0.438 1.00 0.00 C ATOM 451 CG PRO A 31 -16.415 28.650 -0.498 1.00 0.00 C ATOM 452 CD PRO A 31 -15.065 28.303 -1.063 1.00 0.00 C ATOM 0 HA PRO A 31 -16.654 25.486 -1.465 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.249 27.544 -0.499 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.991 26.844 0.499 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -16.926 29.378 -1.128 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -16.321 29.095 0.493 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -14.661 29.115 -1.667 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -14.339 28.101 -0.275 1.00 0.00 H new ATOM 460 N LYS A 32 -17.063 27.339 -3.901 1.00 0.00 N ATOM 461 CA LYS A 32 -17.839 27.581 -5.112 1.00 0.00 C ATOM 462 C LYS A 32 -17.429 26.619 -6.222 1.00 0.00 C ATOM 463 O LYS A 32 -17.354 26.999 -7.391 1.00 0.00 O ATOM 464 CB LYS A 32 -17.654 29.026 -5.580 1.00 0.00 C ATOM 465 CG LYS A 32 -18.476 30.031 -4.793 1.00 0.00 C ATOM 466 CD LYS A 32 -19.966 29.806 -4.987 1.00 0.00 C ATOM 467 CE LYS A 32 -20.765 31.064 -4.680 1.00 0.00 C ATOM 468 NZ LYS A 32 -20.788 32.002 -5.836 1.00 0.00 N ATOM 0 H LYS A 32 -16.094 27.653 -3.952 1.00 0.00 H new ATOM 0 HA LYS A 32 -18.891 27.413 -4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -16.600 29.292 -5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.924 29.095 -6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -18.230 29.954 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -18.216 31.042 -5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -20.157 29.494 -6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -20.300 28.995 -4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -21.786 30.790 -4.414 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -20.334 31.566 -3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -21.342 32.846 -5.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -19.816 32.284 -6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -21.223 31.532 -6.656 1.00 0.00 H new ATOM 482 N THR A 33 -17.167 25.370 -5.850 1.00 0.00 N ATOM 483 CA THR A 33 -16.765 24.354 -6.814 1.00 0.00 C ATOM 484 C THR A 33 -17.229 22.968 -6.378 1.00 0.00 C ATOM 485 O THR A 33 -17.272 22.665 -5.185 1.00 0.00 O ATOM 486 CB THR A 33 -15.237 24.334 -7.007 1.00 0.00 C ATOM 487 OG1 THR A 33 -14.764 25.652 -7.306 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.845 23.383 -8.127 1.00 0.00 C ATOM 0 H THR A 33 -17.226 25.038 -4.887 1.00 0.00 H new ATOM 0 HA THR A 33 -17.239 24.612 -7.761 1.00 0.00 H new ATOM 0 HB THR A 33 -14.781 23.986 -6.080 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.792 25.631 -7.426 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.761 23.386 -8.244 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.181 22.375 -7.883 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.312 23.705 -9.058 1.00 0.00 H new ATOM 496 N SER A 34 -17.574 22.131 -7.351 1.00 0.00 N ATOM 497 CA SER A 34 -18.037 20.778 -7.066 1.00 0.00 C ATOM 498 C SER A 34 -16.858 19.832 -6.859 1.00 0.00 C ATOM 499 O SER A 34 -15.704 20.201 -7.083 1.00 0.00 O ATOM 500 CB SER A 34 -18.920 20.268 -8.207 1.00 0.00 C ATOM 501 OG SER A 34 -20.269 20.661 -8.021 1.00 0.00 O ATOM 0 H SER A 34 -17.542 22.366 -8.343 1.00 0.00 H new ATOM 0 HA SER A 34 -18.623 20.807 -6.147 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.552 20.656 -9.157 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.858 19.181 -8.261 1.00 0.00 H new ATOM 0 HG SER A 34 -20.813 20.325 -8.764 1.00 0.00 H new ATOM 507 N LEU A 35 -17.156 18.611 -6.430 1.00 0.00 N ATOM 508 CA LEU A 35 -16.121 17.610 -6.193 1.00 0.00 C ATOM 509 C LEU A 35 -15.244 17.430 -7.427 1.00 0.00 C ATOM 510 O LEU A 35 -14.025 17.585 -7.362 1.00 0.00 O ATOM 511 CB LEU A 35 -16.756 16.274 -5.805 1.00 0.00 C ATOM 512 CG LEU A 35 -15.911 15.361 -4.916 1.00 0.00 C ATOM 513 CD1 LEU A 35 -16.789 14.341 -4.208 1.00 0.00 C ATOM 514 CD2 LEU A 35 -14.836 14.664 -5.737 1.00 0.00 C ATOM 0 H LEU A 35 -18.105 18.290 -6.239 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.494 17.959 -5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.696 16.477 -5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -17.001 15.732 -6.719 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.422 15.975 -4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -16.169 13.701 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -17.520 14.859 -3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -17.308 13.731 -4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.244 14.018 -5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.305 14.063 -6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.187 15.410 -6.196 1.00 0.00 H new ATOM 526 N GLU A 36 -15.873 17.103 -8.552 1.00 0.00 N ATOM 527 CA GLU A 36 -15.149 16.904 -9.801 1.00 0.00 C ATOM 528 C GLU A 36 -14.352 18.151 -10.173 1.00 0.00 C ATOM 529 O GLU A 36 -13.121 18.131 -10.189 1.00 0.00 O ATOM 530 CB GLU A 36 -16.121 16.551 -10.929 1.00 0.00 C ATOM 531 CG GLU A 36 -16.463 15.072 -10.999 1.00 0.00 C ATOM 532 CD GLU A 36 -17.582 14.687 -10.051 1.00 0.00 C ATOM 533 OE1 GLU A 36 -17.736 15.359 -9.010 1.00 0.00 O ATOM 534 OE2 GLU A 36 -18.304 13.713 -10.351 1.00 0.00 O ATOM 0 H GLU A 36 -16.882 16.971 -8.623 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.452 16.078 -9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -17.040 17.122 -10.797 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.688 16.860 -11.880 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.752 14.818 -12.019 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -15.575 14.486 -10.764 1.00 0.00 H new ATOM 541 N ASP A 37 -15.062 19.232 -10.472 1.00 0.00 N ATOM 542 CA ASP A 37 -14.422 20.489 -10.844 1.00 0.00 C ATOM 543 C ASP A 37 -13.206 20.760 -9.963 1.00 0.00 C ATOM 544 O ASP A 37 -12.117 21.040 -10.462 1.00 0.00 O ATOM 545 CB ASP A 37 -15.417 21.645 -10.732 1.00 0.00 C ATOM 546 CG ASP A 37 -16.300 21.770 -11.958 1.00 0.00 C ATOM 547 OD1 ASP A 37 -16.947 20.769 -12.328 1.00 0.00 O ATOM 548 OD2 ASP A 37 -16.343 22.870 -12.547 1.00 0.00 O ATOM 0 H ASP A 37 -16.081 19.264 -10.464 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.088 20.407 -11.878 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.042 21.498 -9.851 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.871 22.577 -10.584 1.00 0.00 H new ATOM 553 N ALA A 38 -13.401 20.677 -8.652 1.00 0.00 N ATOM 554 CA ALA A 38 -12.321 20.912 -7.702 1.00 0.00 C ATOM 555 C ALA A 38 -11.064 20.145 -8.098 1.00 0.00 C ATOM 556 O ALA A 38 -9.965 20.701 -8.121 1.00 0.00 O ATOM 557 CB ALA A 38 -12.758 20.523 -6.298 1.00 0.00 C ATOM 0 H ALA A 38 -14.298 20.449 -8.223 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.085 21.976 -7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.941 20.704 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.623 21.120 -6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.024 19.466 -6.279 1.00 0.00 H new ATOM 563 N THR A 39 -11.233 18.863 -8.410 1.00 0.00 N ATOM 564 CA THR A 39 -10.112 18.019 -8.804 1.00 0.00 C ATOM 565 C THR A 39 -9.527 18.468 -10.138 1.00 0.00 C ATOM 566 O THR A 39 -8.329 18.734 -10.244 1.00 0.00 O ATOM 567 CB THR A 39 -10.533 16.541 -8.913 1.00 0.00 C ATOM 568 OG1 THR A 39 -11.254 16.150 -7.739 1.00 0.00 O ATOM 569 CG2 THR A 39 -9.317 15.644 -9.090 1.00 0.00 C ATOM 0 H THR A 39 -12.135 18.387 -8.397 1.00 0.00 H new ATOM 0 HA THR A 39 -9.354 18.118 -8.027 1.00 0.00 H new ATOM 0 HB THR A 39 -11.175 16.432 -9.787 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.162 16.516 -7.776 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.639 14.605 -9.165 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.786 15.926 -9.999 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.653 15.757 -8.233 1.00 0.00 H new ATOM 577 N LEU A 40 -10.379 18.553 -11.153 1.00 0.00 N ATOM 578 CA LEU A 40 -9.946 18.972 -12.482 1.00 0.00 C ATOM 579 C LEU A 40 -8.870 20.049 -12.390 1.00 0.00 C ATOM 580 O LEU A 40 -7.952 20.095 -13.209 1.00 0.00 O ATOM 581 CB LEU A 40 -11.137 19.493 -13.287 1.00 0.00 C ATOM 582 CG LEU A 40 -12.091 18.432 -13.837 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.327 19.085 -14.436 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.387 17.568 -14.873 1.00 0.00 C ATOM 0 H LEU A 40 -11.373 18.338 -11.082 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.523 18.105 -12.989 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.708 20.173 -12.655 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.756 20.079 -14.123 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.407 17.792 -13.013 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.994 18.315 -14.822 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.843 19.660 -13.667 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.030 19.749 -15.248 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.081 16.818 -15.254 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.042 18.195 -15.696 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.533 17.071 -14.413 1.00 0.00 H new ATOM 596 N GLN A 41 -8.988 20.913 -11.386 1.00 0.00 N ATOM 597 CA GLN A 41 -8.024 21.988 -11.186 1.00 0.00 C ATOM 598 C GLN A 41 -6.773 21.474 -10.483 1.00 0.00 C ATOM 599 O GLN A 41 -5.653 21.830 -10.849 1.00 0.00 O ATOM 600 CB GLN A 41 -8.653 23.120 -10.372 1.00 0.00 C ATOM 601 CG GLN A 41 -9.851 23.766 -11.051 1.00 0.00 C ATOM 602 CD GLN A 41 -10.117 25.172 -10.551 1.00 0.00 C ATOM 603 OE1 GLN A 41 -9.194 25.972 -10.393 1.00 0.00 O ATOM 604 NE2 GLN A 41 -11.383 25.482 -10.300 1.00 0.00 N ATOM 0 H GLN A 41 -9.742 20.889 -10.699 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.736 22.371 -12.165 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.962 22.730 -9.402 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.898 23.883 -10.183 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.683 23.793 -12.128 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.735 23.151 -10.882 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.116 24.788 -10.445 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.622 26.414 -9.962 1.00 0.00 H new ATOM 613 N ILE A 42 -6.971 20.636 -9.471 1.00 0.00 N ATOM 614 CA ILE A 42 -5.859 20.073 -8.716 1.00 0.00 C ATOM 615 C ILE A 42 -4.924 19.280 -9.624 1.00 0.00 C ATOM 616 O ILE A 42 -3.705 19.434 -9.562 1.00 0.00 O ATOM 617 CB ILE A 42 -6.354 19.156 -7.582 1.00 0.00 C ATOM 618 CG1 ILE A 42 -7.240 19.941 -6.613 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.174 18.537 -6.848 1.00 0.00 C ATOM 620 CD1 ILE A 42 -8.027 19.061 -5.666 1.00 0.00 C ATOM 0 H ILE A 42 -7.892 20.332 -9.155 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.316 20.912 -8.282 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.948 18.352 -8.017 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.616 20.620 -6.032 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.934 20.557 -7.185 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.540 17.892 -6.050 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.579 17.948 -7.546 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.556 19.327 -6.421 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.633 19.685 -5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.677 18.400 -6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.339 18.464 -5.068 1.00 0.00 H new ATOM 632 N GLU A 43 -5.506 18.434 -10.469 1.00 0.00 N ATOM 633 CA GLU A 43 -4.724 17.619 -11.391 1.00 0.00 C ATOM 634 C GLU A 43 -3.773 18.485 -12.212 1.00 0.00 C ATOM 635 O GLU A 43 -2.554 18.368 -12.095 1.00 0.00 O ATOM 636 CB GLU A 43 -5.650 16.834 -12.323 1.00 0.00 C ATOM 637 CG GLU A 43 -6.049 15.472 -11.780 1.00 0.00 C ATOM 638 CD GLU A 43 -5.001 14.409 -12.046 1.00 0.00 C ATOM 639 OE1 GLU A 43 -4.218 14.575 -13.004 1.00 0.00 O ATOM 640 OE2 GLU A 43 -4.965 13.410 -11.297 1.00 0.00 O ATOM 0 H GLU A 43 -6.514 18.296 -10.534 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.132 16.918 -10.803 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.550 17.421 -12.505 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.155 16.701 -13.285 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.219 15.549 -10.706 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.993 15.167 -12.231 1.00 0.00 H new ATOM 647 N GLU A 44 -4.341 19.354 -13.042 1.00 0.00 N ATOM 648 CA GLU A 44 -3.544 20.239 -13.884 1.00 0.00 C ATOM 649 C GLU A 44 -2.530 21.015 -13.049 1.00 0.00 C ATOM 650 O GLU A 44 -1.431 21.321 -13.513 1.00 0.00 O ATOM 651 CB GLU A 44 -4.450 21.212 -14.641 1.00 0.00 C ATOM 652 CG GLU A 44 -5.244 22.136 -13.733 1.00 0.00 C ATOM 653 CD GLU A 44 -5.808 23.335 -14.471 1.00 0.00 C ATOM 654 OE1 GLU A 44 -6.366 23.145 -15.571 1.00 0.00 O ATOM 655 OE2 GLU A 44 -5.690 24.463 -13.948 1.00 0.00 O ATOM 0 H GLU A 44 -5.349 19.464 -13.150 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.003 19.625 -14.603 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.840 21.814 -15.314 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.142 20.643 -15.261 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.061 21.577 -13.277 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.603 22.482 -12.922 1.00 0.00 H new ATOM 662 N LEU A 45 -2.907 21.332 -11.815 1.00 0.00 N ATOM 663 CA LEU A 45 -2.032 22.074 -10.914 1.00 0.00 C ATOM 664 C LEU A 45 -0.816 21.238 -10.526 1.00 0.00 C ATOM 665 O LEU A 45 0.247 21.777 -10.217 1.00 0.00 O ATOM 666 CB LEU A 45 -2.797 22.494 -9.658 1.00 0.00 C ATOM 667 CG LEU A 45 -1.965 22.651 -8.385 1.00 0.00 C ATOM 668 CD1 LEU A 45 -1.057 23.866 -8.488 1.00 0.00 C ATOM 669 CD2 LEU A 45 -2.870 22.761 -7.167 1.00 0.00 C ATOM 0 H LEU A 45 -3.813 21.087 -11.416 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.686 22.966 -11.436 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.296 23.442 -9.861 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.578 21.757 -9.469 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.341 21.765 -8.270 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.472 23.962 -7.573 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.384 23.747 -9.337 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.662 24.762 -8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.261 22.872 -6.270 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.520 23.629 -7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.478 21.860 -7.083 1.00 0.00 H new ATOM 681 N TRP A 46 -0.979 19.921 -10.546 1.00 0.00 N ATOM 682 CA TRP A 46 0.106 19.010 -10.199 1.00 0.00 C ATOM 683 C TRP A 46 1.126 18.922 -11.329 1.00 0.00 C ATOM 684 O TRP A 46 2.296 18.617 -11.100 1.00 0.00 O ATOM 685 CB TRP A 46 -0.448 17.620 -9.885 1.00 0.00 C ATOM 686 CG TRP A 46 0.560 16.525 -10.065 1.00 0.00 C ATOM 687 CD1 TRP A 46 0.692 15.702 -11.147 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.574 16.132 -9.134 1.00 0.00 C ATOM 689 NE1 TRP A 46 1.728 14.822 -10.945 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.286 15.066 -9.718 1.00 0.00 C ATOM 691 CE3 TRP A 46 1.952 16.578 -7.865 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.351 14.441 -9.075 1.00 0.00 C ATOM 693 CZ3 TRP A 46 3.009 15.957 -7.228 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.699 14.898 -7.833 1.00 0.00 C ATOM 0 H TRP A 46 -1.853 19.459 -10.799 1.00 0.00 H new ATOM 0 HA TRP A 46 0.607 19.402 -9.314 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.811 17.605 -8.857 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.306 17.424 -10.529 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.073 15.738 -12.031 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.032 14.104 -11.602 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.427 17.394 -7.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 3.884 13.625 -9.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.309 16.294 -6.247 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.521 14.434 -7.309 1.00 0.00 H new ATOM 705 N LYS A 47 0.675 19.192 -12.549 1.00 0.00 N ATOM 706 CA LYS A 47 1.548 19.145 -13.716 1.00 0.00 C ATOM 707 C LYS A 47 2.385 20.416 -13.820 1.00 0.00 C ATOM 708 O LYS A 47 3.475 20.408 -14.394 1.00 0.00 O ATOM 709 CB LYS A 47 0.721 18.960 -14.990 1.00 0.00 C ATOM 710 CG LYS A 47 -0.179 17.737 -14.959 1.00 0.00 C ATOM 711 CD LYS A 47 -0.719 17.407 -16.341 1.00 0.00 C ATOM 712 CE LYS A 47 -1.993 18.180 -16.641 1.00 0.00 C ATOM 713 NZ LYS A 47 -2.285 18.223 -18.101 1.00 0.00 N ATOM 0 H LYS A 47 -0.291 19.446 -12.756 1.00 0.00 H new ATOM 0 HA LYS A 47 2.222 18.296 -13.601 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.108 19.848 -15.147 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.395 18.883 -15.843 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.378 16.884 -14.572 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.009 17.912 -14.275 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.035 17.641 -17.093 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.917 16.337 -16.410 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.830 17.718 -16.117 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.899 19.197 -16.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.161 18.759 -18.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.498 18.686 -18.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.400 17.254 -18.461 1.00 0.00 H new ATOM 727 N THR A 48 1.871 21.506 -13.261 1.00 0.00 N ATOM 728 CA THR A 48 2.571 22.784 -13.291 1.00 0.00 C ATOM 729 C THR A 48 3.327 23.027 -11.990 1.00 0.00 C ATOM 730 O THR A 48 3.759 24.147 -11.711 1.00 0.00 O ATOM 731 CB THR A 48 1.597 23.953 -13.532 1.00 0.00 C ATOM 732 OG1 THR A 48 0.650 24.030 -12.461 1.00 0.00 O ATOM 733 CG2 THR A 48 0.862 23.782 -14.853 1.00 0.00 C ATOM 0 H THR A 48 0.971 21.530 -12.781 1.00 0.00 H new ATOM 0 HA THR A 48 3.281 22.736 -14.117 1.00 0.00 H new ATOM 0 HB THR A 48 2.175 24.876 -13.573 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.035 24.776 -12.621 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.180 24.619 -15.001 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.583 23.753 -15.670 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.295 22.851 -14.836 1.00 0.00 H new ATOM 741 N LEU A 49 3.485 21.973 -11.197 1.00 0.00 N ATOM 742 CA LEU A 49 4.191 22.072 -9.924 1.00 0.00 C ATOM 743 C LEU A 49 5.696 22.182 -10.143 1.00 0.00 C ATOM 744 O LEU A 49 6.167 22.222 -11.280 1.00 0.00 O ATOM 745 CB LEU A 49 3.878 20.857 -9.050 1.00 0.00 C ATOM 746 CG LEU A 49 2.665 20.987 -8.129 1.00 0.00 C ATOM 747 CD1 LEU A 49 2.395 19.672 -7.413 1.00 0.00 C ATOM 748 CD2 LEU A 49 2.876 22.110 -7.124 1.00 0.00 C ATOM 0 H LEU A 49 3.134 21.040 -11.413 1.00 0.00 H new ATOM 0 HA LEU A 49 3.850 22.974 -9.416 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.724 19.996 -9.701 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.753 20.641 -8.437 1.00 0.00 H new ATOM 0 HG LEU A 49 1.795 21.231 -8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.528 19.784 -6.762 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.199 18.891 -8.148 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.265 19.398 -6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.002 22.188 -6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.758 21.896 -6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.019 23.051 -7.655 1.00 0.00 H new ATOM 760 N SER A 50 6.447 22.229 -9.047 1.00 0.00 N ATOM 761 CA SER A 50 7.899 22.335 -9.120 1.00 0.00 C ATOM 762 C SER A 50 8.548 20.955 -9.075 1.00 0.00 C ATOM 763 O SER A 50 8.056 20.048 -8.404 1.00 0.00 O ATOM 764 CB SER A 50 8.426 23.197 -7.970 1.00 0.00 C ATOM 765 OG SER A 50 8.090 24.560 -8.159 1.00 0.00 O ATOM 0 H SER A 50 6.074 22.195 -8.098 1.00 0.00 H new ATOM 0 HA SER A 50 8.157 22.807 -10.068 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.010 22.844 -7.026 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.509 23.092 -7.900 1.00 0.00 H new ATOM 0 HG SER A 50 8.436 25.089 -7.410 1.00 0.00 H new ATOM 771 N GLU A 51 9.656 20.805 -9.795 1.00 0.00 N ATOM 772 CA GLU A 51 10.372 19.536 -9.838 1.00 0.00 C ATOM 773 C GLU A 51 10.463 18.915 -8.447 1.00 0.00 C ATOM 774 O GLU A 51 9.977 17.808 -8.219 1.00 0.00 O ATOM 775 CB GLU A 51 11.776 19.737 -10.412 1.00 0.00 C ATOM 776 CG GLU A 51 11.797 19.912 -11.921 1.00 0.00 C ATOM 777 CD GLU A 51 11.088 21.175 -12.372 1.00 0.00 C ATOM 778 OE1 GLU A 51 9.849 21.136 -12.524 1.00 0.00 O ATOM 779 OE2 GLU A 51 11.772 22.201 -12.572 1.00 0.00 O ATOM 0 H GLU A 51 10.076 21.546 -10.356 1.00 0.00 H new ATOM 0 HA GLU A 51 9.817 18.856 -10.484 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.228 20.613 -9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.395 18.880 -10.145 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.831 19.937 -12.266 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.326 19.048 -12.390 1.00 0.00 H new ATOM 786 N GLU A 52 11.089 19.636 -7.523 1.00 0.00 N ATOM 787 CA GLU A 52 11.245 19.155 -6.155 1.00 0.00 C ATOM 788 C GLU A 52 9.896 18.764 -5.559 1.00 0.00 C ATOM 789 O GLU A 52 9.731 17.659 -5.044 1.00 0.00 O ATOM 790 CB GLU A 52 11.908 20.227 -5.287 1.00 0.00 C ATOM 791 CG GLU A 52 11.070 21.485 -5.128 1.00 0.00 C ATOM 792 CD GLU A 52 11.846 22.626 -4.498 1.00 0.00 C ATOM 793 OE1 GLU A 52 12.246 22.494 -3.323 1.00 0.00 O ATOM 794 OE2 GLU A 52 12.052 23.650 -5.181 1.00 0.00 O ATOM 0 H GLU A 52 11.496 20.555 -7.696 1.00 0.00 H new ATOM 0 HA GLU A 52 11.882 18.271 -6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.112 19.809 -4.301 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.870 20.494 -5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.701 21.797 -6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.198 21.261 -4.514 1.00 0.00 H new ATOM 801 N GLU A 53 8.935 19.679 -5.634 1.00 0.00 N ATOM 802 CA GLU A 53 7.601 19.430 -5.100 1.00 0.00 C ATOM 803 C GLU A 53 7.095 18.053 -5.521 1.00 0.00 C ATOM 804 O GLU A 53 6.390 17.381 -4.767 1.00 0.00 O ATOM 805 CB GLU A 53 6.627 20.511 -5.576 1.00 0.00 C ATOM 806 CG GLU A 53 5.257 20.424 -4.926 1.00 0.00 C ATOM 807 CD GLU A 53 5.167 21.227 -3.643 1.00 0.00 C ATOM 808 OE1 GLU A 53 5.307 22.466 -3.707 1.00 0.00 O ATOM 809 OE2 GLU A 53 4.957 20.615 -2.574 1.00 0.00 O ATOM 0 H GLU A 53 9.055 20.599 -6.059 1.00 0.00 H new ATOM 0 HA GLU A 53 7.661 19.459 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.056 21.491 -5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.512 20.434 -6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.503 20.781 -5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.025 19.380 -4.714 1.00 0.00 H new ATOM 816 N LYS A 54 7.459 17.640 -6.730 1.00 0.00 N ATOM 817 CA LYS A 54 7.044 16.344 -7.253 1.00 0.00 C ATOM 818 C LYS A 54 7.915 15.226 -6.690 1.00 0.00 C ATOM 819 O LYS A 54 7.409 14.198 -6.237 1.00 0.00 O ATOM 820 CB LYS A 54 7.116 16.341 -8.781 1.00 0.00 C ATOM 821 CG LYS A 54 5.984 17.107 -9.445 1.00 0.00 C ATOM 822 CD LYS A 54 6.136 17.126 -10.957 1.00 0.00 C ATOM 823 CE LYS A 54 4.789 17.259 -11.651 1.00 0.00 C ATOM 824 NZ LYS A 54 4.868 16.887 -13.091 1.00 0.00 N ATOM 0 H LYS A 54 8.041 18.185 -7.367 1.00 0.00 H new ATOM 0 HA LYS A 54 6.014 16.168 -6.944 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.067 16.773 -9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.103 15.310 -9.135 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.030 16.651 -9.180 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.964 18.129 -9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.780 17.956 -11.249 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.627 16.210 -11.286 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.059 16.623 -11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.433 18.285 -11.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.923 16.958 -13.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.521 17.532 -13.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.215 15.911 -13.179 1.00 0.00 H new ATOM 838 N LEU A 55 9.227 15.432 -6.720 1.00 0.00 N ATOM 839 CA LEU A 55 10.170 14.442 -6.211 1.00 0.00 C ATOM 840 C LEU A 55 9.774 13.983 -4.812 1.00 0.00 C ATOM 841 O LEU A 55 9.432 12.819 -4.601 1.00 0.00 O ATOM 842 CB LEU A 55 11.586 15.020 -6.190 1.00 0.00 C ATOM 843 CG LEU A 55 12.405 14.837 -7.468 1.00 0.00 C ATOM 844 CD1 LEU A 55 12.632 13.360 -7.749 1.00 0.00 C ATOM 845 CD2 LEU A 55 11.712 15.506 -8.646 1.00 0.00 C ATOM 0 H LEU A 55 9.662 16.276 -7.092 1.00 0.00 H new ATOM 0 HA LEU A 55 10.148 13.579 -6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.518 16.087 -5.975 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.131 14.563 -5.364 1.00 0.00 H new ATOM 0 HG LEU A 55 13.376 15.312 -7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.217 13.249 -8.662 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.172 12.910 -6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.671 12.861 -7.871 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.309 15.366 -9.547 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.728 15.060 -8.790 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.602 16.572 -8.446 1.00 0.00 H new ATOM 857 N LYS A 56 9.821 14.906 -3.857 1.00 0.00 N ATOM 858 CA LYS A 56 9.464 14.598 -2.477 1.00 0.00 C ATOM 859 C LYS A 56 8.329 13.581 -2.422 1.00 0.00 C ATOM 860 O LYS A 56 8.383 12.617 -1.658 1.00 0.00 O ATOM 861 CB LYS A 56 9.056 15.874 -1.737 1.00 0.00 C ATOM 862 CG LYS A 56 7.813 16.536 -2.307 1.00 0.00 C ATOM 863 CD LYS A 56 7.693 17.981 -1.854 1.00 0.00 C ATOM 864 CE LYS A 56 7.482 18.079 -0.351 1.00 0.00 C ATOM 865 NZ LYS A 56 7.274 19.486 0.090 1.00 0.00 N ATOM 0 H LYS A 56 10.103 15.874 -4.014 1.00 0.00 H new ATOM 0 HA LYS A 56 10.338 14.166 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.882 15.636 -0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.883 16.583 -1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.846 16.497 -3.396 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.928 15.981 -1.994 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.595 18.526 -2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.860 18.457 -2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.619 17.478 -0.066 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.346 17.661 0.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.134 19.510 1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.108 20.055 -0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.434 19.877 -0.383 1.00 0.00 H new ATOM 879 N TYR A 57 7.304 13.801 -3.237 1.00 0.00 N ATOM 880 CA TYR A 57 6.155 12.904 -3.280 1.00 0.00 C ATOM 881 C TYR A 57 6.527 11.573 -3.927 1.00 0.00 C ATOM 882 O TYR A 57 6.308 10.508 -3.351 1.00 0.00 O ATOM 883 CB TYR A 57 5.003 13.553 -4.049 1.00 0.00 C ATOM 884 CG TYR A 57 4.072 14.362 -3.175 1.00 0.00 C ATOM 885 CD1 TYR A 57 4.322 15.705 -2.917 1.00 0.00 C ATOM 886 CD2 TYR A 57 2.943 13.785 -2.606 1.00 0.00 C ATOM 887 CE1 TYR A 57 3.475 16.449 -2.118 1.00 0.00 C ATOM 888 CE2 TYR A 57 2.090 14.522 -1.807 1.00 0.00 C ATOM 889 CZ TYR A 57 2.360 15.853 -1.566 1.00 0.00 C ATOM 890 OH TYR A 57 1.513 16.590 -0.771 1.00 0.00 O ATOM 0 H TYR A 57 7.245 14.593 -3.877 1.00 0.00 H new ATOM 0 HA TYR A 57 5.837 12.713 -2.255 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.414 14.200 -4.824 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.430 12.775 -4.553 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.193 16.175 -3.349 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.729 12.743 -2.791 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.685 17.491 -1.927 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.216 14.058 -1.373 1.00 0.00 H new ATOM 0 HH TYR A 57 0.591 16.284 -0.903 1.00 0.00 H new ATOM 900 N GLU A 58 7.093 11.644 -5.128 1.00 0.00 N ATOM 901 CA GLU A 58 7.496 10.446 -5.854 1.00 0.00 C ATOM 902 C GLU A 58 8.199 9.458 -4.926 1.00 0.00 C ATOM 903 O GLU A 58 7.905 8.263 -4.938 1.00 0.00 O ATOM 904 CB GLU A 58 8.419 10.814 -7.018 1.00 0.00 C ATOM 905 CG GLU A 58 7.677 11.128 -8.306 1.00 0.00 C ATOM 906 CD GLU A 58 7.435 9.896 -9.156 1.00 0.00 C ATOM 907 OE1 GLU A 58 7.081 8.843 -8.585 1.00 0.00 O ATOM 908 OE2 GLU A 58 7.598 9.984 -10.390 1.00 0.00 O ATOM 0 H GLU A 58 7.283 12.518 -5.618 1.00 0.00 H new ATOM 0 HA GLU A 58 6.597 9.972 -6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.020 11.678 -6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.110 9.990 -7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.721 11.592 -8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.249 11.855 -8.882 1.00 0.00 H new ATOM 915 N GLU A 59 9.129 9.968 -4.124 1.00 0.00 N ATOM 916 CA GLU A 59 9.874 9.130 -3.192 1.00 0.00 C ATOM 917 C GLU A 59 8.927 8.311 -2.320 1.00 0.00 C ATOM 918 O GLU A 59 9.212 7.161 -1.984 1.00 0.00 O ATOM 919 CB GLU A 59 10.780 9.992 -2.310 1.00 0.00 C ATOM 920 CG GLU A 59 11.959 10.595 -3.054 1.00 0.00 C ATOM 921 CD GLU A 59 13.020 11.144 -2.119 1.00 0.00 C ATOM 922 OE1 GLU A 59 12.896 12.316 -1.705 1.00 0.00 O ATOM 923 OE2 GLU A 59 13.973 10.402 -1.802 1.00 0.00 O ATOM 0 H GLU A 59 9.384 10.955 -4.101 1.00 0.00 H new ATOM 0 HA GLU A 59 10.490 8.444 -3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.188 10.796 -1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.154 9.385 -1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.404 9.836 -3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.603 11.395 -3.704 1.00 0.00 H new ATOM 930 N LYS A 60 7.799 8.911 -1.956 1.00 0.00 N ATOM 931 CA LYS A 60 6.808 8.239 -1.124 1.00 0.00 C ATOM 932 C LYS A 60 6.073 7.162 -1.916 1.00 0.00 C ATOM 933 O LYS A 60 5.715 6.116 -1.374 1.00 0.00 O ATOM 934 CB LYS A 60 5.804 9.253 -0.570 1.00 0.00 C ATOM 935 CG LYS A 60 6.246 9.896 0.733 1.00 0.00 C ATOM 936 CD LYS A 60 5.627 11.272 0.914 1.00 0.00 C ATOM 937 CE LYS A 60 4.139 11.178 1.214 1.00 0.00 C ATOM 938 NZ LYS A 60 3.332 11.010 -0.026 1.00 0.00 N ATOM 0 H LYS A 60 7.548 9.863 -2.224 1.00 0.00 H new ATOM 0 HA LYS A 60 7.330 7.763 -0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.640 10.033 -1.313 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.847 8.756 -0.414 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.964 9.256 1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.333 9.980 0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.131 11.795 1.727 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.781 11.863 0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.956 10.337 1.883 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.817 12.078 1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.509 11.645 0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.916 11.243 -0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.007 10.025 -0.098 1.00 0.00 H new ATOM 952 N ALA A 61 5.853 7.424 -3.200 1.00 0.00 N ATOM 953 CA ALA A 61 5.165 6.475 -4.066 1.00 0.00 C ATOM 954 C ALA A 61 6.085 5.325 -4.462 1.00 0.00 C ATOM 955 O ALA A 61 5.811 4.163 -4.159 1.00 0.00 O ATOM 956 CB ALA A 61 4.636 7.180 -5.306 1.00 0.00 C ATOM 0 H ALA A 61 6.141 8.286 -3.663 1.00 0.00 H new ATOM 0 HA ALA A 61 4.324 6.059 -3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.124 6.459 -5.944 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.937 7.962 -5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.467 7.624 -5.854 1.00 0.00 H new ATOM 962 N THR A 62 7.179 5.655 -5.141 1.00 0.00 N ATOM 963 CA THR A 62 8.139 4.650 -5.580 1.00 0.00 C ATOM 964 C THR A 62 8.332 3.574 -4.518 1.00 0.00 C ATOM 965 O THR A 62 8.229 2.380 -4.802 1.00 0.00 O ATOM 966 CB THR A 62 9.504 5.282 -5.908 1.00 0.00 C ATOM 967 OG1 THR A 62 10.439 4.264 -6.283 1.00 0.00 O ATOM 968 CG2 THR A 62 10.043 6.057 -4.714 1.00 0.00 C ATOM 0 H THR A 62 7.422 6.611 -5.399 1.00 0.00 H new ATOM 0 HA THR A 62 7.731 4.197 -6.483 1.00 0.00 H new ATOM 0 HB THR A 62 9.368 5.974 -6.739 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.304 4.675 -6.491 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.008 6.494 -4.970 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.344 6.850 -4.449 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.164 5.382 -3.867 1.00 0.00 H new ATOM 976 N LYS A 63 8.612 4.002 -3.292 1.00 0.00 N ATOM 977 CA LYS A 63 8.818 3.076 -2.185 1.00 0.00 C ATOM 978 C LYS A 63 7.648 2.105 -2.064 1.00 0.00 C ATOM 979 O LYS A 63 7.835 0.928 -1.753 1.00 0.00 O ATOM 980 CB LYS A 63 8.993 3.846 -0.874 1.00 0.00 C ATOM 981 CG LYS A 63 9.829 3.108 0.157 1.00 0.00 C ATOM 982 CD LYS A 63 8.969 2.216 1.037 1.00 0.00 C ATOM 983 CE LYS A 63 8.385 2.988 2.211 1.00 0.00 C ATOM 984 NZ LYS A 63 7.814 2.079 3.243 1.00 0.00 N ATOM 0 H LYS A 63 8.702 4.986 -3.040 1.00 0.00 H new ATOM 0 HA LYS A 63 9.724 2.504 -2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.459 4.808 -1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.010 4.055 -0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.582 2.504 -0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.362 3.828 0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.161 1.788 0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.567 1.384 1.409 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.161 3.607 2.661 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.608 3.663 1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.426 2.643 4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.056 1.506 2.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.561 1.452 3.605 1.00 0.00 H new ATOM 998 N ASP A 64 6.442 2.604 -2.312 1.00 0.00 N ATOM 999 CA ASP A 64 5.242 1.780 -2.233 1.00 0.00 C ATOM 1000 C ASP A 64 5.180 0.798 -3.399 1.00 0.00 C ATOM 1001 O ASP A 64 4.673 -0.316 -3.260 1.00 0.00 O ATOM 1002 CB ASP A 64 3.992 2.661 -2.225 1.00 0.00 C ATOM 1003 CG ASP A 64 3.467 2.934 -3.621 1.00 0.00 C ATOM 1004 OD1 ASP A 64 3.108 1.964 -4.320 1.00 0.00 O ATOM 1005 OD2 ASP A 64 3.416 4.119 -4.014 1.00 0.00 O ATOM 0 H ASP A 64 6.270 3.576 -2.570 1.00 0.00 H new ATOM 0 HA ASP A 64 5.282 1.211 -1.304 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.214 2.177 -1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.221 3.607 -1.735 1.00 0.00 H new ATOM 1010 N LEU A 65 5.696 1.218 -4.548 1.00 0.00 N ATOM 1011 CA LEU A 65 5.699 0.377 -5.740 1.00 0.00 C ATOM 1012 C LEU A 65 5.915 -1.088 -5.372 1.00 0.00 C ATOM 1013 O LEU A 65 5.381 -1.986 -6.021 1.00 0.00 O ATOM 1014 CB LEU A 65 6.787 0.836 -6.711 1.00 0.00 C ATOM 1015 CG LEU A 65 6.706 0.268 -8.128 1.00 0.00 C ATOM 1016 CD1 LEU A 65 5.735 1.077 -8.973 1.00 0.00 C ATOM 1017 CD2 LEU A 65 8.085 0.244 -8.773 1.00 0.00 C ATOM 0 H LEU A 65 6.118 2.137 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 65 4.727 0.472 -6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.754 1.924 -6.775 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.757 0.571 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 65 6.337 -0.756 -8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.691 0.658 -9.978 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.744 1.042 -8.521 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.074 2.112 -9.026 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.008 -0.163 -9.781 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.482 1.258 -8.821 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.753 -0.380 -8.180 1.00 0.00 H new