USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 558 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.65 K(o=-0.65,f=-4.3!) USER MOD Single : A 16 HIS :FLIP no HE2:sc= -4.92! C(o=-5.6!,f=-4.9!) USER MOD Single : A 18 THR OG1 : rot 80:sc= -2.42! USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 28 CYS SG : rot 148:sc= -5.19! USER MOD Single : A 35 CYS SG : rot 86:sc= -8.61! USER MOD Single : A 36 LYS NZ :NH3+ 143:sc= 0.212 (180deg=-0.53) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 HIS :FLIP no HE2:sc= -0.4 F(o=-2.6!,f=-0.4) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.985 K(o=-0.98,f=-1.8!) USER MOD Single : A 62 MET CE :methyl -161:sc= -7.09! (180deg=-8.27!) USER MOD Single : A 67 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.022) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0693 K(o=-0.069,f=-1.1) USER MOD Single : A 74 ASN :FLIP amide:sc=-0.00963 F(o=-1,f=-0.0096) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 4 -4.043 -1.920 -11.230 1.00 0.00 N ATOM 77 CA MET A 4 -3.049 -2.774 -10.592 1.00 0.00 C ATOM 78 C MET A 4 -3.387 -2.966 -9.120 1.00 0.00 C ATOM 79 O MET A 4 -4.411 -2.475 -8.646 1.00 0.00 O ATOM 80 CB MET A 4 -1.650 -2.174 -10.747 1.00 0.00 C ATOM 81 CG MET A 4 -1.133 -2.207 -12.175 1.00 0.00 C ATOM 82 SD MET A 4 0.642 -2.509 -12.265 1.00 0.00 S ATOM 83 CE MET A 4 0.969 -2.097 -13.977 1.00 0.00 C ATOM 0 HA MET A 4 -3.061 -3.748 -11.081 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.665 -1.142 -10.398 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.957 -2.717 -10.105 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.658 -2.985 -12.729 1.00 0.00 H new ATOM 0 HG3 MET A 4 -1.361 -1.259 -12.662 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.030 -2.234 -14.188 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.383 -2.747 -14.626 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.694 -1.058 -14.160 1.00 0.00 H new ATOM 93 N PHE A 5 -2.536 -3.688 -8.398 1.00 0.00 N ATOM 94 CA PHE A 5 -2.785 -3.941 -6.985 1.00 0.00 C ATOM 95 C PHE A 5 -1.523 -3.790 -6.144 1.00 0.00 C ATOM 96 O PHE A 5 -0.405 -3.813 -6.656 1.00 0.00 O ATOM 97 CB PHE A 5 -3.360 -5.346 -6.796 1.00 0.00 C ATOM 98 CG PHE A 5 -2.496 -6.430 -7.377 1.00 0.00 C ATOM 99 CD1 PHE A 5 -1.830 -7.320 -6.551 1.00 0.00 C ATOM 100 CD2 PHE A 5 -2.352 -6.559 -8.750 1.00 0.00 C ATOM 101 CE1 PHE A 5 -1.036 -8.319 -7.082 1.00 0.00 C ATOM 102 CE2 PHE A 5 -1.559 -7.555 -9.287 1.00 0.00 C ATOM 103 CZ PHE A 5 -0.901 -8.436 -8.451 1.00 0.00 C ATOM 0 H PHE A 5 -1.679 -4.103 -8.763 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.504 -3.196 -6.645 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.498 -5.534 -5.731 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.346 -5.392 -7.258 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.932 -7.232 -5.479 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.866 -5.873 -9.407 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.522 -9.007 -6.427 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.454 -7.644 -10.358 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.281 -9.216 -8.868 1.00 0.00 H new ATOM 113 N LEU A 6 -1.733 -3.636 -4.842 1.00 0.00 N ATOM 114 CA LEU A 6 -0.644 -3.479 -3.889 1.00 0.00 C ATOM 115 C LEU A 6 -0.792 -4.468 -2.736 1.00 0.00 C ATOM 116 O LEU A 6 -1.903 -4.727 -2.269 1.00 0.00 O ATOM 117 CB LEU A 6 -0.628 -2.054 -3.345 1.00 0.00 C ATOM 118 CG LEU A 6 -1.950 -1.590 -2.744 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.988 -1.882 -1.253 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.171 -0.108 -3.013 1.00 0.00 C ATOM 0 H LEU A 6 -2.661 -3.617 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 6 0.296 -3.680 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.149 -1.978 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.352 -1.374 -4.151 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.759 -2.144 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.939 -1.544 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.882 -2.954 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.171 -1.357 -0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.120 0.204 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.360 0.468 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.192 0.067 -4.089 1.00 0.00 H new ATOM 132 N THR A 7 0.332 -5.013 -2.282 1.00 0.00 N ATOM 133 CA THR A 7 0.331 -5.971 -1.177 1.00 0.00 C ATOM 134 C THR A 7 0.571 -5.261 0.149 1.00 0.00 C ATOM 135 O THR A 7 1.662 -4.754 0.403 1.00 0.00 O ATOM 136 CB THR A 7 1.400 -7.045 -1.380 1.00 0.00 C ATOM 137 OG1 THR A 7 1.227 -7.704 -2.623 1.00 0.00 O ATOM 138 CG2 THR A 7 1.392 -8.097 -0.287 1.00 0.00 C ATOM 0 H THR A 7 1.257 -4.809 -2.661 1.00 0.00 H new ATOM 0 HA THR A 7 -0.648 -6.449 -1.157 1.00 0.00 H new ATOM 0 HB THR A 7 2.354 -6.519 -1.353 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.923 -8.385 -2.732 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.172 -8.833 -0.484 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.577 -7.622 0.677 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.422 -8.593 -0.267 1.00 0.00 H new ATOM 146 N VAL A 8 -0.455 -5.233 0.990 1.00 0.00 N ATOM 147 CA VAL A 8 -0.365 -4.581 2.293 1.00 0.00 C ATOM 148 C VAL A 8 -0.039 -5.592 3.388 1.00 0.00 C ATOM 149 O VAL A 8 -0.320 -6.775 3.250 1.00 0.00 O ATOM 150 CB VAL A 8 -1.676 -3.856 2.652 1.00 0.00 C ATOM 151 CG1 VAL A 8 -1.399 -2.652 3.539 1.00 0.00 C ATOM 152 CG2 VAL A 8 -2.428 -3.437 1.396 1.00 0.00 C ATOM 0 H VAL A 8 -1.362 -5.655 0.793 1.00 0.00 H new ATOM 0 HA VAL A 8 0.438 -3.847 2.226 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.306 -4.552 3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.338 -2.154 3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.916 -2.981 4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.744 -1.956 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.350 -2.927 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.806 -2.763 0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.668 -4.320 0.804 1.00 0.00 H new ATOM 162 N TYR A 9 0.560 -5.116 4.475 1.00 0.00 N ATOM 163 CA TYR A 9 0.929 -5.981 5.588 1.00 0.00 C ATOM 164 C TYR A 9 0.096 -5.669 6.808 1.00 0.00 C ATOM 165 O TYR A 9 -0.120 -4.502 7.155 1.00 0.00 O ATOM 166 CB TYR A 9 2.416 -5.844 5.907 1.00 0.00 C ATOM 167 CG TYR A 9 3.295 -6.715 5.040 1.00 0.00 C ATOM 168 CD1 TYR A 9 4.277 -7.520 5.601 1.00 0.00 C ATOM 169 CD2 TYR A 9 3.145 -6.731 3.658 1.00 0.00 C ATOM 170 CE1 TYR A 9 5.085 -8.316 4.812 1.00 0.00 C ATOM 171 CE2 TYR A 9 3.948 -7.524 2.861 1.00 0.00 C ATOM 172 CZ TYR A 9 4.918 -8.314 3.442 1.00 0.00 C ATOM 173 OH TYR A 9 5.720 -9.105 2.653 1.00 0.00 O ATOM 0 H TYR A 9 0.800 -4.134 4.608 1.00 0.00 H new ATOM 0 HA TYR A 9 0.733 -7.012 5.295 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.713 -4.803 5.783 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.581 -6.100 6.953 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.412 -7.524 6.673 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.388 -6.113 3.199 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.844 -8.937 5.265 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.817 -7.525 1.789 1.00 0.00 H new ATOM 0 HH TYR A 9 5.472 -8.987 1.712 1.00 0.00 H new ATOM 183 N LEU A 10 -0.383 -6.727 7.443 1.00 0.00 N ATOM 184 CA LEU A 10 -1.219 -6.583 8.613 1.00 0.00 C ATOM 185 C LEU A 10 -0.961 -7.683 9.635 1.00 0.00 C ATOM 186 O LEU A 10 -0.727 -8.840 9.288 1.00 0.00 O ATOM 187 CB LEU A 10 -2.688 -6.549 8.184 1.00 0.00 C ATOM 188 CG LEU A 10 -3.356 -7.893 7.877 1.00 0.00 C ATOM 189 CD1 LEU A 10 -2.481 -8.747 6.972 1.00 0.00 C ATOM 190 CD2 LEU A 10 -3.699 -8.633 9.160 1.00 0.00 C ATOM 0 H LEU A 10 -0.205 -7.692 7.164 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.970 -5.643 9.106 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.260 -6.059 8.972 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.767 -5.921 7.296 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.286 -7.691 7.345 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.981 -9.695 6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.308 -8.222 6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.526 -8.937 7.463 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.172 -9.584 8.916 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.788 -8.817 9.729 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.384 -8.030 9.756 1.00 0.00 H new ATOM 241 N GLU A 14 5.713 -10.828 9.373 1.00 0.00 N ATOM 242 CA GLU A 14 6.261 -10.396 8.093 1.00 0.00 C ATOM 243 C GLU A 14 5.832 -11.333 6.967 1.00 0.00 C ATOM 244 O GLU A 14 6.463 -11.374 5.911 1.00 0.00 O ATOM 245 CB GLU A 14 7.787 -10.332 8.165 1.00 0.00 C ATOM 246 CG GLU A 14 8.312 -9.100 8.882 1.00 0.00 C ATOM 247 CD GLU A 14 9.505 -9.403 9.766 1.00 0.00 C ATOM 248 OE1 GLU A 14 9.430 -10.370 10.554 1.00 0.00 O ATOM 249 OE2 GLU A 14 10.516 -8.675 9.671 1.00 0.00 O ATOM 0 HA GLU A 14 5.870 -9.401 7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.156 -11.223 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.191 -10.353 7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.593 -8.348 8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.515 -8.670 9.489 1.00 0.00 H new ATOM 256 N GLN A 15 4.760 -12.088 7.196 1.00 0.00 N ATOM 257 CA GLN A 15 4.262 -13.022 6.193 1.00 0.00 C ATOM 258 C GLN A 15 2.767 -12.862 5.964 1.00 0.00 C ATOM 259 O GLN A 15 2.233 -13.415 5.001 1.00 0.00 O ATOM 260 CB GLN A 15 4.584 -14.463 6.595 1.00 0.00 C ATOM 261 CG GLN A 15 5.827 -15.020 5.921 1.00 0.00 C ATOM 262 CD GLN A 15 5.617 -15.290 4.444 1.00 0.00 C ATOM 263 OE1 GLN A 15 4.870 -14.579 3.771 1.00 0.00 O ATOM 264 NE2 GLN A 15 6.276 -16.322 3.932 1.00 0.00 N ATOM 0 H GLN A 15 4.223 -12.071 8.063 1.00 0.00 H new ATOM 0 HA GLN A 15 4.767 -12.792 5.255 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.716 -14.509 7.676 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.733 -15.098 6.350 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.650 -14.316 6.045 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.122 -15.945 6.417 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.885 -16.884 4.527 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.174 -16.553 2.944 1.00 0.00 H new ATOM 273 N HIS A 16 2.082 -12.081 6.803 1.00 0.00 N ATOM 274 CA HIS A 16 0.664 -11.876 6.573 1.00 0.00 C ATOM 275 C HIS A 16 0.480 -10.533 5.901 1.00 0.00 C ATOM 276 O HIS A 16 0.887 -9.493 6.418 1.00 0.00 O ATOM 277 CB HIS A 16 -0.119 -11.910 7.886 1.00 0.00 C ATOM 278 CG HIS A 16 -1.603 -11.931 7.695 1.00 0.00 C ATOM 279 ND1 HIS A 16 -2.357 -12.329 6.643 1.00 0.00 N flip ATOM 280 CD2 HIS A 16 -2.490 -11.491 8.655 1.00 0.00 C flip ATOM 281 CE1 HIS A 16 -3.671 -12.122 6.984 1.00 0.00 C flip ATOM 282 NE2 HIS A 16 -3.724 -11.617 8.203 1.00 0.00 N flip ATOM 0 H HIS A 16 2.472 -11.601 7.614 1.00 0.00 H new ATOM 0 HA HIS A 16 0.284 -12.677 5.939 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.179 -12.791 8.455 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.150 -11.039 8.483 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -2.013 -12.711 5.762 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -2.218 -11.104 9.626 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.523 -12.337 6.357 1.00 0.00 H new ATOM 291 N PHE A 17 -0.126 -10.577 4.734 1.00 0.00 N ATOM 292 CA PHE A 17 -0.373 -9.390 3.945 1.00 0.00 C ATOM 293 C PHE A 17 -1.700 -9.492 3.234 1.00 0.00 C ATOM 294 O PHE A 17 -2.213 -10.588 3.010 1.00 0.00 O ATOM 295 CB PHE A 17 0.737 -9.201 2.920 1.00 0.00 C ATOM 296 CG PHE A 17 1.084 -10.475 2.219 1.00 0.00 C ATOM 297 CD1 PHE A 17 2.193 -11.218 2.608 1.00 0.00 C ATOM 298 CD2 PHE A 17 0.290 -10.938 1.177 1.00 0.00 C ATOM 299 CE1 PHE A 17 2.510 -12.396 1.970 1.00 0.00 C ATOM 300 CE2 PHE A 17 0.607 -12.122 0.533 1.00 0.00 C ATOM 301 CZ PHE A 17 1.718 -12.851 0.930 1.00 0.00 C ATOM 0 H PHE A 17 -0.462 -11.439 4.305 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.396 -8.532 4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.428 -8.457 2.186 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.624 -8.809 3.417 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.813 -10.867 3.420 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.577 -10.373 0.868 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.375 -12.964 2.280 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.011 -12.478 -0.278 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.965 -13.774 0.427 1.00 0.00 H new ATOM 311 N THR A 18 -2.224 -8.360 2.828 1.00 0.00 N ATOM 312 CA THR A 18 -3.458 -8.345 2.080 1.00 0.00 C ATOM 313 C THR A 18 -3.272 -7.521 0.817 1.00 0.00 C ATOM 314 O THR A 18 -3.037 -6.314 0.877 1.00 0.00 O ATOM 315 CB THR A 18 -4.609 -7.797 2.926 1.00 0.00 C ATOM 316 OG1 THR A 18 -5.833 -7.870 2.217 1.00 0.00 O ATOM 317 CG2 THR A 18 -4.408 -6.360 3.350 1.00 0.00 C ATOM 0 H THR A 18 -1.817 -7.441 3.002 1.00 0.00 H new ATOM 0 HA THR A 18 -3.717 -9.367 1.804 1.00 0.00 H new ATOM 0 HB THR A 18 -4.633 -8.422 3.819 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.185 -8.783 2.265 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.260 -6.034 3.947 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.497 -6.280 3.944 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.321 -5.728 2.466 1.00 0.00 H new ATOM 325 N GLU A 19 -3.364 -8.183 -0.329 1.00 0.00 N ATOM 326 CA GLU A 19 -3.190 -7.510 -1.607 1.00 0.00 C ATOM 327 C GLU A 19 -4.532 -7.068 -2.156 1.00 0.00 C ATOM 328 O GLU A 19 -5.568 -7.650 -1.832 1.00 0.00 O ATOM 329 CB GLU A 19 -2.479 -8.419 -2.608 1.00 0.00 C ATOM 330 CG GLU A 19 -2.893 -9.880 -2.524 1.00 0.00 C ATOM 331 CD GLU A 19 -1.969 -10.698 -1.643 1.00 0.00 C ATOM 332 OE1 GLU A 19 -2.320 -10.929 -0.467 1.00 0.00 O ATOM 333 OE2 GLU A 19 -0.895 -11.109 -2.130 1.00 0.00 O ATOM 0 H GLU A 19 -3.558 -9.182 -0.399 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.569 -6.628 -1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.675 -8.054 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.403 -8.348 -2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.910 -9.944 -2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.907 -10.308 -3.526 1.00 0.00 H new ATOM 340 N VAL A 20 -4.519 -6.010 -2.956 1.00 0.00 N ATOM 341 CA VAL A 20 -5.764 -5.478 -3.499 1.00 0.00 C ATOM 342 C VAL A 20 -5.571 -4.667 -4.779 1.00 0.00 C ATOM 343 O VAL A 20 -4.642 -3.866 -4.883 1.00 0.00 O ATOM 344 CB VAL A 20 -6.423 -4.558 -2.466 1.00 0.00 C ATOM 345 CG1 VAL A 20 -6.934 -5.358 -1.277 1.00 0.00 C ATOM 346 CG2 VAL A 20 -5.432 -3.491 -2.024 1.00 0.00 C ATOM 0 H VAL A 20 -3.677 -5.510 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.384 -6.343 -3.734 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.282 -4.068 -2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.398 -4.684 -0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.670 -6.087 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.101 -5.878 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.904 -2.838 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.559 -3.968 -1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.123 -2.902 -2.887 1.00 0.00 H new ATOM 356 N PRO A 21 -6.480 -4.839 -5.760 1.00 0.00 N ATOM 357 CA PRO A 21 -6.448 -4.104 -7.017 1.00 0.00 C ATOM 358 C PRO A 21 -7.282 -2.827 -6.928 1.00 0.00 C ATOM 359 O PRO A 21 -8.510 -2.885 -6.881 1.00 0.00 O ATOM 360 CB PRO A 21 -7.086 -5.097 -7.980 1.00 0.00 C ATOM 361 CG PRO A 21 -8.107 -5.814 -7.154 1.00 0.00 C ATOM 362 CD PRO A 21 -7.641 -5.747 -5.714 1.00 0.00 C ATOM 0 HA PRO A 21 -5.449 -3.779 -7.310 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.546 -4.589 -8.827 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.347 -5.788 -8.386 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.087 -5.349 -7.264 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.207 -6.850 -7.479 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.423 -5.363 -5.058 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.364 -6.732 -5.337 1.00 0.00 H new ATOM 370 N VAL A 22 -6.614 -1.679 -6.876 1.00 0.00 N ATOM 371 CA VAL A 22 -7.309 -0.400 -6.759 1.00 0.00 C ATOM 372 C VAL A 22 -7.060 0.499 -7.962 1.00 0.00 C ATOM 373 O VAL A 22 -5.928 0.644 -8.426 1.00 0.00 O ATOM 374 CB VAL A 22 -6.896 0.358 -5.462 1.00 0.00 C ATOM 375 CG1 VAL A 22 -5.682 -0.297 -4.821 1.00 0.00 C ATOM 376 CG2 VAL A 22 -6.617 1.841 -5.726 1.00 0.00 C ATOM 0 H VAL A 22 -5.597 -1.607 -6.913 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.372 -0.637 -6.714 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.739 0.298 -4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.410 0.247 -3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.918 -1.330 -4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.847 -0.279 -5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.333 2.329 -4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.805 1.936 -6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.514 2.315 -6.125 1.00 0.00 H new ATOM 386 N THR A 23 -8.122 1.146 -8.422 1.00 0.00 N ATOM 387 CA THR A 23 -8.025 2.085 -9.523 1.00 0.00 C ATOM 388 C THR A 23 -7.679 3.447 -8.937 1.00 0.00 C ATOM 389 O THR A 23 -7.734 3.619 -7.720 1.00 0.00 O ATOM 390 CB THR A 23 -9.344 2.145 -10.299 1.00 0.00 C ATOM 391 OG1 THR A 23 -10.275 2.987 -9.642 1.00 0.00 O ATOM 392 CG2 THR A 23 -9.996 0.790 -10.475 1.00 0.00 C ATOM 0 H THR A 23 -9.063 1.035 -8.045 1.00 0.00 H new ATOM 0 HA THR A 23 -7.253 1.770 -10.225 1.00 0.00 H new ATOM 0 HB THR A 23 -9.083 2.536 -11.282 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.110 3.013 -10.154 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.926 0.903 -11.033 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.323 0.131 -11.022 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.210 0.359 -9.497 1.00 0.00 H new ATOM 400 N PRO A 24 -7.314 4.442 -9.752 1.00 0.00 N ATOM 401 CA PRO A 24 -6.971 5.757 -9.222 1.00 0.00 C ATOM 402 C PRO A 24 -8.201 6.527 -8.753 1.00 0.00 C ATOM 403 O PRO A 24 -8.502 7.613 -9.246 1.00 0.00 O ATOM 404 CB PRO A 24 -6.284 6.445 -10.394 1.00 0.00 C ATOM 405 CG PRO A 24 -6.859 5.799 -11.610 1.00 0.00 C ATOM 406 CD PRO A 24 -7.206 4.382 -11.222 1.00 0.00 C ATOM 0 HA PRO A 24 -6.338 5.698 -8.337 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.475 7.518 -10.389 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.203 6.313 -10.351 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.744 6.335 -11.952 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.142 5.811 -12.431 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.141 4.058 -11.680 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.436 3.679 -11.539 1.00 0.00 H new ATOM 414 N GLU A 25 -8.896 5.943 -7.780 1.00 0.00 N ATOM 415 CA GLU A 25 -10.092 6.541 -7.202 1.00 0.00 C ATOM 416 C GLU A 25 -10.060 6.377 -5.687 1.00 0.00 C ATOM 417 O GLU A 25 -10.212 7.345 -4.942 1.00 0.00 O ATOM 418 CB GLU A 25 -11.350 5.888 -7.777 1.00 0.00 C ATOM 419 CG GLU A 25 -12.636 6.600 -7.391 1.00 0.00 C ATOM 420 CD GLU A 25 -13.319 7.258 -8.575 1.00 0.00 C ATOM 421 OE1 GLU A 25 -13.148 8.481 -8.754 1.00 0.00 O ATOM 422 OE2 GLU A 25 -14.021 6.547 -9.324 1.00 0.00 O ATOM 0 H GLU A 25 -8.645 5.043 -7.372 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.114 7.602 -7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.271 5.862 -8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.401 4.854 -7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.320 5.884 -6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.416 7.356 -6.638 1.00 0.00 H new ATOM 429 N THR A 26 -9.834 5.144 -5.240 1.00 0.00 N ATOM 430 CA THR A 26 -9.749 4.847 -3.817 1.00 0.00 C ATOM 431 C THR A 26 -8.317 5.028 -3.340 1.00 0.00 C ATOM 432 O THR A 26 -7.382 4.883 -4.126 1.00 0.00 O ATOM 433 CB THR A 26 -10.219 3.423 -3.528 1.00 0.00 C ATOM 434 OG1 THR A 26 -9.694 2.517 -4.480 1.00 0.00 O ATOM 435 CG2 THR A 26 -11.725 3.282 -3.536 1.00 0.00 C ATOM 0 H THR A 26 -9.706 4.334 -5.847 1.00 0.00 H new ATOM 0 HA THR A 26 -10.401 5.537 -3.280 1.00 0.00 H new ATOM 0 HB THR A 26 -9.853 3.193 -2.527 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.006 1.611 -4.276 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.995 2.247 -3.324 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.155 3.932 -2.774 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.112 3.565 -4.515 1.00 0.00 H new ATOM 443 N ILE A 27 -8.131 5.347 -2.061 1.00 0.00 N ATOM 444 CA ILE A 27 -6.776 5.534 -1.556 1.00 0.00 C ATOM 445 C ILE A 27 -6.555 4.906 -0.179 1.00 0.00 C ATOM 446 O ILE A 27 -7.269 5.180 0.781 1.00 0.00 O ATOM 447 CB ILE A 27 -6.469 7.046 -1.453 1.00 0.00 C ATOM 448 CG1 ILE A 27 -7.710 7.827 -0.992 1.00 0.00 C ATOM 449 CG2 ILE A 27 -5.993 7.582 -2.795 1.00 0.00 C ATOM 450 CD1 ILE A 27 -8.394 7.252 0.233 1.00 0.00 C ATOM 0 H ILE A 27 -8.875 5.478 -1.376 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.110 5.036 -2.261 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.679 7.180 -0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.419 8.856 -0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.428 7.861 -1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.781 8.648 -2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.087 7.056 -3.097 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.769 7.428 -3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.259 7.865 0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.720 6.233 0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.695 7.244 1.070 1.00 0.00 H new ATOM 462 N CYS A 28 -5.503 4.103 -0.087 1.00 0.00 N ATOM 463 CA CYS A 28 -5.088 3.468 1.147 1.00 0.00 C ATOM 464 C CYS A 28 -6.270 3.007 2.006 1.00 0.00 C ATOM 465 O CYS A 28 -6.131 2.793 3.217 1.00 0.00 O ATOM 466 CB CYS A 28 -4.187 4.412 1.891 1.00 0.00 C ATOM 467 SG CYS A 28 -2.439 3.961 1.855 1.00 0.00 S ATOM 0 H CYS A 28 -4.908 3.874 -0.883 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.543 2.556 0.904 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.301 5.411 1.470 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.515 4.465 2.929 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.712 5.039 1.869 1.00 0.00 H new ATOM 473 N ARG A 29 -7.408 2.795 1.370 1.00 0.00 N ATOM 474 CA ARG A 29 -8.583 2.312 2.067 1.00 0.00 C ATOM 475 C ARG A 29 -8.440 0.819 2.180 1.00 0.00 C ATOM 476 O ARG A 29 -8.838 0.201 3.162 1.00 0.00 O ATOM 477 CB ARG A 29 -9.862 2.679 1.309 1.00 0.00 C ATOM 478 CG ARG A 29 -10.598 3.870 1.900 1.00 0.00 C ATOM 479 CD ARG A 29 -11.298 4.684 0.823 1.00 0.00 C ATOM 480 NE ARG A 29 -12.737 4.437 0.800 1.00 0.00 N ATOM 481 CZ ARG A 29 -13.620 5.254 0.230 1.00 0.00 C ATOM 482 NH1 ARG A 29 -13.216 6.370 -0.363 1.00 0.00 N ATOM 483 NH2 ARG A 29 -14.913 4.954 0.255 1.00 0.00 N ATOM 0 H ARG A 29 -7.542 2.950 0.371 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.660 2.771 3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.610 2.897 0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.530 1.817 1.301 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.331 3.521 2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.893 4.505 2.437 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.115 5.745 0.994 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.872 4.440 -0.150 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.086 3.589 1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.224 6.606 -0.384 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.898 6.992 -0.798 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.229 4.098 0.711 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.590 5.580 -0.182 1.00 0.00 H new ATOM 497 N ASP A 30 -7.813 0.265 1.158 1.00 0.00 N ATOM 498 CA ASP A 30 -7.538 -1.151 1.100 1.00 0.00 C ATOM 499 C ASP A 30 -6.516 -1.519 2.164 1.00 0.00 C ATOM 500 O ASP A 30 -6.695 -2.483 2.910 1.00 0.00 O ATOM 501 CB ASP A 30 -7.010 -1.515 -0.283 1.00 0.00 C ATOM 502 CG ASP A 30 -5.648 -0.907 -0.569 1.00 0.00 C ATOM 503 OD1 ASP A 30 -4.630 -1.569 -0.279 1.00 0.00 O ATOM 504 OD2 ASP A 30 -5.602 0.229 -1.085 1.00 0.00 O ATOM 0 H ASP A 30 -7.482 0.788 0.347 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.457 -1.706 1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.944 -2.600 -0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.720 -1.178 -1.039 1.00 0.00 H new ATOM 509 N VAL A 31 -5.439 -0.736 2.227 1.00 0.00 N ATOM 510 CA VAL A 31 -4.389 -0.986 3.203 1.00 0.00 C ATOM 511 C VAL A 31 -4.926 -0.888 4.628 1.00 0.00 C ATOM 512 O VAL A 31 -4.669 -1.766 5.451 1.00 0.00 O ATOM 513 CB VAL A 31 -3.183 -0.027 3.044 1.00 0.00 C ATOM 514 CG1 VAL A 31 -2.638 -0.048 1.625 1.00 0.00 C ATOM 515 CG2 VAL A 31 -3.537 1.392 3.451 1.00 0.00 C ATOM 0 H VAL A 31 -5.275 0.067 1.620 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.039 -2.001 3.013 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.404 -0.387 3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.793 0.636 1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.311 -1.057 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.419 0.262 0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.666 2.035 3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.351 1.758 2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.849 1.404 4.495 1.00 0.00 H new ATOM 525 N VAL A 32 -5.660 0.183 4.929 1.00 0.00 N ATOM 526 CA VAL A 32 -6.198 0.363 6.274 1.00 0.00 C ATOM 527 C VAL A 32 -7.361 -0.586 6.570 1.00 0.00 C ATOM 528 O VAL A 32 -7.382 -1.239 7.611 1.00 0.00 O ATOM 529 CB VAL A 32 -6.651 1.813 6.519 1.00 0.00 C ATOM 530 CG1 VAL A 32 -7.137 1.973 7.951 1.00 0.00 C ATOM 531 CG2 VAL A 32 -5.513 2.783 6.226 1.00 0.00 C ATOM 0 H VAL A 32 -5.892 0.927 4.271 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.379 0.126 6.953 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.476 2.042 5.844 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.455 3.003 8.114 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.977 1.301 8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.327 1.730 8.639 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.850 3.804 6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.668 2.561 6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.205 2.679 5.186 1.00 0.00 H new ATOM 541 N ASP A 33 -8.334 -0.645 5.667 1.00 0.00 N ATOM 542 CA ASP A 33 -9.508 -1.498 5.861 1.00 0.00 C ATOM 543 C ASP A 33 -9.133 -2.948 6.162 1.00 0.00 C ATOM 544 O ASP A 33 -9.689 -3.558 7.075 1.00 0.00 O ATOM 545 CB ASP A 33 -10.418 -1.453 4.631 1.00 0.00 C ATOM 546 CG ASP A 33 -11.152 -0.132 4.502 1.00 0.00 C ATOM 547 OD1 ASP A 33 -11.391 0.304 3.357 1.00 0.00 O ATOM 548 OD2 ASP A 33 -11.488 0.464 5.547 1.00 0.00 O ATOM 0 H ASP A 33 -8.336 -0.115 4.795 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.039 -1.103 6.727 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.821 -1.623 3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.144 -2.264 4.689 1.00 0.00 H new ATOM 553 N LEU A 34 -8.212 -3.511 5.384 1.00 0.00 N ATOM 554 CA LEU A 34 -7.811 -4.901 5.581 1.00 0.00 C ATOM 555 C LEU A 34 -6.761 -5.049 6.680 1.00 0.00 C ATOM 556 O LEU A 34 -6.753 -6.042 7.408 1.00 0.00 O ATOM 557 CB LEU A 34 -7.276 -5.486 4.272 1.00 0.00 C ATOM 558 CG LEU A 34 -8.344 -5.827 3.231 1.00 0.00 C ATOM 559 CD1 LEU A 34 -7.821 -5.575 1.825 1.00 0.00 C ATOM 560 CD2 LEU A 34 -8.791 -7.274 3.384 1.00 0.00 C ATOM 0 H LEU A 34 -7.734 -3.033 4.620 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.698 -5.451 5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.576 -4.775 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.711 -6.390 4.500 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.205 -5.180 3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.595 -5.823 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.549 -4.525 1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.943 -6.196 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.551 -7.501 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.936 -7.936 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.207 -7.423 4.381 1.00 0.00 H new ATOM 572 N CYS A 35 -5.868 -4.073 6.790 1.00 0.00 N ATOM 573 CA CYS A 35 -4.813 -4.119 7.788 1.00 0.00 C ATOM 574 C CYS A 35 -5.148 -3.275 9.011 1.00 0.00 C ATOM 575 O CYS A 35 -4.266 -2.716 9.663 1.00 0.00 O ATOM 576 CB CYS A 35 -3.496 -3.665 7.167 1.00 0.00 C ATOM 577 SG CYS A 35 -3.218 -4.292 5.497 1.00 0.00 S ATOM 0 H CYS A 35 -5.855 -3.241 6.199 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.717 -5.150 8.128 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.474 -2.575 7.144 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.674 -3.987 7.807 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.789 -3.503 4.636 1.00 0.00 H new ATOM 583 N LYS A 36 -6.428 -3.217 9.323 1.00 0.00 N ATOM 584 CA LYS A 36 -6.916 -2.476 10.481 1.00 0.00 C ATOM 585 C LYS A 36 -7.019 -3.402 11.692 1.00 0.00 C ATOM 586 O LYS A 36 -6.665 -4.578 11.614 1.00 0.00 O ATOM 587 CB LYS A 36 -8.286 -1.858 10.181 1.00 0.00 C ATOM 588 CG LYS A 36 -8.302 -0.342 10.259 1.00 0.00 C ATOM 589 CD LYS A 36 -9.713 0.192 10.446 1.00 0.00 C ATOM 590 CE LYS A 36 -10.594 -0.125 9.247 1.00 0.00 C ATOM 591 NZ LYS A 36 -10.713 1.037 8.323 1.00 0.00 N ATOM 0 H LYS A 36 -7.161 -3.679 8.786 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.210 -1.676 10.703 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.603 -2.165 9.184 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.017 -2.257 10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.675 -0.013 11.087 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.872 0.075 9.348 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.151 -0.242 11.345 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.678 1.271 10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.180 -0.977 8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.586 -0.417 9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.731 0.698 7.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.592 1.554 8.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.899 1.671 8.456 1.00 0.00 H new ATOM 679 N CYS A 43 -4.035 6.848 11.571 1.00 0.00 N ATOM 680 CA CYS A 43 -3.113 5.817 11.107 1.00 0.00 C ATOM 681 C CYS A 43 -2.593 6.149 9.714 1.00 0.00 C ATOM 682 O CYS A 43 -3.198 6.936 8.987 1.00 0.00 O ATOM 683 CB CYS A 43 -3.807 4.453 11.094 1.00 0.00 C ATOM 684 SG CYS A 43 -5.429 4.458 10.295 1.00 0.00 S ATOM 0 HA CYS A 43 -2.268 5.779 11.794 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.165 3.735 10.584 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.921 4.105 12.121 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.935 3.261 10.332 1.00 0.00 H new ATOM 690 N HIS A 44 -1.464 5.551 9.348 1.00 0.00 N ATOM 691 CA HIS A 44 -0.867 5.794 8.040 1.00 0.00 C ATOM 692 C HIS A 44 -0.317 4.505 7.431 1.00 0.00 C ATOM 693 O HIS A 44 -0.030 3.535 8.141 1.00 0.00 O ATOM 694 CB HIS A 44 0.232 6.865 8.146 1.00 0.00 C ATOM 695 CG HIS A 44 1.633 6.327 8.153 1.00 0.00 C ATOM 696 ND1 HIS A 44 2.518 6.142 7.144 1.00 0.00 N flip ATOM 697 CD2 HIS A 44 2.273 5.912 9.302 1.00 0.00 C flip ATOM 698 CE1 HIS A 44 3.662 5.626 7.698 1.00 0.00 C flip ATOM 699 NE2 HIS A 44 3.491 5.497 9.000 1.00 0.00 N flip ATOM 0 H HIS A 44 -0.946 4.898 9.936 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.647 6.162 7.374 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.127 7.557 7.311 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.073 7.440 9.058 1.00 0.00 H new ATOM 0 HD1 HIS A 44 2.363 6.348 6.157 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.846 5.924 10.294 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.559 5.367 7.155 1.00 0.00 H new ATOM 708 N LEU A 45 -0.169 4.510 6.110 1.00 0.00 N ATOM 709 CA LEU A 45 0.351 3.359 5.389 1.00 0.00 C ATOM 710 C LEU A 45 1.815 3.578 5.058 1.00 0.00 C ATOM 711 O LEU A 45 2.259 4.710 4.898 1.00 0.00 O ATOM 712 CB LEU A 45 -0.465 3.080 4.132 1.00 0.00 C ATOM 713 CG LEU A 45 -0.078 1.815 3.357 1.00 0.00 C ATOM 714 CD1 LEU A 45 1.165 2.037 2.511 1.00 0.00 C ATOM 715 CD2 LEU A 45 0.101 0.628 4.288 1.00 0.00 C ATOM 0 H LEU A 45 -0.404 5.305 5.516 1.00 0.00 H new ATOM 0 HA LEU A 45 0.267 2.480 6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.516 3.005 4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.373 3.936 3.464 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.901 1.586 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.410 1.119 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.979 2.837 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.999 2.314 3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.375 -0.252 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.889 0.846 5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.832 0.437 4.818 1.00 0.00 H new ATOM 727 N ALA A 46 2.572 2.498 4.995 1.00 0.00 N ATOM 728 CA ALA A 46 4.010 2.602 4.728 1.00 0.00 C ATOM 729 C ALA A 46 4.422 1.928 3.423 1.00 0.00 C ATOM 730 O ALA A 46 3.805 0.952 2.990 1.00 0.00 O ATOM 731 CB ALA A 46 4.798 2.019 5.892 1.00 0.00 C ATOM 0 H ALA A 46 2.228 1.546 5.122 1.00 0.00 H new ATOM 0 HA ALA A 46 4.238 3.662 4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.865 2.100 5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.562 2.569 6.803 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.532 0.970 6.022 1.00 0.00 H new ATOM 737 N GLU A 47 5.494 2.451 2.816 1.00 0.00 N ATOM 738 CA GLU A 47 6.020 1.899 1.571 1.00 0.00 C ATOM 739 C GLU A 47 7.524 1.635 1.685 1.00 0.00 C ATOM 740 O GLU A 47 8.324 2.567 1.750 1.00 0.00 O ATOM 741 CB GLU A 47 5.768 2.866 0.419 1.00 0.00 C ATOM 742 CG GLU A 47 6.234 4.285 0.696 1.00 0.00 C ATOM 743 CD GLU A 47 5.375 5.327 0.007 1.00 0.00 C ATOM 744 OE1 GLU A 47 4.917 5.063 -1.124 1.00 0.00 O ATOM 745 OE2 GLU A 47 5.162 6.406 0.597 1.00 0.00 O ATOM 0 H GLU A 47 6.011 3.256 3.170 1.00 0.00 H new ATOM 0 HA GLU A 47 5.507 0.957 1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.274 2.495 -0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.701 2.881 0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.223 4.464 1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.267 4.395 0.366 1.00 0.00 H new ATOM 752 N VAL A 48 7.895 0.357 1.682 1.00 0.00 N ATOM 753 CA VAL A 48 9.299 -0.045 1.756 1.00 0.00 C ATOM 754 C VAL A 48 9.670 -0.937 0.583 1.00 0.00 C ATOM 755 O VAL A 48 9.022 -1.961 0.355 1.00 0.00 O ATOM 756 CB VAL A 48 9.644 -0.770 3.073 1.00 0.00 C ATOM 757 CG1 VAL A 48 11.154 -0.850 3.252 1.00 0.00 C ATOM 758 CG2 VAL A 48 8.993 -0.077 4.263 1.00 0.00 C ATOM 0 H VAL A 48 7.239 -0.423 1.629 1.00 0.00 H new ATOM 0 HA VAL A 48 9.879 0.877 1.719 1.00 0.00 H new ATOM 0 HB VAL A 48 9.248 -1.784 3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.383 -1.364 4.185 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.591 -1.400 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.571 0.157 3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.252 -0.608 5.179 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.350 0.951 4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.910 -0.078 4.137 1.00 0.00 H new ATOM 768 N TRP A 49 10.707 -0.570 -0.154 1.00 0.00 N ATOM 769 CA TRP A 49 11.131 -1.385 -1.279 1.00 0.00 C ATOM 770 C TRP A 49 12.647 -1.355 -1.465 1.00 0.00 C ATOM 771 O TRP A 49 13.248 -0.288 -1.575 1.00 0.00 O ATOM 772 CB TRP A 49 10.390 -0.952 -2.545 1.00 0.00 C ATOM 773 CG TRP A 49 11.249 -0.405 -3.628 1.00 0.00 C ATOM 774 CD1 TRP A 49 11.900 -1.088 -4.608 1.00 0.00 C ATOM 775 CD2 TRP A 49 11.528 0.961 -3.829 1.00 0.00 C ATOM 776 NE1 TRP A 49 12.565 -0.207 -5.425 1.00 0.00 N ATOM 777 CE2 TRP A 49 12.355 1.069 -4.955 1.00 0.00 C ATOM 778 CE3 TRP A 49 11.142 2.100 -3.148 1.00 0.00 C ATOM 779 CZ2 TRP A 49 12.810 2.301 -5.420 1.00 0.00 C ATOM 780 CZ3 TRP A 49 11.588 3.328 -3.601 1.00 0.00 C ATOM 781 CH2 TRP A 49 12.418 3.420 -4.729 1.00 0.00 C ATOM 0 H TRP A 49 11.261 0.272 0.003 1.00 0.00 H new ATOM 0 HA TRP A 49 10.872 -2.423 -1.069 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.842 -1.809 -2.936 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.651 -0.198 -2.274 1.00 0.00 H new ATOM 0 HD1 TRP A 49 11.895 -2.162 -4.726 1.00 0.00 H new ATOM 0 HE1 TRP A 49 13.121 -0.457 -6.243 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.504 2.032 -2.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.446 2.373 -6.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 11.294 4.227 -3.080 1.00 0.00 H new ATOM 0 HH2 TRP A 49 12.755 4.391 -5.060 1.00 0.00 H new ATOM 792 N CYS A 50 13.255 -2.537 -1.506 1.00 0.00 N ATOM 793 CA CYS A 50 14.700 -2.656 -1.686 1.00 0.00 C ATOM 794 C CYS A 50 15.457 -1.736 -0.731 1.00 0.00 C ATOM 795 O CYS A 50 16.497 -1.180 -1.083 1.00 0.00 O ATOM 796 CB CYS A 50 15.081 -2.330 -3.131 1.00 0.00 C ATOM 797 SG CYS A 50 16.445 -3.326 -3.777 1.00 0.00 S ATOM 0 H CYS A 50 12.768 -3.429 -1.417 1.00 0.00 H new ATOM 0 HA CYS A 50 14.980 -3.685 -1.461 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.207 -2.473 -3.767 1.00 0.00 H new ATOM 0 HB3 CYS A 50 15.352 -1.276 -3.195 1.00 0.00 H new ATOM 0 HG CYS A 50 16.692 -2.979 -5.005 1.00 0.00 H new ATOM 803 N GLY A 51 14.929 -1.581 0.478 1.00 0.00 N ATOM 804 CA GLY A 51 15.571 -0.728 1.461 1.00 0.00 C ATOM 805 C GLY A 51 15.023 0.687 1.459 1.00 0.00 C ATOM 806 O GLY A 51 15.331 1.476 2.352 1.00 0.00 O ATOM 0 H GLY A 51 14.070 -2.030 0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.441 -1.162 2.452 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.643 -0.698 1.265 1.00 0.00 H new ATOM 810 N SER A 52 14.208 1.013 0.458 1.00 0.00 N ATOM 811 CA SER A 52 13.621 2.344 0.360 1.00 0.00 C ATOM 812 C SER A 52 12.289 2.397 1.098 1.00 0.00 C ATOM 813 O SER A 52 11.252 2.037 0.546 1.00 0.00 O ATOM 814 CB SER A 52 13.419 2.732 -1.109 1.00 0.00 C ATOM 815 OG SER A 52 14.265 3.809 -1.472 1.00 0.00 O ATOM 0 H SER A 52 13.941 0.376 -0.293 1.00 0.00 H new ATOM 0 HA SER A 52 14.307 3.054 0.822 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.625 1.873 -1.747 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.378 3.011 -1.275 1.00 0.00 H new ATOM 0 HG SER A 52 14.119 4.037 -2.414 1.00 0.00 H new ATOM 821 N GLU A 53 12.327 2.855 2.344 1.00 0.00 N ATOM 822 CA GLU A 53 11.120 2.957 3.154 1.00 0.00 C ATOM 823 C GLU A 53 10.682 4.412 3.288 1.00 0.00 C ATOM 824 O GLU A 53 11.507 5.297 3.517 1.00 0.00 O ATOM 825 CB GLU A 53 11.357 2.356 4.540 1.00 0.00 C ATOM 826 CG GLU A 53 12.527 2.984 5.282 1.00 0.00 C ATOM 827 CD GLU A 53 12.105 3.672 6.565 1.00 0.00 C ATOM 828 OE1 GLU A 53 12.012 2.986 7.604 1.00 0.00 O ATOM 829 OE2 GLU A 53 11.869 4.898 6.531 1.00 0.00 O ATOM 0 H GLU A 53 13.179 3.161 2.814 1.00 0.00 H new ATOM 0 HA GLU A 53 10.328 2.399 2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.453 2.473 5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.535 1.285 4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.262 2.213 5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.018 3.707 4.631 1.00 0.00 H new ATOM 836 N ARG A 54 9.385 4.658 3.138 1.00 0.00 N ATOM 837 CA ARG A 54 8.849 6.012 3.240 1.00 0.00 C ATOM 838 C ARG A 54 7.439 6.010 3.828 1.00 0.00 C ATOM 839 O ARG A 54 6.705 5.032 3.701 1.00 0.00 O ATOM 840 CB ARG A 54 8.835 6.679 1.861 1.00 0.00 C ATOM 841 CG ARG A 54 10.071 7.521 1.579 1.00 0.00 C ATOM 842 CD ARG A 54 9.722 8.991 1.400 1.00 0.00 C ATOM 843 NE ARG A 54 10.419 9.585 0.261 1.00 0.00 N ATOM 844 CZ ARG A 54 11.727 9.826 0.235 1.00 0.00 C ATOM 845 NH1 ARG A 54 12.484 9.526 1.283 1.00 0.00 N ATOM 846 NH2 ARG A 54 12.280 10.368 -0.842 1.00 0.00 N ATOM 0 H ARG A 54 8.686 3.940 2.946 1.00 0.00 H new ATOM 0 HA ARG A 54 9.496 6.577 3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.748 5.909 1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.950 7.310 1.781 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.780 7.413 2.400 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.565 7.152 0.680 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.646 9.094 1.260 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.979 9.538 2.307 1.00 0.00 H new ATOM 0 HE ARG A 54 9.870 9.829 -0.563 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.063 9.109 2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.486 9.713 1.258 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.702 10.600 -1.650 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.283 10.553 -0.862 1.00 0.00 H new ATOM 860 N PRO A 55 7.040 7.116 4.480 1.00 0.00 N ATOM 861 CA PRO A 55 5.710 7.242 5.079 1.00 0.00 C ATOM 862 C PRO A 55 4.655 7.596 4.037 1.00 0.00 C ATOM 863 O PRO A 55 4.696 8.674 3.443 1.00 0.00 O ATOM 864 CB PRO A 55 5.893 8.388 6.070 1.00 0.00 C ATOM 865 CG PRO A 55 6.933 9.254 5.447 1.00 0.00 C ATOM 866 CD PRO A 55 7.850 8.334 4.680 1.00 0.00 C ATOM 0 HA PRO A 55 5.363 6.316 5.537 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.962 8.933 6.223 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.213 8.022 7.046 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.479 9.991 4.784 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.485 9.807 6.207 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.154 8.773 3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.762 8.121 5.238 1.00 0.00 H new ATOM 874 N VAL A 56 3.717 6.683 3.806 1.00 0.00 N ATOM 875 CA VAL A 56 2.664 6.909 2.819 1.00 0.00 C ATOM 876 C VAL A 56 1.336 7.297 3.483 1.00 0.00 C ATOM 877 O VAL A 56 0.909 6.692 4.475 1.00 0.00 O ATOM 878 CB VAL A 56 2.454 5.675 1.899 1.00 0.00 C ATOM 879 CG1 VAL A 56 3.469 4.574 2.199 1.00 0.00 C ATOM 880 CG2 VAL A 56 1.034 5.147 2.028 1.00 0.00 C ATOM 0 H VAL A 56 3.663 5.784 4.285 1.00 0.00 H new ATOM 0 HA VAL A 56 2.999 7.742 2.201 1.00 0.00 H new ATOM 0 HB VAL A 56 2.612 5.998 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.293 3.726 1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.477 4.955 2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.362 4.253 3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.907 4.283 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.848 4.853 3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.328 5.926 1.740 1.00 0.00 H new ATOM 890 N ALA A 57 0.690 8.309 2.914 1.00 0.00 N ATOM 891 CA ALA A 57 -0.585 8.802 3.419 1.00 0.00 C ATOM 892 C ALA A 57 -1.750 7.915 2.991 1.00 0.00 C ATOM 893 O ALA A 57 -1.716 7.290 1.928 1.00 0.00 O ATOM 894 CB ALA A 57 -0.808 10.220 2.932 1.00 0.00 C ATOM 0 H ALA A 57 1.034 8.808 2.094 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.544 8.784 4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.762 10.589 3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.003 10.860 3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.820 10.233 1.842 1.00 0.00 H new ATOM 900 N ASP A 58 -2.788 7.873 3.822 1.00 0.00 N ATOM 901 CA ASP A 58 -3.967 7.066 3.530 1.00 0.00 C ATOM 902 C ASP A 58 -4.705 7.568 2.290 1.00 0.00 C ATOM 903 O ASP A 58 -5.615 6.905 1.795 1.00 0.00 O ATOM 904 CB ASP A 58 -4.926 7.057 4.716 1.00 0.00 C ATOM 905 CG ASP A 58 -4.230 6.737 6.024 1.00 0.00 C ATOM 906 OD1 ASP A 58 -4.444 5.625 6.554 1.00 0.00 O ATOM 907 OD2 ASP A 58 -3.470 7.596 6.518 1.00 0.00 O ATOM 0 H ASP A 58 -2.836 8.388 4.701 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.616 6.052 3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.410 8.030 4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.712 6.323 4.538 1.00 0.00 H new ATOM 912 N ASN A 59 -4.325 8.738 1.797 1.00 0.00 N ATOM 913 CA ASN A 59 -4.971 9.304 0.621 1.00 0.00 C ATOM 914 C ASN A 59 -4.115 9.116 -0.631 1.00 0.00 C ATOM 915 O ASN A 59 -4.320 9.799 -1.634 1.00 0.00 O ATOM 916 CB ASN A 59 -5.264 10.789 0.837 1.00 0.00 C ATOM 917 CG ASN A 59 -6.320 11.314 -0.114 1.00 0.00 C ATOM 918 OD1 ASN A 59 -7.504 11.004 0.022 1.00 0.00 O ATOM 919 ND2 ASN A 59 -5.897 12.115 -1.085 1.00 0.00 N ATOM 0 H ASN A 59 -3.578 9.311 2.190 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.911 8.772 0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.594 10.946 1.864 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.345 11.361 0.707 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.563 12.500 -1.755 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.906 12.346 -1.161 1.00 0.00 H new ATOM 926 N GLU A 60 -3.159 8.191 -0.572 1.00 0.00 N ATOM 927 CA GLU A 60 -2.286 7.926 -1.712 1.00 0.00 C ATOM 928 C GLU A 60 -2.882 6.847 -2.619 1.00 0.00 C ATOM 929 O GLU A 60 -3.008 5.689 -2.220 1.00 0.00 O ATOM 930 CB GLU A 60 -0.905 7.497 -1.221 1.00 0.00 C ATOM 931 CG GLU A 60 -0.291 8.458 -0.217 1.00 0.00 C ATOM 932 CD GLU A 60 0.371 9.650 -0.880 1.00 0.00 C ATOM 933 OE1 GLU A 60 1.572 9.553 -1.211 1.00 0.00 O ATOM 934 OE2 GLU A 60 -0.310 10.680 -1.069 1.00 0.00 O ATOM 0 H GLU A 60 -2.970 7.616 0.249 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.191 8.843 -2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.981 6.509 -0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.237 7.403 -2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.066 8.810 0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.446 7.927 0.385 1.00 0.00 H new ATOM 941 N ARG A 61 -3.251 7.239 -3.838 1.00 0.00 N ATOM 942 CA ARG A 61 -3.839 6.308 -4.800 1.00 0.00 C ATOM 943 C ARG A 61 -2.858 5.195 -5.146 1.00 0.00 C ATOM 944 O ARG A 61 -1.661 5.439 -5.287 1.00 0.00 O ATOM 945 CB ARG A 61 -4.272 7.052 -6.066 1.00 0.00 C ATOM 946 CG ARG A 61 -5.765 7.329 -6.129 1.00 0.00 C ATOM 947 CD ARG A 61 -6.083 8.756 -5.715 1.00 0.00 C ATOM 948 NE ARG A 61 -7.511 8.955 -5.479 1.00 0.00 N ATOM 949 CZ ARG A 61 -8.093 10.151 -5.413 1.00 0.00 C ATOM 950 NH1 ARG A 61 -7.372 11.255 -5.568 1.00 0.00 N ATOM 951 NH2 ARG A 61 -9.397 10.243 -5.193 1.00 0.00 N ATOM 0 H ARG A 61 -3.153 8.194 -4.182 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.719 5.856 -4.343 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.733 7.998 -6.124 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.983 6.466 -6.938 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.127 7.154 -7.142 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.293 6.633 -5.477 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.529 9.002 -4.809 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.745 9.442 -6.492 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.097 8.129 -5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.368 11.189 -5.738 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.822 12.169 -5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.955 9.398 -5.074 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.842 11.159 -5.143 1.00 0.00 H new ATOM 965 N MET A 62 -3.381 3.973 -5.284 1.00 0.00 N ATOM 966 CA MET A 62 -2.560 2.800 -5.608 1.00 0.00 C ATOM 967 C MET A 62 -1.364 3.186 -6.473 1.00 0.00 C ATOM 968 O MET A 62 -0.247 3.340 -5.976 1.00 0.00 O ATOM 969 CB MET A 62 -3.404 1.740 -6.315 1.00 0.00 C ATOM 970 CG MET A 62 -2.615 0.509 -6.726 1.00 0.00 C ATOM 971 SD MET A 62 -2.247 0.481 -8.487 1.00 0.00 S ATOM 972 CE MET A 62 -0.468 0.280 -8.457 1.00 0.00 C ATOM 0 H MET A 62 -4.374 3.769 -5.176 1.00 0.00 H new ATOM 0 HA MET A 62 -2.182 2.386 -4.673 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.218 1.437 -5.656 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.859 2.182 -7.201 1.00 0.00 H new ATOM 0 HG2 MET A 62 -1.682 0.475 -6.163 1.00 0.00 H new ATOM 0 HG3 MET A 62 -3.180 -0.385 -6.462 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.052 0.577 -9.420 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.045 0.904 -7.670 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.223 -0.764 -8.263 1.00 0.00 H new ATOM 982 N PHE A 63 -1.610 3.360 -7.762 1.00 0.00 N ATOM 983 CA PHE A 63 -0.549 3.747 -8.694 1.00 0.00 C ATOM 984 C PHE A 63 0.144 5.022 -8.227 1.00 0.00 C ATOM 985 O PHE A 63 1.356 5.171 -8.384 1.00 0.00 O ATOM 986 CB PHE A 63 -1.096 3.976 -10.109 1.00 0.00 C ATOM 987 CG PHE A 63 -2.212 3.054 -10.504 1.00 0.00 C ATOM 988 CD1 PHE A 63 -1.959 1.923 -11.262 1.00 0.00 C ATOM 989 CD2 PHE A 63 -3.514 3.326 -10.123 1.00 0.00 C ATOM 990 CE1 PHE A 63 -2.987 1.077 -11.630 1.00 0.00 C ATOM 991 CE2 PHE A 63 -4.544 2.485 -10.485 1.00 0.00 C ATOM 992 CZ PHE A 63 -4.282 1.359 -11.239 1.00 0.00 C ATOM 0 H PHE A 63 -2.528 3.241 -8.190 1.00 0.00 H new ATOM 0 HA PHE A 63 0.166 2.924 -8.717 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.448 5.005 -10.186 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.280 3.864 -10.823 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.948 1.700 -11.569 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.725 4.207 -9.535 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.779 0.198 -12.222 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.556 2.707 -10.179 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.088 0.699 -11.523 1.00 0.00 H new ATOM 1002 N ASP A 64 -0.626 5.938 -7.641 1.00 0.00 N ATOM 1003 CA ASP A 64 -0.074 7.196 -7.154 1.00 0.00 C ATOM 1004 C ASP A 64 1.110 6.929 -6.249 1.00 0.00 C ATOM 1005 O ASP A 64 2.127 7.621 -6.304 1.00 0.00 O ATOM 1006 CB ASP A 64 -1.138 7.994 -6.406 1.00 0.00 C ATOM 1007 CG ASP A 64 -0.835 9.479 -6.378 1.00 0.00 C ATOM 1008 OD1 ASP A 64 -0.969 10.091 -5.297 1.00 0.00 O ATOM 1009 OD2 ASP A 64 -0.465 10.029 -7.436 1.00 0.00 O ATOM 0 H ASP A 64 -1.630 5.831 -7.494 1.00 0.00 H new ATOM 0 HA ASP A 64 0.260 7.782 -8.010 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.107 7.833 -6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.215 7.623 -5.384 1.00 0.00 H new ATOM 1014 N VAL A 65 0.973 5.900 -5.430 1.00 0.00 N ATOM 1015 CA VAL A 65 2.032 5.507 -4.523 1.00 0.00 C ATOM 1016 C VAL A 65 3.089 4.717 -5.278 1.00 0.00 C ATOM 1017 O VAL A 65 4.266 4.739 -4.928 1.00 0.00 O ATOM 1018 CB VAL A 65 1.497 4.643 -3.360 1.00 0.00 C ATOM 1019 CG1 VAL A 65 2.468 4.663 -2.191 1.00 0.00 C ATOM 1020 CG2 VAL A 65 0.113 5.107 -2.923 1.00 0.00 C ATOM 0 H VAL A 65 0.135 5.321 -5.376 1.00 0.00 H new ATOM 0 HA VAL A 65 2.463 6.417 -4.106 1.00 0.00 H new ATOM 0 HB VAL A 65 1.407 3.616 -3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.075 4.049 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.432 4.267 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.595 5.687 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.239 4.481 -2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.165 6.144 -2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.579 5.029 -3.762 1.00 0.00 H new ATOM 1030 N LEU A 66 2.646 4.019 -6.323 1.00 0.00 N ATOM 1031 CA LEU A 66 3.531 3.203 -7.142 1.00 0.00 C ATOM 1032 C LEU A 66 4.344 4.051 -8.122 1.00 0.00 C ATOM 1033 O LEU A 66 5.245 3.542 -8.789 1.00 0.00 O ATOM 1034 CB LEU A 66 2.704 2.160 -7.899 1.00 0.00 C ATOM 1035 CG LEU A 66 3.063 0.707 -7.588 1.00 0.00 C ATOM 1036 CD1 LEU A 66 2.563 0.321 -6.204 1.00 0.00 C ATOM 1037 CD2 LEU A 66 2.492 -0.230 -8.646 1.00 0.00 C ATOM 0 H LEU A 66 1.671 4.005 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 66 4.241 2.704 -6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.650 2.316 -7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.825 2.328 -8.969 1.00 0.00 H new ATOM 0 HG LEU A 66 4.149 0.612 -7.602 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.827 -0.716 -5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.024 0.968 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.480 0.435 -6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.760 -1.258 -8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.407 -0.134 -8.669 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.901 0.031 -9.622 1.00 0.00 H new ATOM 1049 N GLN A 67 4.022 5.338 -8.212 1.00 0.00 N ATOM 1050 CA GLN A 67 4.727 6.238 -9.119 1.00 0.00 C ATOM 1051 C GLN A 67 5.855 6.988 -8.406 1.00 0.00 C ATOM 1052 O GLN A 67 6.696 7.611 -9.055 1.00 0.00 O ATOM 1053 CB GLN A 67 3.746 7.237 -9.737 1.00 0.00 C ATOM 1054 CG GLN A 67 3.711 7.192 -11.257 1.00 0.00 C ATOM 1055 CD GLN A 67 5.036 7.582 -11.881 1.00 0.00 C ATOM 1056 OE1 GLN A 67 5.296 8.759 -12.132 1.00 0.00 O ATOM 1057 NE2 GLN A 67 5.884 6.592 -12.136 1.00 0.00 N ATOM 0 H GLN A 67 3.280 5.780 -7.670 1.00 0.00 H new ATOM 0 HA GLN A 67 5.173 5.632 -9.907 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.746 7.037 -9.352 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.015 8.244 -9.417 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.443 6.187 -11.581 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.931 7.862 -11.619 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.628 5.631 -11.912 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.791 6.793 -12.556 1.00 0.00 H new ATOM 1066 N ARG A 68 5.866 6.937 -7.076 1.00 0.00 N ATOM 1067 CA ARG A 68 6.891 7.625 -6.299 1.00 0.00 C ATOM 1068 C ARG A 68 8.138 6.760 -6.128 1.00 0.00 C ATOM 1069 O ARG A 68 9.250 7.279 -6.018 1.00 0.00 O ATOM 1070 CB ARG A 68 6.336 8.022 -4.931 1.00 0.00 C ATOM 1071 CG ARG A 68 5.963 6.841 -4.051 1.00 0.00 C ATOM 1072 CD ARG A 68 6.406 7.052 -2.612 1.00 0.00 C ATOM 1073 NE ARG A 68 5.391 7.750 -1.824 1.00 0.00 N ATOM 1074 CZ ARG A 68 5.400 9.060 -1.584 1.00 0.00 C ATOM 1075 NH1 ARG A 68 6.367 9.831 -2.068 1.00 0.00 N ATOM 1076 NH2 ARG A 68 4.434 9.605 -0.855 1.00 0.00 N ATOM 0 H ARG A 68 5.180 6.429 -6.517 1.00 0.00 H new ATOM 0 HA ARG A 68 7.179 8.523 -6.846 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.077 8.630 -4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.455 8.648 -5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.884 6.691 -4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.423 5.934 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.621 6.087 -2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.333 7.625 -2.598 1.00 0.00 H new ATOM 0 HE ARG A 68 4.627 7.198 -1.433 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.113 9.421 -2.630 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.364 10.833 -1.878 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.687 9.021 -0.480 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.439 10.608 -0.670 1.00 0.00 H new ATOM 1090 N PHE A 69 7.953 5.443 -6.105 1.00 0.00 N ATOM 1091 CA PHE A 69 9.073 4.519 -5.949 1.00 0.00 C ATOM 1092 C PHE A 69 10.078 4.689 -7.083 1.00 0.00 C ATOM 1093 O PHE A 69 11.233 5.048 -6.855 1.00 0.00 O ATOM 1094 CB PHE A 69 8.574 3.074 -5.912 1.00 0.00 C ATOM 1095 CG PHE A 69 7.648 2.774 -4.767 1.00 0.00 C ATOM 1096 CD1 PHE A 69 6.284 2.943 -4.905 1.00 0.00 C ATOM 1097 CD2 PHE A 69 8.143 2.312 -3.558 1.00 0.00 C ATOM 1098 CE1 PHE A 69 5.429 2.654 -3.859 1.00 0.00 C ATOM 1099 CE2 PHE A 69 7.296 2.023 -2.506 1.00 0.00 C ATOM 1100 CZ PHE A 69 5.934 2.195 -2.661 1.00 0.00 C ATOM 0 H PHE A 69 7.042 4.993 -6.192 1.00 0.00 H new ATOM 0 HA PHE A 69 9.569 4.748 -5.006 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.060 2.854 -6.848 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.433 2.406 -5.855 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.882 3.305 -5.840 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.207 2.176 -3.436 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.364 2.788 -3.980 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.696 1.665 -1.569 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.265 1.970 -1.844 1.00 0.00 H new ATOM 1110 N GLY A 70 9.630 4.428 -8.306 1.00 0.00 N ATOM 1111 CA GLY A 70 10.501 4.554 -9.461 1.00 0.00 C ATOM 1112 C GLY A 70 10.153 3.568 -10.558 1.00 0.00 C ATOM 1113 O GLY A 70 8.978 3.330 -10.838 1.00 0.00 O ATOM 0 H GLY A 70 8.678 4.131 -8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.434 5.569 -9.854 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.535 4.399 -9.152 1.00 0.00 H new ATOM 1117 N SER A 71 11.176 2.992 -11.181 1.00 0.00 N ATOM 1118 CA SER A 71 10.970 2.025 -12.254 1.00 0.00 C ATOM 1119 C SER A 71 10.383 0.728 -11.708 1.00 0.00 C ATOM 1120 O SER A 71 9.498 0.128 -12.320 1.00 0.00 O ATOM 1121 CB SER A 71 12.290 1.739 -12.973 1.00 0.00 C ATOM 1122 OG SER A 71 12.075 1.484 -14.350 1.00 0.00 O ATOM 0 H SER A 71 12.155 3.177 -10.962 1.00 0.00 H new ATOM 0 HA SER A 71 10.264 2.453 -12.966 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.962 2.589 -12.858 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.780 0.881 -12.513 1.00 0.00 H new ATOM 0 HG SER A 71 12.934 1.306 -14.788 1.00 0.00 H new ATOM 1128 N GLN A 72 10.880 0.300 -10.552 1.00 0.00 N ATOM 1129 CA GLN A 72 10.404 -0.927 -9.923 1.00 0.00 C ATOM 1130 C GLN A 72 9.134 -0.666 -9.118 1.00 0.00 C ATOM 1131 O GLN A 72 9.187 -0.457 -7.906 1.00 0.00 O ATOM 1132 CB GLN A 72 11.490 -1.513 -9.016 1.00 0.00 C ATOM 1133 CG GLN A 72 12.148 -2.760 -9.584 1.00 0.00 C ATOM 1134 CD GLN A 72 13.543 -2.985 -9.031 1.00 0.00 C ATOM 1135 OE1 GLN A 72 13.885 -2.490 -7.957 1.00 0.00 O ATOM 1136 NE2 GLN A 72 14.355 -3.736 -9.765 1.00 0.00 N ATOM 0 H GLN A 72 11.612 0.784 -10.032 1.00 0.00 H new ATOM 0 HA GLN A 72 10.172 -1.646 -10.709 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.254 -0.756 -8.842 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.052 -1.752 -8.047 1.00 0.00 H new ATOM 0 HG2 GLN A 72 11.528 -3.628 -9.360 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.200 -2.677 -10.670 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.029 -4.126 -10.649 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.305 -3.923 -9.445 1.00 0.00 H new ATOM 1145 N ARG A 73 7.995 -0.677 -9.802 1.00 0.00 N ATOM 1146 CA ARG A 73 6.711 -0.441 -9.151 1.00 0.00 C ATOM 1147 C ARG A 73 6.230 -1.691 -8.418 1.00 0.00 C ATOM 1148 O ARG A 73 5.508 -1.599 -7.426 1.00 0.00 O ATOM 1149 CB ARG A 73 5.670 0.000 -10.182 1.00 0.00 C ATOM 1150 CG ARG A 73 5.363 -1.059 -11.229 1.00 0.00 C ATOM 1151 CD ARG A 73 5.270 -0.456 -12.621 1.00 0.00 C ATOM 1152 NE ARG A 73 6.589 -0.203 -13.198 1.00 0.00 N ATOM 1153 CZ ARG A 73 6.810 0.639 -14.205 1.00 0.00 C ATOM 1154 NH1 ARG A 73 5.804 1.311 -14.752 1.00 0.00 N ATOM 1155 NH2 ARG A 73 8.040 0.810 -14.668 1.00 0.00 N ATOM 0 H ARG A 73 7.934 -0.847 -10.806 1.00 0.00 H new ATOM 0 HA ARG A 73 6.843 0.353 -8.417 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.748 0.265 -9.664 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.025 0.901 -10.682 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.140 -1.823 -11.214 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.424 -1.554 -10.982 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.713 -1.130 -13.272 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.709 0.478 -12.575 1.00 0.00 H new ATOM 0 HE ARG A 73 7.388 -0.701 -12.806 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.855 1.184 -14.401 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.980 1.955 -15.523 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.817 0.296 -14.253 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.209 1.455 -15.440 1.00 0.00 H new ATOM 1169 N ASN A 74 6.638 -2.857 -8.910 1.00 0.00 N ATOM 1170 CA ASN A 74 6.251 -4.123 -8.298 1.00 0.00 C ATOM 1171 C ASN A 74 7.364 -4.650 -7.396 1.00 0.00 C ATOM 1172 O ASN A 74 7.594 -5.856 -7.314 1.00 0.00 O ATOM 1173 CB ASN A 74 5.917 -5.156 -9.376 1.00 0.00 C ATOM 1174 CG ASN A 74 4.495 -5.020 -9.885 1.00 0.00 C ATOM 1175 OD1 ASN A 74 4.281 -4.080 -10.799 1.00 0.00 O flip ATOM 1176 ND2 ASN A 74 3.600 -5.752 -9.463 1.00 0.00 N flip ATOM 0 H ASN A 74 7.236 -2.951 -9.731 1.00 0.00 H new ATOM 0 HA ASN A 74 5.364 -3.949 -7.689 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.611 -5.045 -10.209 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.061 -6.158 -8.972 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.810 -6.461 -8.760 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.648 -5.650 -9.816 1.00 0.00 H new ATOM 1183 N GLU A 75 8.052 -3.732 -6.725 1.00 0.00 N ATOM 1184 CA GLU A 75 9.148 -4.089 -5.828 1.00 0.00 C ATOM 1185 C GLU A 75 8.929 -3.521 -4.427 1.00 0.00 C ATOM 1186 O GLU A 75 9.768 -3.699 -3.544 1.00 0.00 O ATOM 1187 CB GLU A 75 10.468 -3.544 -6.376 1.00 0.00 C ATOM 1188 CG GLU A 75 11.689 -4.321 -5.912 1.00 0.00 C ATOM 1189 CD GLU A 75 11.583 -5.803 -6.211 1.00 0.00 C ATOM 1190 OE1 GLU A 75 11.527 -6.600 -5.250 1.00 0.00 O ATOM 1191 OE2 GLU A 75 11.558 -6.168 -7.405 1.00 0.00 O ATOM 0 H GLU A 75 7.869 -2.730 -6.785 1.00 0.00 H new ATOM 0 HA GLU A 75 9.182 -5.177 -5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.432 -3.557 -7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.574 -2.502 -6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.578 -3.918 -6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.820 -4.179 -4.839 1.00 0.00 H new ATOM 1198 N VAL A 76 7.816 -2.817 -4.238 1.00 0.00 N ATOM 1199 CA VAL A 76 7.504 -2.186 -2.955 1.00 0.00 C ATOM 1200 C VAL A 76 6.631 -3.069 -2.071 1.00 0.00 C ATOM 1201 O VAL A 76 6.011 -4.029 -2.531 1.00 0.00 O ATOM 1202 CB VAL A 76 6.804 -0.816 -3.155 1.00 0.00 C ATOM 1203 CG1 VAL A 76 6.580 -0.522 -4.631 1.00 0.00 C ATOM 1204 CG2 VAL A 76 5.487 -0.721 -2.377 1.00 0.00 C ATOM 0 H VAL A 76 7.111 -2.668 -4.960 1.00 0.00 H new ATOM 0 HA VAL A 76 8.460 -2.036 -2.453 1.00 0.00 H new ATOM 0 HB VAL A 76 7.475 -0.057 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.088 0.445 -4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.540 -0.500 -5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.952 -1.300 -5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.033 0.255 -2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.807 -1.502 -2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.683 -0.849 -1.312 1.00 0.00 H new ATOM 1214 N ARG A 77 6.566 -2.692 -0.801 1.00 0.00 N ATOM 1215 CA ARG A 77 5.750 -3.384 0.181 1.00 0.00 C ATOM 1216 C ARG A 77 4.868 -2.372 0.900 1.00 0.00 C ATOM 1217 O ARG A 77 5.305 -1.261 1.194 1.00 0.00 O ATOM 1218 CB ARG A 77 6.634 -4.130 1.183 1.00 0.00 C ATOM 1219 CG ARG A 77 7.245 -5.402 0.623 1.00 0.00 C ATOM 1220 CD ARG A 77 8.484 -5.814 1.402 1.00 0.00 C ATOM 1221 NE ARG A 77 9.530 -6.342 0.530 1.00 0.00 N ATOM 1222 CZ ARG A 77 10.768 -6.611 0.935 1.00 0.00 C ATOM 1223 NH1 ARG A 77 11.121 -6.402 2.198 1.00 0.00 N ATOM 1224 NH2 ARG A 77 11.657 -7.089 0.076 1.00 0.00 N ATOM 0 H ARG A 77 7.080 -1.895 -0.424 1.00 0.00 H new ATOM 0 HA ARG A 77 5.121 -4.117 -0.325 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.434 -3.467 1.513 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.041 -4.378 2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.509 -6.206 0.656 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.506 -5.251 -0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.869 -4.955 1.951 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.213 -6.568 2.141 1.00 0.00 H new ATOM 0 HE ARG A 77 9.297 -6.515 -0.448 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.441 -6.033 2.863 1.00 0.00 H new ATOM 0 HH12 ARG A 77 12.072 -6.610 2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.392 -7.251 -0.896 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.606 -7.295 0.386 1.00 0.00 H new ATOM 1238 N PHE A 78 3.630 -2.759 1.178 1.00 0.00 N ATOM 1239 CA PHE A 78 2.696 -1.887 1.877 1.00 0.00 C ATOM 1240 C PHE A 78 2.505 -2.417 3.288 1.00 0.00 C ATOM 1241 O PHE A 78 2.404 -3.621 3.482 1.00 0.00 O ATOM 1242 CB PHE A 78 1.355 -1.810 1.141 1.00 0.00 C ATOM 1243 CG PHE A 78 1.351 -0.828 0.005 1.00 0.00 C ATOM 1244 CD1 PHE A 78 0.463 0.236 -0.007 1.00 0.00 C ATOM 1245 CD2 PHE A 78 2.236 -0.970 -1.052 1.00 0.00 C ATOM 1246 CE1 PHE A 78 0.458 1.140 -1.051 1.00 0.00 C ATOM 1247 CE2 PHE A 78 2.235 -0.067 -2.099 1.00 0.00 C ATOM 1248 CZ PHE A 78 1.345 0.989 -2.098 1.00 0.00 C ATOM 0 H PHE A 78 3.249 -3.672 0.930 1.00 0.00 H new ATOM 0 HA PHE A 78 3.102 -0.876 1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.103 -2.799 0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.575 -1.535 1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.233 0.360 0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.934 -1.794 -1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.239 1.965 -1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.930 -0.187 -2.917 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.343 1.695 -2.915 1.00 0.00 H new ATOM 1258 N PHE A 79 2.514 -1.532 4.274 1.00 0.00 N ATOM 1259 CA PHE A 79 2.386 -1.961 5.671 1.00 0.00 C ATOM 1260 C PHE A 79 1.545 -0.979 6.483 1.00 0.00 C ATOM 1261 O PHE A 79 1.664 0.234 6.320 1.00 0.00 O ATOM 1262 CB PHE A 79 3.784 -2.122 6.281 1.00 0.00 C ATOM 1263 CG PHE A 79 4.871 -2.048 5.243 1.00 0.00 C ATOM 1264 CD1 PHE A 79 5.050 -0.884 4.521 1.00 0.00 C ATOM 1265 CD2 PHE A 79 5.678 -3.137 4.962 1.00 0.00 C ATOM 1266 CE1 PHE A 79 6.011 -0.796 3.541 1.00 0.00 C ATOM 1267 CE2 PHE A 79 6.648 -3.059 3.986 1.00 0.00 C ATOM 1268 CZ PHE A 79 6.814 -1.889 3.275 1.00 0.00 C ATOM 0 H PHE A 79 2.607 -0.525 4.143 1.00 0.00 H new ATOM 0 HA PHE A 79 1.869 -2.920 5.697 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.944 -1.344 7.028 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.844 -3.079 6.799 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.425 -0.029 4.730 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.546 -4.057 5.513 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.137 0.120 2.983 1.00 0.00 H new ATOM 0 HE2 PHE A 79 7.277 -3.912 3.778 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.573 -1.827 2.509 1.00 0.00 H new ATOM 1278 N LEU A 80 0.693 -1.506 7.361 1.00 0.00 N ATOM 1279 CA LEU A 80 -0.172 -0.656 8.178 1.00 0.00 C ATOM 1280 C LEU A 80 0.477 -0.319 9.515 1.00 0.00 C ATOM 1281 O LEU A 80 0.849 -1.207 10.282 1.00 0.00 O ATOM 1282 CB LEU A 80 -1.518 -1.352 8.421 1.00 0.00 C ATOM 1283 CG LEU A 80 -2.756 -0.522 8.073 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -2.973 0.584 9.093 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -2.633 0.046 6.668 1.00 0.00 C ATOM 0 H LEU A 80 0.583 -2.507 7.524 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.332 0.274 7.633 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.543 -2.273 7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.576 -1.638 9.471 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.628 -1.175 8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.859 1.159 8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.112 0.145 10.081 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.104 1.242 9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.521 0.634 6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.750 0.683 6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.540 -0.771 5.952 1.00 0.00 H new ATOM 1297 N ARG A 81 0.610 0.980 9.784 1.00 0.00 N ATOM 1298 CA ARG A 81 1.212 1.448 11.026 1.00 0.00 C ATOM 1299 C ARG A 81 0.168 2.102 11.925 1.00 0.00 C ATOM 1300 O ARG A 81 -0.421 3.121 11.567 1.00 0.00 O ATOM 1301 CB ARG A 81 2.336 2.441 10.727 1.00 0.00 C ATOM 1302 CG ARG A 81 3.448 1.860 9.868 1.00 0.00 C ATOM 1303 CD ARG A 81 4.706 1.605 10.680 1.00 0.00 C ATOM 1304 NE ARG A 81 5.408 0.402 10.240 1.00 0.00 N ATOM 1305 CZ ARG A 81 6.313 -0.238 10.975 1.00 0.00 C ATOM 1306 NH1 ARG A 81 6.628 0.205 12.187 1.00 0.00 N ATOM 1307 NH2 ARG A 81 6.905 -1.326 10.500 1.00 0.00 N ATOM 0 H ARG A 81 0.308 1.725 9.156 1.00 0.00 H new ATOM 0 HA ARG A 81 1.625 0.585 11.548 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.916 3.312 10.223 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.760 2.791 11.668 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.110 0.927 9.417 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.674 2.546 9.051 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.372 2.464 10.596 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.444 1.507 11.733 1.00 0.00 H new ATOM 0 HE ARG A 81 5.191 0.031 9.315 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.175 1.040 12.558 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.323 -0.290 12.746 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.666 -1.672 9.571 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.599 -1.816 11.064 1.00 0.00 H new