USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 681 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 39 MET CE :methyl 144:sc= -5.17 (180deg=-1.75!) USER MOD Set 1.2: A 55 GLN : amide:sc= -5.28 K(o=-10,f=-12!) USER MOD Set 2.1: A 20 MET CE :methyl -128:sc= -2.15 (180deg=-7.99!) USER MOD Set 2.2: A 60 TYR OH : rot 159:sc= -0.506 USER MOD Single : A 9 SER OG : rot 180:sc=-0.00339 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.4!) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.0412! F(o=-1.3,f=-0.041!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 130:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -80:sc= -1.53 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc=-0.00781 X(o=-0.0078,f=-0.015) USER MOD Single : A 50 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 54 GLN : amide:sc=-0.00355 K(o=-0.0035,f=-1.2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.04 K(o=-1,f=-2.4) USER MOD Single : A 69 HIS : no HD1:sc= -0.0443 X(o=-0.044,f=-0.044) USER MOD Single : A 71 SER OG : rot 110:sc= -0.89 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 175:sc= 0.0873 USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N SER A 9 -12.284 -4.810 -4.266 1.00 0.00 N ATOM 135 CA SER A 9 -13.161 -5.966 -4.344 1.00 0.00 C ATOM 136 C SER A 9 -12.628 -7.088 -3.451 1.00 0.00 C ATOM 137 O SER A 9 -11.529 -6.986 -2.909 1.00 0.00 O ATOM 138 CB SER A 9 -13.298 -6.457 -5.787 1.00 0.00 C ATOM 139 OG SER A 9 -14.605 -6.230 -6.306 1.00 0.00 O ATOM 0 HA SER A 9 -14.150 -5.669 -3.994 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.566 -5.949 -6.414 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.070 -7.522 -5.831 1.00 0.00 H new ATOM 0 HG SER A 9 -14.651 -6.555 -7.229 1.00 0.00 H new ATOM 145 N PRO A 10 -13.454 -8.161 -3.322 1.00 0.00 N ATOM 146 CA PRO A 10 -13.078 -9.301 -2.503 1.00 0.00 C ATOM 147 C PRO A 10 -12.021 -10.156 -3.206 1.00 0.00 C ATOM 148 O PRO A 10 -11.576 -11.167 -2.666 1.00 0.00 O ATOM 149 CB PRO A 10 -14.376 -10.050 -2.251 1.00 0.00 C ATOM 150 CG PRO A 10 -15.349 -9.568 -3.314 1.00 0.00 C ATOM 151 CD PRO A 10 -14.763 -8.317 -3.949 1.00 0.00 C ATOM 0 HA PRO A 10 -12.614 -9.008 -1.561 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.225 -11.127 -2.320 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.757 -9.845 -1.251 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -15.506 -10.341 -4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -16.322 -9.352 -2.872 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.674 -8.426 -5.030 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -15.395 -7.448 -3.768 1.00 0.00 H new ATOM 159 N SER A 11 -11.650 -9.717 -4.400 1.00 0.00 N ATOM 160 CA SER A 11 -10.654 -10.429 -5.182 1.00 0.00 C ATOM 161 C SER A 11 -9.251 -10.102 -4.666 1.00 0.00 C ATOM 162 O SER A 11 -8.453 -11.003 -4.413 1.00 0.00 O ATOM 163 CB SER A 11 -10.768 -10.081 -6.668 1.00 0.00 C ATOM 164 OG SER A 11 -10.665 -11.235 -7.497 1.00 0.00 O ATOM 0 H SER A 11 -12.021 -8.877 -4.845 1.00 0.00 H new ATOM 0 HA SER A 11 -10.834 -11.498 -5.072 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.722 -9.587 -6.852 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.985 -9.372 -6.935 1.00 0.00 H new ATOM 0 HG SER A 11 -10.744 -10.970 -8.437 1.00 0.00 H new ATOM 170 N ASP A 12 -8.993 -8.810 -4.527 1.00 0.00 N ATOM 171 CA ASP A 12 -7.701 -8.353 -4.045 1.00 0.00 C ATOM 172 C ASP A 12 -7.613 -8.584 -2.536 1.00 0.00 C ATOM 173 O ASP A 12 -6.576 -9.010 -2.029 1.00 0.00 O ATOM 174 CB ASP A 12 -7.514 -6.857 -4.306 1.00 0.00 C ATOM 175 CG ASP A 12 -6.762 -6.514 -5.593 1.00 0.00 C ATOM 176 OD1 ASP A 12 -7.312 -6.822 -6.672 1.00 0.00 O ATOM 177 OD2 ASP A 12 -5.652 -5.951 -5.469 1.00 0.00 O ATOM 0 H ASP A 12 -9.657 -8.065 -4.740 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.928 -8.911 -4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.495 -6.384 -4.340 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.978 -6.421 -3.463 1.00 0.00 H new ATOM 182 N PHE A 13 -8.714 -8.294 -1.859 1.00 0.00 N ATOM 183 CA PHE A 13 -8.774 -8.465 -0.417 1.00 0.00 C ATOM 184 C PHE A 13 -8.464 -9.911 -0.024 1.00 0.00 C ATOM 185 O PHE A 13 -7.858 -10.158 1.018 1.00 0.00 O ATOM 186 CB PHE A 13 -10.202 -8.126 0.014 1.00 0.00 C ATOM 187 CG PHE A 13 -10.309 -7.587 1.442 1.00 0.00 C ATOM 188 CD1 PHE A 13 -10.383 -8.449 2.491 1.00 0.00 C ATOM 189 CD2 PHE A 13 -10.330 -6.245 1.662 1.00 0.00 C ATOM 190 CE1 PHE A 13 -10.482 -7.949 3.816 1.00 0.00 C ATOM 191 CE2 PHE A 13 -10.430 -5.744 2.987 1.00 0.00 C ATOM 192 CZ PHE A 13 -10.504 -6.607 4.036 1.00 0.00 C ATOM 0 H PHE A 13 -9.572 -7.941 -2.282 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.040 -7.820 0.066 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -10.613 -7.387 -0.674 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -10.819 -9.020 -0.073 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.366 -9.515 2.316 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.271 -5.560 0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.540 -8.634 4.649 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -10.447 -4.678 3.162 1.00 0.00 H new ATOM 0 HZ PHE A 13 -10.580 -6.226 5.044 1.00 0.00 H new ATOM 202 N ALA A 14 -8.894 -10.828 -0.878 1.00 0.00 N ATOM 203 CA ALA A 14 -8.669 -12.242 -0.632 1.00 0.00 C ATOM 204 C ALA A 14 -7.165 -12.522 -0.623 1.00 0.00 C ATOM 205 O ALA A 14 -6.632 -13.040 0.357 1.00 0.00 O ATOM 206 CB ALA A 14 -9.410 -13.068 -1.687 1.00 0.00 C ATOM 0 H ALA A 14 -9.397 -10.619 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.063 -12.529 0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.241 -14.129 -1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.478 -12.855 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.039 -12.809 -2.679 1.00 0.00 H new ATOM 212 N GLN A 15 -6.523 -12.167 -1.726 1.00 0.00 N ATOM 213 CA GLN A 15 -5.091 -12.373 -1.858 1.00 0.00 C ATOM 214 C GLN A 15 -4.357 -11.781 -0.653 1.00 0.00 C ATOM 215 O GLN A 15 -3.613 -12.482 0.031 1.00 0.00 O ATOM 216 CB GLN A 15 -4.569 -11.776 -3.166 1.00 0.00 C ATOM 217 CG GLN A 15 -3.719 -12.792 -3.932 1.00 0.00 C ATOM 218 CD GLN A 15 -4.595 -13.879 -4.557 1.00 0.00 C ATOM 219 OE1 GLN A 15 -5.796 -13.732 -4.713 1.00 0.00 O ATOM 220 NE2 GLN A 15 -3.929 -14.977 -4.905 1.00 0.00 N ATOM 0 H GLN A 15 -6.969 -11.738 -2.537 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.899 -13.446 -1.885 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.408 -11.458 -3.785 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.975 -10.887 -2.953 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.153 -12.283 -4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.994 -13.247 -3.257 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.923 -15.035 -4.747 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.424 -15.761 -5.330 1.00 0.00 H new ATOM 229 N LEU A 16 -4.590 -10.496 -0.431 1.00 0.00 N ATOM 230 CA LEU A 16 -3.960 -9.801 0.679 1.00 0.00 C ATOM 231 C LEU A 16 -4.220 -10.575 1.972 1.00 0.00 C ATOM 232 O LEU A 16 -3.320 -10.737 2.795 1.00 0.00 O ATOM 233 CB LEU A 16 -4.422 -8.344 0.730 1.00 0.00 C ATOM 234 CG LEU A 16 -3.475 -7.364 1.426 1.00 0.00 C ATOM 235 CD1 LEU A 16 -2.652 -8.070 2.506 1.00 0.00 C ATOM 236 CD2 LEU A 16 -2.588 -6.643 0.410 1.00 0.00 C ATOM 0 H LEU A 16 -5.207 -9.917 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.879 -9.763 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.584 -7.999 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.387 -8.307 1.236 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.077 -6.604 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.987 -7.351 2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.322 -8.498 3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.060 -8.864 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.925 -5.953 0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.993 -7.374 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.213 -6.087 -0.289 1.00 0.00 H new ATOM 248 N GLN A 17 -5.456 -11.033 2.112 1.00 0.00 N ATOM 249 CA GLN A 17 -5.846 -11.786 3.292 1.00 0.00 C ATOM 250 C GLN A 17 -4.964 -13.028 3.445 1.00 0.00 C ATOM 251 O GLN A 17 -4.301 -13.200 4.466 1.00 0.00 O ATOM 252 CB GLN A 17 -7.326 -12.169 3.234 1.00 0.00 C ATOM 253 CG GLN A 17 -7.829 -12.623 4.606 1.00 0.00 C ATOM 254 CD GLN A 17 -8.789 -13.807 4.473 1.00 0.00 C ATOM 255 OE1 GLN A 17 -9.845 -13.563 3.702 1.00 0.00 O flip ATOM 256 NE2 GLN A 17 -8.585 -14.871 5.033 1.00 0.00 N flip ATOM 0 H GLN A 17 -6.200 -10.897 1.428 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.703 -11.152 4.167 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.913 -11.317 2.891 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.470 -12.968 2.507 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.983 -12.905 5.233 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.333 -11.795 5.105 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.753 -14.992 5.611 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.246 -15.640 4.923 1.00 0.00 H new ATOM 265 N LYS A 18 -4.986 -13.860 2.414 1.00 0.00 N ATOM 266 CA LYS A 18 -4.197 -15.080 2.421 1.00 0.00 C ATOM 267 C LYS A 18 -2.737 -14.737 2.724 1.00 0.00 C ATOM 268 O LYS A 18 -2.165 -15.240 3.690 1.00 0.00 O ATOM 269 CB LYS A 18 -4.389 -15.849 1.112 1.00 0.00 C ATOM 270 CG LYS A 18 -3.911 -17.296 1.252 1.00 0.00 C ATOM 271 CD LYS A 18 -2.807 -17.609 0.241 1.00 0.00 C ATOM 272 CE LYS A 18 -1.804 -18.612 0.816 1.00 0.00 C ATOM 273 NZ LYS A 18 -1.614 -19.747 -0.114 1.00 0.00 N ATOM 0 H LYS A 18 -5.538 -13.713 1.569 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.538 -15.749 3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.442 -15.836 0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.837 -15.356 0.312 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.541 -17.464 2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.750 -17.976 1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.248 -18.012 -0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.290 -16.690 -0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.849 -18.118 0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.159 -18.979 1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.931 -20.418 0.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.524 -20.228 -0.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.254 -19.394 -1.024 1.00 0.00 H new ATOM 287 N TYR A 19 -2.176 -13.883 1.881 1.00 0.00 N ATOM 288 CA TYR A 19 -0.794 -13.466 2.047 1.00 0.00 C ATOM 289 C TYR A 19 -0.551 -12.922 3.456 1.00 0.00 C ATOM 290 O TYR A 19 0.479 -13.205 4.066 1.00 0.00 O ATOM 291 CB TYR A 19 -0.567 -12.343 1.033 1.00 0.00 C ATOM 292 CG TYR A 19 -0.353 -12.833 -0.400 1.00 0.00 C ATOM 293 CD1 TYR A 19 0.454 -13.926 -0.643 1.00 0.00 C ATOM 294 CD2 TYR A 19 -0.968 -12.182 -1.451 1.00 0.00 C ATOM 295 CE1 TYR A 19 0.655 -14.387 -1.992 1.00 0.00 C ATOM 296 CE2 TYR A 19 -0.767 -12.643 -2.800 1.00 0.00 C ATOM 297 CZ TYR A 19 0.035 -13.723 -3.004 1.00 0.00 C ATOM 298 OH TYR A 19 0.225 -14.158 -4.279 1.00 0.00 O ATOM 0 H TYR A 19 -2.653 -13.468 1.081 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.119 -14.308 1.896 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.425 -11.671 1.052 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.301 -11.760 1.340 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.935 -14.436 0.179 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.600 -11.327 -1.261 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.284 -15.241 -2.196 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.242 -12.143 -3.631 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.643 -14.258 -4.723 1.00 0.00 H new ATOM 308 N MET A 20 -1.516 -12.149 3.933 1.00 0.00 N ATOM 309 CA MET A 20 -1.420 -11.563 5.258 1.00 0.00 C ATOM 310 C MET A 20 -1.543 -12.635 6.343 1.00 0.00 C ATOM 311 O MET A 20 -0.833 -12.592 7.346 1.00 0.00 O ATOM 312 CB MET A 20 -2.529 -10.524 5.439 1.00 0.00 C ATOM 313 CG MET A 20 -2.578 -10.020 6.883 1.00 0.00 C ATOM 314 SD MET A 20 -4.023 -8.999 7.124 1.00 0.00 S ATOM 315 CE MET A 20 -3.601 -7.614 6.080 1.00 0.00 C ATOM 0 H MET A 20 -2.369 -11.915 3.424 1.00 0.00 H new ATOM 0 HA MET A 20 -0.444 -11.087 5.353 1.00 0.00 H new ATOM 0 HB2 MET A 20 -2.361 -9.686 4.763 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.490 -10.962 5.170 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.601 -10.865 7.571 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.677 -9.449 7.108 1.00 0.00 H new ATOM 0 HE1 MET A 20 -3.700 -6.688 6.646 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.573 -7.719 5.734 1.00 0.00 H new ATOM 0 HE3 MET A 20 -4.272 -7.588 5.222 1.00 0.00 H new ATOM 325 N GLU A 21 -2.449 -13.571 6.104 1.00 0.00 N ATOM 326 CA GLU A 21 -2.674 -14.653 7.048 1.00 0.00 C ATOM 327 C GLU A 21 -1.347 -15.318 7.420 1.00 0.00 C ATOM 328 O GLU A 21 -1.166 -15.757 8.554 1.00 0.00 O ATOM 329 CB GLU A 21 -3.661 -15.677 6.484 1.00 0.00 C ATOM 330 CG GLU A 21 -5.100 -15.166 6.586 1.00 0.00 C ATOM 331 CD GLU A 21 -6.058 -16.298 6.963 1.00 0.00 C ATOM 332 OE1 GLU A 21 -5.647 -17.135 7.796 1.00 0.00 O ATOM 333 OE2 GLU A 21 -7.179 -16.300 6.410 1.00 0.00 O ATOM 0 H GLU A 21 -3.036 -13.603 5.271 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.114 -14.233 7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.418 -15.885 5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.566 -16.617 7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.156 -14.373 7.332 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.403 -14.730 5.634 1.00 0.00 H new ATOM 340 N TYR A 22 -0.454 -15.371 6.442 1.00 0.00 N ATOM 341 CA TYR A 22 0.850 -15.974 6.653 1.00 0.00 C ATOM 342 C TYR A 22 1.796 -15.003 7.362 1.00 0.00 C ATOM 343 O TYR A 22 2.548 -15.401 8.251 1.00 0.00 O ATOM 344 CB TYR A 22 1.403 -16.280 5.259 1.00 0.00 C ATOM 345 CG TYR A 22 1.996 -17.683 5.119 1.00 0.00 C ATOM 346 CD1 TYR A 22 1.178 -18.791 5.216 1.00 0.00 C ATOM 347 CD2 TYR A 22 3.349 -17.842 4.895 1.00 0.00 C ATOM 348 CE1 TYR A 22 1.736 -20.112 5.084 1.00 0.00 C ATOM 349 CE2 TYR A 22 3.907 -19.162 4.763 1.00 0.00 C ATOM 350 CZ TYR A 22 3.073 -20.232 4.864 1.00 0.00 C ATOM 351 OH TYR A 22 3.600 -21.480 4.739 1.00 0.00 O ATOM 0 H TYR A 22 -0.609 -15.006 5.502 1.00 0.00 H new ATOM 0 HA TYR A 22 0.764 -16.865 7.274 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.604 -16.160 4.528 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.171 -15.546 5.015 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.119 -18.667 5.391 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.989 -16.975 4.819 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.108 -20.987 5.158 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.964 -19.300 4.588 1.00 0.00 H new ATOM 0 HH TYR A 22 4.565 -21.413 4.584 1.00 0.00 H new ATOM 361 N SER A 23 1.727 -13.748 6.943 1.00 0.00 N ATOM 362 CA SER A 23 2.568 -12.717 7.527 1.00 0.00 C ATOM 363 C SER A 23 2.044 -12.338 8.914 1.00 0.00 C ATOM 364 O SER A 23 0.835 -12.301 9.135 1.00 0.00 O ATOM 365 CB SER A 23 2.630 -11.481 6.627 1.00 0.00 C ATOM 366 OG SER A 23 1.724 -11.574 5.530 1.00 0.00 O ATOM 0 H SER A 23 1.102 -13.422 6.206 1.00 0.00 H new ATOM 0 HA SER A 23 3.579 -13.114 7.623 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.398 -10.593 7.214 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.645 -11.358 6.250 1.00 0.00 H new ATOM 0 HG SER A 23 2.116 -12.135 4.829 1.00 0.00 H new ATOM 372 N THR A 24 2.980 -12.066 9.811 1.00 0.00 N ATOM 373 CA THR A 24 2.628 -11.691 11.170 1.00 0.00 C ATOM 374 C THR A 24 3.477 -10.505 11.633 1.00 0.00 C ATOM 375 O THR A 24 3.482 -10.165 12.815 1.00 0.00 O ATOM 376 CB THR A 24 2.779 -12.929 12.056 1.00 0.00 C ATOM 377 OG1 THR A 24 4.134 -13.327 11.869 1.00 0.00 O ATOM 378 CG2 THR A 24 1.967 -14.119 11.542 1.00 0.00 C ATOM 0 H THR A 24 3.982 -12.098 9.623 1.00 0.00 H new ATOM 0 HA THR A 24 1.593 -11.353 11.232 1.00 0.00 H new ATOM 0 HB THR A 24 2.467 -12.688 13.072 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.319 -14.123 12.410 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.109 -14.971 12.207 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.910 -13.853 11.514 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.302 -14.382 10.539 1.00 0.00 H new ATOM 386 N LYS A 25 4.173 -9.908 10.677 1.00 0.00 N ATOM 387 CA LYS A 25 5.024 -8.767 10.972 1.00 0.00 C ATOM 388 C LYS A 25 4.167 -7.501 11.035 1.00 0.00 C ATOM 389 O LYS A 25 2.950 -7.562 10.870 1.00 0.00 O ATOM 390 CB LYS A 25 6.173 -8.682 9.966 1.00 0.00 C ATOM 391 CG LYS A 25 7.488 -9.148 10.595 1.00 0.00 C ATOM 392 CD LYS A 25 8.644 -9.031 9.599 1.00 0.00 C ATOM 393 CE LYS A 25 9.283 -7.643 9.661 1.00 0.00 C ATOM 394 NZ LYS A 25 10.719 -7.717 9.309 1.00 0.00 N ATOM 0 H LYS A 25 4.165 -10.193 9.698 1.00 0.00 H new ATOM 0 HA LYS A 25 5.494 -8.884 11.949 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.945 -9.296 9.095 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.278 -7.656 9.614 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.704 -8.550 11.480 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.391 -10.182 10.925 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.395 -9.791 9.817 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.280 -9.223 8.590 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.769 -6.969 8.976 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.169 -7.228 10.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.137 -6.766 9.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.209 -8.344 9.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.821 -8.093 8.345 1.00 0.00 H new ATOM 408 N LYS A 26 4.837 -6.383 11.276 1.00 0.00 N ATOM 409 CA LYS A 26 4.152 -5.105 11.364 1.00 0.00 C ATOM 410 C LYS A 26 4.419 -4.300 10.090 1.00 0.00 C ATOM 411 O LYS A 26 5.518 -4.348 9.540 1.00 0.00 O ATOM 412 CB LYS A 26 4.547 -4.373 12.648 1.00 0.00 C ATOM 413 CG LYS A 26 4.111 -5.161 13.885 1.00 0.00 C ATOM 414 CD LYS A 26 2.909 -4.499 14.561 1.00 0.00 C ATOM 415 CE LYS A 26 2.400 -5.349 15.727 1.00 0.00 C ATOM 416 NZ LYS A 26 0.937 -5.187 15.886 1.00 0.00 N ATOM 0 H LYS A 26 5.847 -6.336 11.413 1.00 0.00 H new ATOM 0 HA LYS A 26 3.074 -5.254 11.428 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.627 -4.225 12.669 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.089 -3.384 12.662 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.856 -6.181 13.599 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.940 -5.225 14.590 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.190 -3.510 14.923 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.110 -4.358 13.833 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.639 -6.398 15.552 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.906 -5.056 16.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.608 -5.770 16.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.717 -4.188 16.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.458 -5.488 15.014 1.00 0.00 H new ATOM 430 N VAL A 27 3.395 -3.578 9.659 1.00 0.00 N ATOM 431 CA VAL A 27 3.505 -2.764 8.461 1.00 0.00 C ATOM 432 C VAL A 27 4.376 -1.542 8.758 1.00 0.00 C ATOM 433 O VAL A 27 5.002 -0.987 7.856 1.00 0.00 O ATOM 434 CB VAL A 27 2.110 -2.394 7.950 1.00 0.00 C ATOM 435 CG1 VAL A 27 1.397 -1.461 8.930 1.00 0.00 C ATOM 436 CG2 VAL A 27 2.186 -1.771 6.555 1.00 0.00 C ATOM 0 H VAL A 27 2.485 -3.540 10.118 1.00 0.00 H new ATOM 0 HA VAL A 27 3.992 -3.324 7.662 1.00 0.00 H new ATOM 0 HB VAL A 27 1.525 -3.311 7.876 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.408 -1.214 8.543 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.295 -1.956 9.896 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.978 -0.547 9.051 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.182 -1.517 6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.796 -0.868 6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.635 -2.483 5.862 1.00 0.00 H new ATOM 446 N SER A 28 4.387 -1.157 10.026 1.00 0.00 N ATOM 447 CA SER A 28 5.171 -0.011 10.453 1.00 0.00 C ATOM 448 C SER A 28 6.663 -0.344 10.388 1.00 0.00 C ATOM 449 O SER A 28 7.482 0.519 10.076 1.00 0.00 O ATOM 450 CB SER A 28 4.786 0.423 11.869 1.00 0.00 C ATOM 451 OG SER A 28 4.658 1.838 11.977 1.00 0.00 O ATOM 0 H SER A 28 3.865 -1.619 10.771 1.00 0.00 H new ATOM 0 HA SER A 28 4.960 0.818 9.778 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.844 -0.049 12.149 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.540 0.072 12.573 1.00 0.00 H new ATOM 0 HG SER A 28 4.410 2.075 12.895 1.00 0.00 H new ATOM 457 N ASP A 29 6.971 -1.597 10.687 1.00 0.00 N ATOM 458 CA ASP A 29 8.350 -2.055 10.667 1.00 0.00 C ATOM 459 C ASP A 29 8.796 -2.252 9.216 1.00 0.00 C ATOM 460 O ASP A 29 9.971 -2.084 8.896 1.00 0.00 O ATOM 461 CB ASP A 29 8.497 -3.393 11.393 1.00 0.00 C ATOM 462 CG ASP A 29 8.373 -3.320 12.916 1.00 0.00 C ATOM 463 OD1 ASP A 29 8.039 -2.220 13.406 1.00 0.00 O ATOM 464 OD2 ASP A 29 8.616 -4.366 13.556 1.00 0.00 O ATOM 0 H ASP A 29 6.289 -2.310 10.945 1.00 0.00 H new ATOM 0 HA ASP A 29 8.962 -1.305 11.168 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.740 -4.080 11.015 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.468 -3.820 11.143 1.00 0.00 H new ATOM 469 N VAL A 30 7.833 -2.605 8.378 1.00 0.00 N ATOM 470 CA VAL A 30 8.111 -2.827 6.969 1.00 0.00 C ATOM 471 C VAL A 30 8.380 -1.483 6.289 1.00 0.00 C ATOM 472 O VAL A 30 9.230 -1.390 5.405 1.00 0.00 O ATOM 473 CB VAL A 30 6.962 -3.604 6.324 1.00 0.00 C ATOM 474 CG1 VAL A 30 7.129 -3.670 4.805 1.00 0.00 C ATOM 475 CG2 VAL A 30 6.843 -5.006 6.925 1.00 0.00 C ATOM 0 H VAL A 30 6.859 -2.743 8.647 1.00 0.00 H new ATOM 0 HA VAL A 30 9.006 -3.438 6.848 1.00 0.00 H new ATOM 0 HB VAL A 30 6.036 -3.070 6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.299 -4.228 4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.140 -2.660 4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.067 -4.170 4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.019 -5.537 6.449 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.771 -5.553 6.759 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.654 -4.928 7.996 1.00 0.00 H new ATOM 485 N LEU A 31 7.639 -0.476 6.727 1.00 0.00 N ATOM 486 CA LEU A 31 7.787 0.859 6.172 1.00 0.00 C ATOM 487 C LEU A 31 9.121 1.452 6.629 1.00 0.00 C ATOM 488 O LEU A 31 9.729 2.246 5.913 1.00 0.00 O ATOM 489 CB LEU A 31 6.576 1.724 6.527 1.00 0.00 C ATOM 490 CG LEU A 31 5.298 1.447 5.732 1.00 0.00 C ATOM 491 CD1 LEU A 31 4.245 2.526 5.993 1.00 0.00 C ATOM 492 CD2 LEU A 31 5.603 1.293 4.241 1.00 0.00 C ATOM 0 H LEU A 31 6.934 -0.558 7.460 1.00 0.00 H new ATOM 0 HA LEU A 31 7.812 0.818 5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.357 1.591 7.586 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.848 2.770 6.387 1.00 0.00 H new ATOM 0 HG LEU A 31 4.881 0.500 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.347 2.305 5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.999 2.545 7.055 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.638 3.498 5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.678 1.097 3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.056 2.211 3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.293 0.462 4.095 1.00 0.00 H new ATOM 504 N LYS A 32 9.538 1.043 7.818 1.00 0.00 N ATOM 505 CA LYS A 32 10.789 1.524 8.379 1.00 0.00 C ATOM 506 C LYS A 32 11.937 1.168 7.433 1.00 0.00 C ATOM 507 O LYS A 32 12.973 1.830 7.431 1.00 0.00 O ATOM 508 CB LYS A 32 10.977 0.994 9.802 1.00 0.00 C ATOM 509 CG LYS A 32 11.797 -0.298 9.802 1.00 0.00 C ATOM 510 CD LYS A 32 13.260 -0.019 10.150 1.00 0.00 C ATOM 511 CE LYS A 32 14.059 -1.320 10.242 1.00 0.00 C ATOM 512 NZ LYS A 32 14.708 -1.437 11.567 1.00 0.00 N ATOM 0 H LYS A 32 9.031 0.384 8.409 1.00 0.00 H new ATOM 0 HA LYS A 32 10.774 2.610 8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.478 1.747 10.411 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.004 0.811 10.257 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.376 -1.000 10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.737 -0.771 8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.700 0.630 9.393 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.317 0.515 11.099 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.399 -2.172 10.077 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.815 -1.346 9.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.246 -2.326 11.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.353 -0.634 11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.981 -1.434 12.311 1.00 0.00 H new ATOM 526 N LEU A 33 11.715 0.121 6.652 1.00 0.00 N ATOM 527 CA LEU A 33 12.718 -0.332 5.703 1.00 0.00 C ATOM 528 C LEU A 33 12.774 0.641 4.523 1.00 0.00 C ATOM 529 O LEU A 33 13.835 0.854 3.939 1.00 0.00 O ATOM 530 CB LEU A 33 12.452 -1.782 5.293 1.00 0.00 C ATOM 531 CG LEU A 33 13.191 -2.853 6.098 1.00 0.00 C ATOM 532 CD1 LEU A 33 12.829 -4.255 5.605 1.00 0.00 C ATOM 533 CD2 LEU A 33 14.701 -2.610 6.076 1.00 0.00 C ATOM 0 H LEU A 33 10.855 -0.427 6.657 1.00 0.00 H new ATOM 0 HA LEU A 33 13.706 -0.332 6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.381 -1.970 5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.719 -1.897 4.242 1.00 0.00 H new ATOM 0 HG LEU A 33 12.869 -2.783 7.137 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.367 -4.998 6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.756 -4.413 5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.105 -4.354 4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.203 -3.385 6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.059 -2.637 5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.919 -1.634 6.510 1.00 0.00 H new ATOM 545 N PHE A 34 11.617 1.205 4.208 1.00 0.00 N ATOM 546 CA PHE A 34 11.521 2.150 3.108 1.00 0.00 C ATOM 547 C PHE A 34 11.970 3.546 3.544 1.00 0.00 C ATOM 548 O PHE A 34 12.216 4.413 2.706 1.00 0.00 O ATOM 549 CB PHE A 34 10.049 2.206 2.694 1.00 0.00 C ATOM 550 CG PHE A 34 9.616 1.059 1.779 1.00 0.00 C ATOM 551 CD1 PHE A 34 9.283 -0.147 2.312 1.00 0.00 C ATOM 552 CD2 PHE A 34 9.563 1.246 0.433 1.00 0.00 C ATOM 553 CE1 PHE A 34 8.881 -1.212 1.463 1.00 0.00 C ATOM 554 CE2 PHE A 34 9.161 0.181 -0.416 1.00 0.00 C ATOM 555 CZ PHE A 34 8.828 -1.025 0.116 1.00 0.00 C ATOM 0 H PHE A 34 10.739 1.026 4.695 1.00 0.00 H new ATOM 0 HA PHE A 34 12.163 1.832 2.286 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.429 2.196 3.591 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.860 3.152 2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.324 -0.295 3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.827 2.204 0.010 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.617 -2.170 1.886 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.120 0.329 -1.485 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.522 -1.834 -0.530 1.00 0.00 H new ATOM 565 N GLU A 35 12.062 3.721 4.854 1.00 0.00 N ATOM 566 CA GLU A 35 12.477 4.997 5.411 1.00 0.00 C ATOM 567 C GLU A 35 14.003 5.101 5.421 1.00 0.00 C ATOM 568 O GLU A 35 14.563 6.113 5.002 1.00 0.00 O ATOM 569 CB GLU A 35 11.905 5.193 6.817 1.00 0.00 C ATOM 570 CG GLU A 35 12.980 4.969 7.882 1.00 0.00 C ATOM 571 CD GLU A 35 12.420 5.212 9.285 1.00 0.00 C ATOM 572 OE1 GLU A 35 11.559 6.111 9.405 1.00 0.00 O ATOM 573 OE2 GLU A 35 12.865 4.494 10.206 1.00 0.00 O ATOM 0 H GLU A 35 11.856 3.000 5.546 1.00 0.00 H new ATOM 0 HA GLU A 35 12.082 5.793 4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.499 6.200 6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.079 4.500 6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.362 3.951 7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.821 5.638 7.701 1.00 0.00 H new ATOM 580 N ASP A 36 14.634 4.041 5.904 1.00 0.00 N ATOM 581 CA ASP A 36 16.085 4.000 5.974 1.00 0.00 C ATOM 582 C ASP A 36 16.585 2.701 5.340 1.00 0.00 C ATOM 583 O ASP A 36 17.651 2.675 4.727 1.00 0.00 O ATOM 584 CB ASP A 36 16.568 4.035 7.425 1.00 0.00 C ATOM 585 CG ASP A 36 17.272 5.328 7.841 1.00 0.00 C ATOM 586 OD1 ASP A 36 17.533 6.149 6.935 1.00 0.00 O ATOM 587 OD2 ASP A 36 17.533 5.467 9.055 1.00 0.00 O ATOM 0 H ASP A 36 14.167 3.203 6.251 1.00 0.00 H new ATOM 0 HA ASP A 36 16.473 4.870 5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 36 15.712 3.878 8.081 1.00 0.00 H new ATOM 0 HB3 ASP A 36 17.250 3.200 7.585 1.00 0.00 H new ATOM 592 N GLY A 37 15.792 1.653 5.510 1.00 0.00 N ATOM 593 CA GLY A 37 16.141 0.353 4.963 1.00 0.00 C ATOM 594 C GLY A 37 16.524 0.465 3.486 1.00 0.00 C ATOM 595 O GLY A 37 16.534 1.560 2.924 1.00 0.00 O ATOM 0 H GLY A 37 14.909 1.678 6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.972 -0.072 5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 37 15.299 -0.330 5.073 1.00 0.00 H new ATOM 599 N GLU A 38 16.830 -0.682 2.898 1.00 0.00 N ATOM 600 CA GLU A 38 17.213 -0.726 1.497 1.00 0.00 C ATOM 601 C GLU A 38 16.080 -0.190 0.620 1.00 0.00 C ATOM 602 O GLU A 38 16.329 0.469 -0.388 1.00 0.00 O ATOM 603 CB GLU A 38 17.604 -2.146 1.080 1.00 0.00 C ATOM 604 CG GLU A 38 19.111 -2.365 1.228 1.00 0.00 C ATOM 605 CD GLU A 38 19.647 -1.664 2.478 1.00 0.00 C ATOM 606 OE1 GLU A 38 19.319 -2.145 3.584 1.00 0.00 O ATOM 607 OE2 GLU A 38 20.372 -0.662 2.300 1.00 0.00 O ATOM 0 H GLU A 38 16.821 -1.588 3.366 1.00 0.00 H new ATOM 0 HA GLU A 38 18.086 -0.088 1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.066 -2.870 1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.307 -2.320 0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 38 19.323 -3.433 1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 38 19.626 -1.986 0.345 1.00 0.00 H new ATOM 614 N MET A 39 14.859 -0.493 1.036 1.00 0.00 N ATOM 615 CA MET A 39 13.687 -0.049 0.300 1.00 0.00 C ATOM 616 C MET A 39 13.655 1.477 0.187 1.00 0.00 C ATOM 617 O MET A 39 12.899 2.028 -0.611 1.00 0.00 O ATOM 618 CB MET A 39 12.423 -0.535 1.013 1.00 0.00 C ATOM 619 CG MET A 39 12.065 -1.959 0.585 1.00 0.00 C ATOM 620 SD MET A 39 13.487 -3.024 0.760 1.00 0.00 S ATOM 621 CE MET A 39 13.991 -3.151 -0.948 1.00 0.00 C ATOM 0 H MET A 39 14.656 -1.040 1.873 1.00 0.00 H new ATOM 0 HA MET A 39 13.732 -0.468 -0.705 1.00 0.00 H new ATOM 0 HB2 MET A 39 12.575 -0.503 2.092 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.594 0.136 0.788 1.00 0.00 H new ATOM 0 HG2 MET A 39 11.242 -2.334 1.193 1.00 0.00 H new ATOM 0 HG3 MET A 39 11.723 -1.962 -0.450 1.00 0.00 H new ATOM 0 HE1 MET A 39 15.079 -3.186 -1.005 1.00 0.00 H new ATOM 0 HE2 MET A 39 13.576 -4.060 -1.383 1.00 0.00 H new ATOM 0 HE3 MET A 39 13.626 -2.285 -1.500 1.00 0.00 H new ATOM 631 N ALA A 40 14.486 2.115 0.998 1.00 0.00 N ATOM 632 CA ALA A 40 14.563 3.566 0.999 1.00 0.00 C ATOM 633 C ALA A 40 15.314 4.034 -0.249 1.00 0.00 C ATOM 634 O ALA A 40 15.457 5.234 -0.479 1.00 0.00 O ATOM 635 CB ALA A 40 15.227 4.042 2.292 1.00 0.00 C ATOM 0 H ALA A 40 15.112 1.654 1.659 1.00 0.00 H new ATOM 0 HA ALA A 40 13.565 4.003 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 40 15.284 5.130 2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.638 3.710 3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 40 16.232 3.626 2.360 1.00 0.00 H new ATOM 641 N LYS A 41 15.776 3.062 -1.022 1.00 0.00 N ATOM 642 CA LYS A 41 16.509 3.359 -2.240 1.00 0.00 C ATOM 643 C LYS A 41 15.525 3.778 -3.334 1.00 0.00 C ATOM 644 O LYS A 41 15.907 4.442 -4.296 1.00 0.00 O ATOM 645 CB LYS A 41 17.397 2.176 -2.633 1.00 0.00 C ATOM 646 CG LYS A 41 16.567 1.049 -3.252 1.00 0.00 C ATOM 647 CD LYS A 41 17.466 -0.087 -3.745 1.00 0.00 C ATOM 648 CE LYS A 41 17.715 -1.110 -2.636 1.00 0.00 C ATOM 649 NZ LYS A 41 18.230 -2.376 -3.204 1.00 0.00 N ATOM 0 H LYS A 41 15.657 2.068 -0.828 1.00 0.00 H new ATOM 0 HA LYS A 41 17.186 4.198 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.155 2.506 -3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.924 1.804 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 41 15.861 0.665 -2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 41 15.980 1.439 -4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.001 -0.578 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.417 0.320 -4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.430 -0.709 -1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.789 -1.299 -2.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.394 -3.059 -2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.534 -2.765 -3.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.125 -2.194 -3.702 1.00 0.00 H new ATOM 663 N TYR A 42 14.277 3.374 -3.149 1.00 0.00 N ATOM 664 CA TYR A 42 13.234 3.700 -4.107 1.00 0.00 C ATOM 665 C TYR A 42 12.090 4.461 -3.436 1.00 0.00 C ATOM 666 O TYR A 42 10.927 4.082 -3.565 1.00 0.00 O ATOM 667 CB TYR A 42 12.705 2.361 -4.626 1.00 0.00 C ATOM 668 CG TYR A 42 13.605 1.699 -5.672 1.00 0.00 C ATOM 669 CD1 TYR A 42 14.137 2.451 -6.700 1.00 0.00 C ATOM 670 CD2 TYR A 42 13.885 0.351 -5.586 1.00 0.00 C ATOM 671 CE1 TYR A 42 14.984 1.828 -7.684 1.00 0.00 C ATOM 672 CE2 TYR A 42 14.732 -0.272 -6.570 1.00 0.00 C ATOM 673 CZ TYR A 42 15.240 0.497 -7.570 1.00 0.00 C ATOM 674 OH TYR A 42 16.040 -0.092 -8.500 1.00 0.00 O ATOM 0 H TYR A 42 13.964 2.823 -2.349 1.00 0.00 H new ATOM 0 HA TYR A 42 13.629 4.331 -4.903 1.00 0.00 H new ATOM 0 HB2 TYR A 42 12.582 1.680 -3.784 1.00 0.00 H new ATOM 0 HB3 TYR A 42 11.716 2.516 -5.058 1.00 0.00 H new ATOM 0 HD1 TYR A 42 13.918 3.506 -6.766 1.00 0.00 H new ATOM 0 HD2 TYR A 42 13.469 -0.237 -4.781 1.00 0.00 H new ATOM 0 HE1 TYR A 42 15.406 2.404 -8.494 1.00 0.00 H new ATOM 0 HE2 TYR A 42 14.959 -1.326 -6.515 1.00 0.00 H new ATOM 0 HH TYR A 42 16.136 -1.045 -8.292 1.00 0.00 H new ATOM 684 N VAL A 43 12.460 5.521 -2.732 1.00 0.00 N ATOM 685 CA VAL A 43 11.479 6.340 -2.040 1.00 0.00 C ATOM 686 C VAL A 43 11.762 7.816 -2.322 1.00 0.00 C ATOM 687 O VAL A 43 12.901 8.267 -2.205 1.00 0.00 O ATOM 688 CB VAL A 43 11.479 6.006 -0.547 1.00 0.00 C ATOM 689 CG1 VAL A 43 10.583 6.971 0.231 1.00 0.00 C ATOM 690 CG2 VAL A 43 11.057 4.554 -0.310 1.00 0.00 C ATOM 0 H VAL A 43 13.426 5.832 -2.626 1.00 0.00 H new ATOM 0 HA VAL A 43 10.476 6.126 -2.408 1.00 0.00 H new ATOM 0 HB VAL A 43 12.498 6.124 -0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.601 6.711 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.947 7.990 0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.561 6.900 -0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.065 4.343 0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.052 4.398 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.752 3.886 -0.817 1.00 0.00 H new ATOM 700 N GLN A 44 10.707 8.529 -2.690 1.00 0.00 N ATOM 701 CA GLN A 44 10.828 9.945 -2.989 1.00 0.00 C ATOM 702 C GLN A 44 10.265 10.782 -1.839 1.00 0.00 C ATOM 703 O GLN A 44 9.121 11.231 -1.895 1.00 0.00 O ATOM 704 CB GLN A 44 10.132 10.288 -4.308 1.00 0.00 C ATOM 705 CG GLN A 44 10.927 9.755 -5.502 1.00 0.00 C ATOM 706 CD GLN A 44 10.931 10.765 -6.652 1.00 0.00 C ATOM 707 OE1 GLN A 44 11.430 11.873 -6.537 1.00 0.00 O ATOM 708 NE2 GLN A 44 10.350 10.323 -7.763 1.00 0.00 N ATOM 0 H GLN A 44 9.764 8.152 -2.788 1.00 0.00 H new ATOM 0 HA GLN A 44 11.886 10.183 -3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.129 9.862 -4.315 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.020 11.369 -4.394 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.951 9.543 -5.196 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.494 8.814 -5.841 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.952 9.384 -7.792 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.302 10.923 -8.587 1.00 0.00 H new ATOM 717 N GLY A 45 11.094 10.964 -0.821 1.00 0.00 N ATOM 718 CA GLY A 45 10.693 11.739 0.341 1.00 0.00 C ATOM 719 C GLY A 45 9.695 10.960 1.201 1.00 0.00 C ATOM 720 O GLY A 45 10.089 10.115 2.004 1.00 0.00 O ATOM 0 H GLY A 45 12.041 10.588 -0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.571 11.991 0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.245 12.679 0.019 1.00 0.00 H new ATOM 724 N ASP A 46 8.423 11.272 1.003 1.00 0.00 N ATOM 725 CA ASP A 46 7.366 10.613 1.751 1.00 0.00 C ATOM 726 C ASP A 46 6.393 9.951 0.773 1.00 0.00 C ATOM 727 O ASP A 46 5.312 9.515 1.167 1.00 0.00 O ATOM 728 CB ASP A 46 6.578 11.617 2.594 1.00 0.00 C ATOM 729 CG ASP A 46 6.951 11.648 4.078 1.00 0.00 C ATOM 730 OD1 ASP A 46 7.416 10.597 4.568 1.00 0.00 O ATOM 731 OD2 ASP A 46 6.763 12.723 4.688 1.00 0.00 O ATOM 0 H ASP A 46 8.100 11.972 0.335 1.00 0.00 H new ATOM 0 HA ASP A 46 7.827 9.875 2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.725 12.613 2.177 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.516 11.388 2.506 1.00 0.00 H new ATOM 736 N ALA A 47 6.811 9.897 -0.483 1.00 0.00 N ATOM 737 CA ALA A 47 5.990 9.295 -1.520 1.00 0.00 C ATOM 738 C ALA A 47 6.818 8.261 -2.285 1.00 0.00 C ATOM 739 O ALA A 47 7.963 8.524 -2.648 1.00 0.00 O ATOM 740 CB ALA A 47 5.437 10.391 -2.434 1.00 0.00 C ATOM 0 H ALA A 47 7.708 10.260 -0.806 1.00 0.00 H new ATOM 0 HA ALA A 47 5.138 8.775 -1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.821 9.940 -3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.832 11.083 -1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.264 10.932 -2.894 1.00 0.00 H new ATOM 746 N ILE A 48 6.207 7.107 -2.506 1.00 0.00 N ATOM 747 CA ILE A 48 6.873 6.032 -3.221 1.00 0.00 C ATOM 748 C ILE A 48 6.110 5.735 -4.514 1.00 0.00 C ATOM 749 O ILE A 48 4.918 6.019 -4.614 1.00 0.00 O ATOM 750 CB ILE A 48 7.046 4.812 -2.315 1.00 0.00 C ATOM 751 CG1 ILE A 48 7.867 3.724 -3.010 1.00 0.00 C ATOM 752 CG2 ILE A 48 5.690 4.288 -1.835 1.00 0.00 C ATOM 753 CD1 ILE A 48 8.335 2.665 -2.009 1.00 0.00 C ATOM 0 H ILE A 48 5.257 6.893 -2.202 1.00 0.00 H new ATOM 0 HA ILE A 48 7.881 6.333 -3.507 1.00 0.00 H new ATOM 0 HB ILE A 48 7.604 5.120 -1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.267 3.253 -3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.731 4.173 -3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.842 3.421 -1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.176 5.069 -1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.086 4.001 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.916 1.904 -2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.954 3.135 -1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.468 2.201 -1.538 1.00 0.00 H new ATOM 765 N GLY A 49 6.829 5.166 -5.471 1.00 0.00 N ATOM 766 CA GLY A 49 6.235 4.828 -6.753 1.00 0.00 C ATOM 767 C GLY A 49 5.695 3.396 -6.745 1.00 0.00 C ATOM 768 O GLY A 49 5.673 2.742 -5.704 1.00 0.00 O ATOM 0 H GLY A 49 7.818 4.931 -5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.427 5.524 -6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.979 4.936 -7.543 1.00 0.00 H new ATOM 772 N TYR A 50 5.272 2.951 -7.919 1.00 0.00 N ATOM 773 CA TYR A 50 4.734 1.609 -8.061 1.00 0.00 C ATOM 774 C TYR A 50 5.792 0.556 -7.730 1.00 0.00 C ATOM 775 O TYR A 50 5.553 -0.335 -6.916 1.00 0.00 O ATOM 776 CB TYR A 50 4.334 1.468 -9.532 1.00 0.00 C ATOM 777 CG TYR A 50 3.211 0.459 -9.778 1.00 0.00 C ATOM 778 CD1 TYR A 50 1.893 0.856 -9.676 1.00 0.00 C ATOM 779 CD2 TYR A 50 3.516 -0.848 -10.101 1.00 0.00 C ATOM 780 CE1 TYR A 50 0.836 -0.094 -9.908 1.00 0.00 C ATOM 781 CE2 TYR A 50 2.458 -1.797 -10.332 1.00 0.00 C ATOM 782 CZ TYR A 50 1.171 -1.374 -10.224 1.00 0.00 C ATOM 783 OH TYR A 50 0.172 -2.271 -10.443 1.00 0.00 O ATOM 0 H TYR A 50 5.291 3.496 -8.781 1.00 0.00 H new ATOM 0 HA TYR A 50 3.894 1.459 -7.383 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.022 2.442 -9.908 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.209 1.169 -10.109 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.655 1.878 -9.422 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.547 -1.159 -10.180 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.200 0.203 -9.833 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.682 -2.823 -10.586 1.00 0.00 H new ATOM 0 HH TYR A 50 0.559 -3.145 -10.660 1.00 0.00 H new ATOM 793 N GLU A 51 6.940 0.692 -8.377 1.00 0.00 N ATOM 794 CA GLU A 51 8.036 -0.237 -8.161 1.00 0.00 C ATOM 795 C GLU A 51 8.297 -0.411 -6.663 1.00 0.00 C ATOM 796 O GLU A 51 8.575 -1.517 -6.202 1.00 0.00 O ATOM 797 CB GLU A 51 9.300 0.228 -8.887 1.00 0.00 C ATOM 798 CG GLU A 51 9.974 -0.937 -9.614 1.00 0.00 C ATOM 799 CD GLU A 51 10.921 -0.430 -10.704 1.00 0.00 C ATOM 800 OE1 GLU A 51 12.103 -0.199 -10.367 1.00 0.00 O ATOM 801 OE2 GLU A 51 10.442 -0.283 -11.849 1.00 0.00 O ATOM 0 H GLU A 51 7.135 1.432 -9.051 1.00 0.00 H new ATOM 0 HA GLU A 51 7.753 -1.205 -8.576 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.046 1.010 -9.603 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.995 0.665 -8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.529 -1.544 -8.899 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.215 -1.581 -10.058 1.00 0.00 H new ATOM 808 N GLY A 52 8.199 0.699 -5.945 1.00 0.00 N ATOM 809 CA GLY A 52 8.421 0.683 -4.509 1.00 0.00 C ATOM 810 C GLY A 52 7.173 0.202 -3.767 1.00 0.00 C ATOM 811 O GLY A 52 7.275 -0.532 -2.784 1.00 0.00 O ATOM 0 H GLY A 52 7.969 1.615 -6.331 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.262 0.030 -4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.689 1.683 -4.168 1.00 0.00 H new ATOM 815 N PHE A 53 6.024 0.634 -4.265 1.00 0.00 N ATOM 816 CA PHE A 53 4.757 0.257 -3.661 1.00 0.00 C ATOM 817 C PHE A 53 4.512 -1.247 -3.796 1.00 0.00 C ATOM 818 O PHE A 53 4.028 -1.887 -2.864 1.00 0.00 O ATOM 819 CB PHE A 53 3.660 1.010 -4.415 1.00 0.00 C ATOM 820 CG PHE A 53 2.248 0.743 -3.890 1.00 0.00 C ATOM 821 CD1 PHE A 53 1.966 0.929 -2.573 1.00 0.00 C ATOM 822 CD2 PHE A 53 1.275 0.319 -4.741 1.00 0.00 C ATOM 823 CE1 PHE A 53 0.655 0.682 -2.085 1.00 0.00 C ATOM 824 CE2 PHE A 53 -0.035 0.071 -4.253 1.00 0.00 C ATOM 825 CZ PHE A 53 -0.318 0.258 -2.936 1.00 0.00 C ATOM 0 H PHE A 53 5.944 1.242 -5.080 1.00 0.00 H new ATOM 0 HA PHE A 53 4.763 0.503 -2.599 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.862 2.080 -4.357 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.703 0.734 -5.469 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.739 1.265 -1.898 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.499 0.171 -5.787 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.431 0.831 -1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.807 -0.266 -4.928 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.315 0.070 -2.566 1.00 0.00 H new ATOM 835 N GLN A 54 4.858 -1.769 -4.964 1.00 0.00 N ATOM 836 CA GLN A 54 4.682 -3.185 -5.233 1.00 0.00 C ATOM 837 C GLN A 54 5.745 -4.002 -4.495 1.00 0.00 C ATOM 838 O GLN A 54 5.510 -5.155 -4.137 1.00 0.00 O ATOM 839 CB GLN A 54 4.719 -3.467 -6.736 1.00 0.00 C ATOM 840 CG GLN A 54 6.057 -3.038 -7.341 1.00 0.00 C ATOM 841 CD GLN A 54 6.833 -4.247 -7.869 1.00 0.00 C ATOM 842 OE1 GLN A 54 7.034 -5.236 -7.184 1.00 0.00 O ATOM 843 NE2 GLN A 54 7.256 -4.112 -9.123 1.00 0.00 N ATOM 0 H GLN A 54 5.260 -1.235 -5.735 1.00 0.00 H new ATOM 0 HA GLN A 54 3.701 -3.485 -4.865 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.559 -4.530 -6.914 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.905 -2.935 -7.230 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.883 -2.330 -8.152 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.651 -2.520 -6.588 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.053 -3.257 -9.640 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.783 -4.864 -9.567 1.00 0.00 H new ATOM 852 N GLN A 55 6.893 -3.372 -4.290 1.00 0.00 N ATOM 853 CA GLN A 55 7.993 -4.026 -3.602 1.00 0.00 C ATOM 854 C GLN A 55 7.658 -4.209 -2.121 1.00 0.00 C ATOM 855 O GLN A 55 8.090 -5.179 -1.498 1.00 0.00 O ATOM 856 CB GLN A 55 9.294 -3.240 -3.777 1.00 0.00 C ATOM 857 CG GLN A 55 10.268 -3.531 -2.634 1.00 0.00 C ATOM 858 CD GLN A 55 11.662 -2.983 -2.949 1.00 0.00 C ATOM 859 OE1 GLN A 55 12.580 -3.711 -3.291 1.00 0.00 O ATOM 860 NE2 GLN A 55 11.768 -1.664 -2.814 1.00 0.00 N ATOM 0 H GLN A 55 7.085 -2.416 -4.588 1.00 0.00 H new ATOM 0 HA GLN A 55 8.140 -5.011 -4.046 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.756 -3.502 -4.729 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.076 -2.172 -3.811 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.897 -3.083 -1.712 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.326 -4.606 -2.465 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.959 -1.114 -2.524 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.658 -1.202 -3.000 1.00 0.00 H new ATOM 869 N PHE A 56 6.892 -3.263 -1.598 1.00 0.00 N ATOM 870 CA PHE A 56 6.494 -3.308 -0.202 1.00 0.00 C ATOM 871 C PHE A 56 5.760 -4.612 0.118 1.00 0.00 C ATOM 872 O PHE A 56 6.033 -5.250 1.133 1.00 0.00 O ATOM 873 CB PHE A 56 5.545 -2.131 0.031 1.00 0.00 C ATOM 874 CG PHE A 56 4.578 -2.334 1.200 1.00 0.00 C ATOM 875 CD1 PHE A 56 4.972 -2.039 2.467 1.00 0.00 C ATOM 876 CD2 PHE A 56 3.324 -2.809 0.970 1.00 0.00 C ATOM 877 CE1 PHE A 56 4.074 -2.227 3.552 1.00 0.00 C ATOM 878 CE2 PHE A 56 2.426 -2.996 2.054 1.00 0.00 C ATOM 879 CZ PHE A 56 2.820 -2.702 3.322 1.00 0.00 C ATOM 0 H PHE A 56 6.536 -2.460 -2.117 1.00 0.00 H new ATOM 0 HA PHE A 56 7.375 -3.253 0.438 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.135 -1.232 0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.969 -1.956 -0.878 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.967 -1.662 2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.012 -3.044 -0.037 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.387 -1.993 4.559 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.430 -3.372 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.137 -2.846 4.146 1.00 0.00 H new ATOM 889 N LEU A 57 4.841 -4.969 -0.768 1.00 0.00 N ATOM 890 CA LEU A 57 4.065 -6.184 -0.594 1.00 0.00 C ATOM 891 C LEU A 57 5.016 -7.371 -0.423 1.00 0.00 C ATOM 892 O LEU A 57 4.636 -8.400 0.133 1.00 0.00 O ATOM 893 CB LEU A 57 3.070 -6.355 -1.743 1.00 0.00 C ATOM 894 CG LEU A 57 1.860 -5.419 -1.726 1.00 0.00 C ATOM 895 CD1 LEU A 57 1.940 -4.399 -2.865 1.00 0.00 C ATOM 896 CD2 LEU A 57 0.552 -6.213 -1.758 1.00 0.00 C ATOM 0 H LEU A 57 4.617 -4.437 -1.609 1.00 0.00 H new ATOM 0 HA LEU A 57 3.462 -6.124 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.603 -6.211 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.709 -7.384 -1.735 1.00 0.00 H new ATOM 0 HG LEU A 57 1.874 -4.859 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.068 -3.746 -2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.845 -3.802 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.964 -4.922 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.292 -5.524 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.514 -6.816 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.501 -6.866 -0.886 1.00 0.00 H new ATOM 908 N LYS A 58 6.234 -7.187 -0.910 1.00 0.00 N ATOM 909 CA LYS A 58 7.242 -8.230 -0.819 1.00 0.00 C ATOM 910 C LYS A 58 7.647 -8.414 0.645 1.00 0.00 C ATOM 911 O LYS A 58 7.506 -9.504 1.199 1.00 0.00 O ATOM 912 CB LYS A 58 8.419 -7.921 -1.747 1.00 0.00 C ATOM 913 CG LYS A 58 9.224 -9.185 -2.051 1.00 0.00 C ATOM 914 CD LYS A 58 10.576 -8.837 -2.678 1.00 0.00 C ATOM 915 CE LYS A 58 11.261 -10.088 -3.232 1.00 0.00 C ATOM 916 NZ LYS A 58 12.712 -9.850 -3.404 1.00 0.00 N ATOM 0 H LYS A 58 6.546 -6.331 -1.369 1.00 0.00 H new ATOM 0 HA LYS A 58 6.837 -9.182 -1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.050 -7.488 -2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.066 -7.176 -1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.380 -9.751 -1.132 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.659 -9.826 -2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.434 -8.111 -3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.217 -8.367 -1.932 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.102 -10.927 -2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.815 -10.361 -4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.162 -10.708 -3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.858 -9.063 -4.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.136 -9.612 -2.485 1.00 0.00 H new ATOM 930 N ILE A 59 8.142 -7.333 1.231 1.00 0.00 N ATOM 931 CA ILE A 59 8.567 -7.363 2.619 1.00 0.00 C ATOM 932 C ILE A 59 7.335 -7.413 3.525 1.00 0.00 C ATOM 933 O ILE A 59 7.276 -8.218 4.454 1.00 0.00 O ATOM 934 CB ILE A 59 9.502 -6.189 2.918 1.00 0.00 C ATOM 935 CG1 ILE A 59 10.739 -6.230 2.018 1.00 0.00 C ATOM 936 CG2 ILE A 59 9.875 -6.149 4.402 1.00 0.00 C ATOM 937 CD1 ILE A 59 11.390 -4.850 1.918 1.00 0.00 C ATOM 0 H ILE A 59 8.258 -6.431 0.769 1.00 0.00 H new ATOM 0 HA ILE A 59 9.148 -8.263 2.820 1.00 0.00 H new ATOM 0 HB ILE A 59 8.971 -5.264 2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 59 11.458 -6.947 2.414 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.458 -6.576 1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 59 10.540 -5.306 4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.971 -6.037 5.001 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.380 -7.076 4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 59 12.267 -4.907 1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.676 -4.141 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 59 11.692 -4.517 2.911 1.00 0.00 H new ATOM 949 N TYR A 60 6.382 -6.544 3.223 1.00 0.00 N ATOM 950 CA TYR A 60 5.155 -6.479 3.998 1.00 0.00 C ATOM 951 C TYR A 60 4.666 -7.881 4.368 1.00 0.00 C ATOM 952 O TYR A 60 4.660 -8.251 5.541 1.00 0.00 O ATOM 953 CB TYR A 60 4.118 -5.813 3.092 1.00 0.00 C ATOM 954 CG TYR A 60 2.748 -5.625 3.746 1.00 0.00 C ATOM 955 CD1 TYR A 60 2.634 -5.630 5.121 1.00 0.00 C ATOM 956 CD2 TYR A 60 1.626 -5.451 2.961 1.00 0.00 C ATOM 957 CE1 TYR A 60 1.344 -5.454 5.738 1.00 0.00 C ATOM 958 CE2 TYR A 60 0.337 -5.275 3.577 1.00 0.00 C ATOM 959 CZ TYR A 60 0.259 -5.285 4.935 1.00 0.00 C ATOM 960 OH TYR A 60 -0.958 -5.118 5.517 1.00 0.00 O ATOM 0 H TYR A 60 6.435 -5.879 2.452 1.00 0.00 H new ATOM 0 HA TYR A 60 5.315 -5.928 4.925 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.496 -4.840 2.779 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.999 -6.414 2.190 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.512 -5.766 5.735 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.715 -5.447 1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.241 -5.456 6.813 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.549 -5.138 2.974 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.567 -4.685 4.883 1.00 0.00 H new ATOM 970 N LEU A 61 4.266 -8.623 3.345 1.00 0.00 N ATOM 971 CA LEU A 61 3.776 -9.975 3.548 1.00 0.00 C ATOM 972 C LEU A 61 4.960 -10.944 3.568 1.00 0.00 C ATOM 973 O LEU A 61 4.805 -12.112 3.921 1.00 0.00 O ATOM 974 CB LEU A 61 2.714 -10.323 2.503 1.00 0.00 C ATOM 975 CG LEU A 61 1.636 -9.264 2.264 1.00 0.00 C ATOM 976 CD1 LEU A 61 1.638 -8.798 0.807 1.00 0.00 C ATOM 977 CD2 LEU A 61 0.261 -9.773 2.702 1.00 0.00 C ATOM 0 H LEU A 61 4.272 -8.313 2.373 1.00 0.00 H new ATOM 0 HA LEU A 61 3.278 -10.059 4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.216 -10.522 1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.225 -11.249 2.805 1.00 0.00 H new ATOM 0 HG LEU A 61 1.868 -8.395 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.862 -8.046 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.610 -8.368 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.443 -9.648 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.487 -9.001 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.005 -10.666 2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.284 -10.014 3.765 1.00 0.00 H new ATOM 989 N GLU A 62 6.116 -10.424 3.185 1.00 0.00 N ATOM 990 CA GLU A 62 7.326 -11.228 3.154 1.00 0.00 C ATOM 991 C GLU A 62 7.289 -12.197 1.970 1.00 0.00 C ATOM 992 O GLU A 62 8.199 -13.006 1.798 1.00 0.00 O ATOM 993 CB GLU A 62 7.518 -11.981 4.472 1.00 0.00 C ATOM 994 CG GLU A 62 8.834 -11.584 5.143 1.00 0.00 C ATOM 995 CD GLU A 62 8.907 -12.129 6.571 1.00 0.00 C ATOM 996 OE1 GLU A 62 7.891 -11.988 7.285 1.00 0.00 O ATOM 997 OE2 GLU A 62 9.978 -12.674 6.917 1.00 0.00 O ATOM 0 H GLU A 62 6.241 -9.455 2.893 1.00 0.00 H new ATOM 0 HA GLU A 62 8.179 -10.561 3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.685 -11.767 5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.510 -13.055 4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.673 -11.966 4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.925 -10.498 5.159 1.00 0.00 H new ATOM 1004 N VAL A 63 6.228 -12.082 1.185 1.00 0.00 N ATOM 1005 CA VAL A 63 6.061 -12.937 0.023 1.00 0.00 C ATOM 1006 C VAL A 63 7.339 -12.904 -0.818 1.00 0.00 C ATOM 1007 O VAL A 63 8.077 -11.920 -0.794 1.00 0.00 O ATOM 1008 CB VAL A 63 4.818 -12.515 -0.763 1.00 0.00 C ATOM 1009 CG1 VAL A 63 3.552 -13.115 -0.150 1.00 0.00 C ATOM 1010 CG2 VAL A 63 4.716 -10.991 -0.851 1.00 0.00 C ATOM 0 H VAL A 63 5.475 -11.409 1.331 1.00 0.00 H new ATOM 0 HA VAL A 63 5.900 -13.970 0.330 1.00 0.00 H new ATOM 0 HB VAL A 63 4.915 -12.903 -1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.683 -12.799 -0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.621 -14.203 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.448 -12.771 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.824 -10.718 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.653 -10.572 0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.598 -10.596 -1.354 1.00 0.00 H new ATOM 1020 N ASP A 64 7.563 -13.991 -1.541 1.00 0.00 N ATOM 1021 CA ASP A 64 8.739 -14.099 -2.387 1.00 0.00 C ATOM 1022 C ASP A 64 8.441 -13.471 -3.750 1.00 0.00 C ATOM 1023 O ASP A 64 9.347 -13.271 -4.557 1.00 0.00 O ATOM 1024 CB ASP A 64 9.121 -15.563 -2.615 1.00 0.00 C ATOM 1025 CG ASP A 64 10.268 -16.075 -1.740 1.00 0.00 C ATOM 1026 OD1 ASP A 64 10.392 -15.560 -0.608 1.00 0.00 O ATOM 1027 OD2 ASP A 64 10.994 -16.970 -2.224 1.00 0.00 O ATOM 0 H ASP A 64 6.949 -14.806 -1.558 1.00 0.00 H new ATOM 0 HA ASP A 64 9.561 -13.585 -1.889 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.243 -16.184 -2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.396 -15.692 -3.662 1.00 0.00 H new ATOM 1032 N ASN A 65 7.167 -13.176 -3.964 1.00 0.00 N ATOM 1033 CA ASN A 65 6.738 -12.575 -5.215 1.00 0.00 C ATOM 1034 C ASN A 65 5.248 -12.236 -5.129 1.00 0.00 C ATOM 1035 O ASN A 65 4.414 -13.125 -4.968 1.00 0.00 O ATOM 1036 CB ASN A 65 6.936 -13.539 -6.386 1.00 0.00 C ATOM 1037 CG ASN A 65 6.950 -14.991 -5.905 1.00 0.00 C ATOM 1038 OD1 ASN A 65 7.986 -15.567 -5.616 1.00 0.00 O ATOM 1039 ND2 ASN A 65 5.745 -15.550 -5.835 1.00 0.00 N ATOM 0 H ASN A 65 6.418 -13.342 -3.292 1.00 0.00 H new ATOM 0 HA ASN A 65 7.336 -11.679 -5.380 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.137 -13.401 -7.114 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.873 -13.312 -6.894 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.649 -16.517 -5.525 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.917 -15.012 -6.092 1.00 0.00 H new ATOM 1046 N VAL A 66 4.960 -10.947 -5.239 1.00 0.00 N ATOM 1047 CA VAL A 66 3.586 -10.480 -5.176 1.00 0.00 C ATOM 1048 C VAL A 66 3.033 -10.341 -6.595 1.00 0.00 C ATOM 1049 O VAL A 66 3.771 -10.019 -7.525 1.00 0.00 O ATOM 1050 CB VAL A 66 3.513 -9.177 -4.376 1.00 0.00 C ATOM 1051 CG1 VAL A 66 3.209 -7.989 -5.291 1.00 0.00 C ATOM 1052 CG2 VAL A 66 2.481 -9.281 -3.251 1.00 0.00 C ATOM 0 H VAL A 66 5.655 -10.212 -5.371 1.00 0.00 H new ATOM 0 HA VAL A 66 2.960 -11.203 -4.653 1.00 0.00 H new ATOM 0 HB VAL A 66 4.489 -9.008 -3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.162 -7.076 -4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.996 -7.896 -6.040 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.252 -8.148 -5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.449 -8.342 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.498 -9.485 -3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.759 -10.090 -2.576 1.00 0.00 H new ATOM 1062 N PRO A 67 1.703 -10.598 -6.722 1.00 0.00 N ATOM 1063 CA PRO A 67 1.042 -10.506 -8.012 1.00 0.00 C ATOM 1064 C PRO A 67 0.834 -9.046 -8.418 1.00 0.00 C ATOM 1065 O PRO A 67 0.331 -8.245 -7.631 1.00 0.00 O ATOM 1066 CB PRO A 67 -0.262 -11.267 -7.842 1.00 0.00 C ATOM 1067 CG PRO A 67 -0.498 -11.359 -6.343 1.00 0.00 C ATOM 1068 CD PRO A 67 0.797 -10.982 -5.643 1.00 0.00 C ATOM 0 HA PRO A 67 1.635 -10.935 -8.820 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.084 -10.749 -8.336 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.196 -12.259 -8.289 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.304 -10.689 -6.042 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.802 -12.368 -6.066 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.644 -10.161 -4.943 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.196 -11.819 -5.070 1.00 0.00 H new ATOM 1076 N ARG A 68 1.230 -8.744 -9.646 1.00 0.00 N ATOM 1077 CA ARG A 68 1.093 -7.394 -10.165 1.00 0.00 C ATOM 1078 C ARG A 68 -0.383 -6.994 -10.221 1.00 0.00 C ATOM 1079 O ARG A 68 -0.719 -5.823 -10.052 1.00 0.00 O ATOM 1080 CB ARG A 68 1.699 -7.278 -11.566 1.00 0.00 C ATOM 1081 CG ARG A 68 2.014 -5.821 -11.908 1.00 0.00 C ATOM 1082 CD ARG A 68 1.918 -5.579 -13.416 1.00 0.00 C ATOM 1083 NE ARG A 68 3.146 -4.910 -13.901 1.00 0.00 N ATOM 1084 CZ ARG A 68 3.441 -3.623 -13.670 1.00 0.00 C ATOM 1085 NH1 ARG A 68 2.599 -2.859 -12.961 1.00 0.00 N ATOM 1086 NH2 ARG A 68 4.578 -3.101 -14.149 1.00 0.00 N ATOM 0 H ARG A 68 1.646 -9.411 -10.296 1.00 0.00 H new ATOM 0 HA ARG A 68 1.629 -6.724 -9.493 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.610 -7.874 -11.622 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.005 -7.686 -12.301 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.320 -5.163 -11.385 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.016 -5.570 -11.559 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.781 -6.527 -13.937 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.046 -4.964 -13.639 1.00 0.00 H new ATOM 0 HE ARG A 68 3.809 -5.463 -14.445 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.733 -3.257 -12.597 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.824 -1.880 -12.785 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.218 -3.683 -14.689 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.803 -2.122 -13.974 1.00 0.00 H new ATOM 1100 N HIS A 69 -1.224 -7.989 -10.460 1.00 0.00 N ATOM 1101 CA HIS A 69 -2.656 -7.756 -10.541 1.00 0.00 C ATOM 1102 C HIS A 69 -3.135 -7.059 -9.266 1.00 0.00 C ATOM 1103 O HIS A 69 -3.907 -6.104 -9.329 1.00 0.00 O ATOM 1104 CB HIS A 69 -3.404 -9.061 -10.820 1.00 0.00 C ATOM 1105 CG HIS A 69 -2.905 -9.808 -12.033 1.00 0.00 C ATOM 1106 ND1 HIS A 69 -2.842 -9.237 -13.292 1.00 0.00 N ATOM 1107 CD2 HIS A 69 -2.445 -11.086 -12.166 1.00 0.00 C ATOM 1108 CE1 HIS A 69 -2.365 -10.139 -14.137 1.00 0.00 C ATOM 1109 NE2 HIS A 69 -2.120 -11.284 -13.438 1.00 0.00 N ATOM 0 H HIS A 69 -0.941 -8.959 -10.600 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.874 -7.094 -11.379 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.321 -9.709 -9.947 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -4.463 -8.839 -10.953 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -2.360 -11.813 -11.372 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -2.199 -9.993 -15.194 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -1.748 -12.150 -13.828 1.00 0.00 H new ATOM 1117 N LEU A 70 -2.656 -7.563 -8.138 1.00 0.00 N ATOM 1118 CA LEU A 70 -3.026 -7.001 -6.851 1.00 0.00 C ATOM 1119 C LEU A 70 -2.424 -5.600 -6.719 1.00 0.00 C ATOM 1120 O LEU A 70 -3.111 -4.661 -6.319 1.00 0.00 O ATOM 1121 CB LEU A 70 -2.628 -7.949 -5.718 1.00 0.00 C ATOM 1122 CG LEU A 70 -2.387 -7.300 -4.353 1.00 0.00 C ATOM 1123 CD1 LEU A 70 -3.706 -7.077 -3.611 1.00 0.00 C ATOM 1124 CD2 LEU A 70 -1.394 -8.118 -3.525 1.00 0.00 C ATOM 0 H LEU A 70 -2.015 -8.355 -8.089 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.108 -6.892 -6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.410 -8.700 -5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.720 -8.475 -6.013 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.940 -6.319 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.506 -6.615 -2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.349 -6.423 -4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.204 -8.034 -3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.240 -7.635 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.790 -9.122 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.443 -8.181 -4.055 1.00 0.00 H new ATOM 1136 N SER A 71 -1.149 -5.503 -7.065 1.00 0.00 N ATOM 1137 CA SER A 71 -0.448 -4.233 -6.991 1.00 0.00 C ATOM 1138 C SER A 71 -1.175 -3.184 -7.833 1.00 0.00 C ATOM 1139 O SER A 71 -1.089 -1.989 -7.554 1.00 0.00 O ATOM 1140 CB SER A 71 1.002 -4.376 -7.457 1.00 0.00 C ATOM 1141 OG SER A 71 1.930 -4.069 -6.420 1.00 0.00 O ATOM 0 H SER A 71 -0.583 -6.284 -7.397 1.00 0.00 H new ATOM 0 HA SER A 71 -0.436 -3.909 -5.950 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.172 -5.395 -7.805 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.176 -3.716 -8.306 1.00 0.00 H new ATOM 0 HG SER A 71 2.379 -4.890 -6.129 1.00 0.00 H new ATOM 1147 N LEU A 72 -1.876 -3.668 -8.848 1.00 0.00 N ATOM 1148 CA LEU A 72 -2.618 -2.787 -9.734 1.00 0.00 C ATOM 1149 C LEU A 72 -3.839 -2.238 -8.994 1.00 0.00 C ATOM 1150 O LEU A 72 -4.085 -1.033 -9.002 1.00 0.00 O ATOM 1151 CB LEU A 72 -2.962 -3.506 -11.040 1.00 0.00 C ATOM 1152 CG LEU A 72 -4.127 -2.920 -11.840 1.00 0.00 C ATOM 1153 CD1 LEU A 72 -3.736 -1.589 -12.484 1.00 0.00 C ATOM 1154 CD2 LEU A 72 -4.643 -3.926 -12.872 1.00 0.00 C ATOM 0 H LEU A 72 -1.946 -4.660 -9.077 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.007 -1.931 -10.020 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.076 -3.509 -11.675 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.192 -4.546 -10.810 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.946 -2.715 -11.151 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.582 -1.194 -13.047 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.453 -0.878 -11.707 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.893 -1.744 -13.158 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.471 -3.485 -13.427 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.840 -4.184 -13.562 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.987 -4.826 -12.362 1.00 0.00 H new ATOM 1166 N ALA A 73 -4.573 -3.149 -8.371 1.00 0.00 N ATOM 1167 CA ALA A 73 -5.763 -2.771 -7.627 1.00 0.00 C ATOM 1168 C ALA A 73 -5.350 -2.025 -6.357 1.00 0.00 C ATOM 1169 O ALA A 73 -6.070 -1.146 -5.887 1.00 0.00 O ATOM 1170 CB ALA A 73 -6.594 -4.020 -7.326 1.00 0.00 C ATOM 0 H ALA A 73 -4.367 -4.148 -8.366 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.387 -2.098 -8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.487 -3.737 -6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.887 -4.497 -8.262 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.001 -4.717 -6.734 1.00 0.00 H new ATOM 1176 N LEU A 74 -4.191 -2.403 -5.838 1.00 0.00 N ATOM 1177 CA LEU A 74 -3.673 -1.781 -4.631 1.00 0.00 C ATOM 1178 C LEU A 74 -3.454 -0.288 -4.886 1.00 0.00 C ATOM 1179 O LEU A 74 -3.750 0.542 -4.028 1.00 0.00 O ATOM 1180 CB LEU A 74 -2.420 -2.512 -4.146 1.00 0.00 C ATOM 1181 CG LEU A 74 -2.643 -3.599 -3.093 1.00 0.00 C ATOM 1182 CD1 LEU A 74 -1.416 -4.504 -2.970 1.00 0.00 C ATOM 1183 CD2 LEU A 74 -3.040 -2.987 -1.748 1.00 0.00 C ATOM 0 H LEU A 74 -3.596 -3.132 -6.231 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.396 -1.864 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.931 -2.964 -5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.729 -1.775 -3.738 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.473 -4.225 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.601 -5.268 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.219 -4.983 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.552 -3.907 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.192 -3.782 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.248 -2.323 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.963 -2.420 -1.865 1.00 0.00 H new ATOM 1195 N PHE A 75 -2.937 0.008 -6.069 1.00 0.00 N ATOM 1196 CA PHE A 75 -2.675 1.386 -6.448 1.00 0.00 C ATOM 1197 C PHE A 75 -3.976 2.122 -6.775 1.00 0.00 C ATOM 1198 O PHE A 75 -4.157 3.274 -6.385 1.00 0.00 O ATOM 1199 CB PHE A 75 -1.797 1.347 -7.700 1.00 0.00 C ATOM 1200 CG PHE A 75 -1.494 2.725 -8.292 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -0.643 3.569 -7.649 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -2.077 3.106 -9.460 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -0.363 4.848 -8.199 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -1.797 4.385 -10.009 1.00 0.00 C ATOM 1205 CZ PHE A 75 -0.946 5.229 -9.367 1.00 0.00 C ATOM 0 H PHE A 75 -2.692 -0.683 -6.778 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.188 1.911 -5.626 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.856 0.853 -7.456 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.290 0.738 -8.458 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.181 3.267 -6.721 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.753 2.436 -9.970 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.313 5.518 -7.689 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.260 4.688 -10.937 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.733 6.202 -9.785 1.00 0.00 H new ATOM 1215 N GLN A 76 -4.849 1.425 -7.488 1.00 0.00 N ATOM 1216 CA GLN A 76 -6.128 1.998 -7.872 1.00 0.00 C ATOM 1217 C GLN A 76 -6.915 2.419 -6.630 1.00 0.00 C ATOM 1218 O GLN A 76 -7.661 3.398 -6.665 1.00 0.00 O ATOM 1219 CB GLN A 76 -6.934 1.016 -8.725 1.00 0.00 C ATOM 1220 CG GLN A 76 -6.671 1.240 -10.215 1.00 0.00 C ATOM 1221 CD GLN A 76 -7.887 0.841 -11.053 1.00 0.00 C ATOM 1222 OE1 GLN A 76 -8.610 1.671 -11.580 1.00 0.00 O ATOM 1223 NE2 GLN A 76 -8.072 -0.473 -11.147 1.00 0.00 N ATOM 0 H GLN A 76 -4.696 0.469 -7.810 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.940 2.885 -8.477 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.670 -0.007 -8.455 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.997 1.136 -8.518 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.431 2.289 -10.392 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.804 0.658 -10.526 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.429 -1.113 -10.681 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.857 -0.840 -11.685 1.00 0.00 H new ATOM 1232 N SER A 77 -6.723 1.661 -5.561 1.00 0.00 N ATOM 1233 CA SER A 77 -7.406 1.943 -4.310 1.00 0.00 C ATOM 1234 C SER A 77 -7.193 3.407 -3.916 1.00 0.00 C ATOM 1235 O SER A 77 -8.054 4.251 -4.162 1.00 0.00 O ATOM 1236 CB SER A 77 -6.918 1.018 -3.194 1.00 0.00 C ATOM 1237 OG SER A 77 -7.436 1.396 -1.921 1.00 0.00 O ATOM 0 H SER A 77 -6.104 0.851 -5.535 1.00 0.00 H new ATOM 0 HA SER A 77 -8.471 1.762 -4.455 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.216 -0.007 -3.417 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.829 1.033 -3.161 1.00 0.00 H new ATOM 0 HG SER A 77 -7.162 0.738 -1.248 1.00 0.00 H new ATOM 1243 N PHE A 78 -6.042 3.662 -3.313 1.00 0.00 N ATOM 1244 CA PHE A 78 -5.705 5.009 -2.883 1.00 0.00 C ATOM 1245 C PHE A 78 -4.985 5.775 -3.995 1.00 0.00 C ATOM 1246 O PHE A 78 -4.588 5.189 -5.001 1.00 0.00 O ATOM 1247 CB PHE A 78 -4.766 4.874 -1.683 1.00 0.00 C ATOM 1248 CG PHE A 78 -4.591 6.165 -0.881 1.00 0.00 C ATOM 1249 CD1 PHE A 78 -5.673 6.773 -0.326 1.00 0.00 C ATOM 1250 CD2 PHE A 78 -3.353 6.706 -0.725 1.00 0.00 C ATOM 1251 CE1 PHE A 78 -5.511 7.972 0.418 1.00 0.00 C ATOM 1252 CE2 PHE A 78 -3.190 7.904 0.019 1.00 0.00 C ATOM 1253 CZ PHE A 78 -4.272 8.512 0.575 1.00 0.00 C ATOM 0 H PHE A 78 -5.331 2.959 -3.112 1.00 0.00 H new ATOM 0 HA PHE A 78 -6.613 5.557 -2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.148 4.097 -1.021 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.789 4.542 -2.035 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.656 6.344 -0.451 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.494 6.224 -1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.371 8.455 0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.207 8.333 0.143 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.148 9.423 1.141 1.00 0.00 H new ATOM 1263 N GLU A 79 -4.839 7.074 -3.776 1.00 0.00 N ATOM 1264 CA GLU A 79 -4.173 7.926 -4.746 1.00 0.00 C ATOM 1265 C GLU A 79 -4.079 9.359 -4.218 1.00 0.00 C ATOM 1266 O GLU A 79 -4.964 9.818 -3.498 1.00 0.00 O ATOM 1267 CB GLU A 79 -4.893 7.885 -6.096 1.00 0.00 C ATOM 1268 CG GLU A 79 -4.033 8.513 -7.195 1.00 0.00 C ATOM 1269 CD GLU A 79 -4.888 8.912 -8.399 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -5.537 8.003 -8.961 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -4.874 10.117 -8.732 1.00 0.00 O ATOM 0 H GLU A 79 -5.171 7.557 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.162 7.549 -4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.126 6.853 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.841 8.417 -6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.519 9.390 -6.803 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.264 7.807 -7.508 1.00 0.00 H new ATOM 1455 N ASP A 92 4.614 9.365 -10.646 1.00 0.00 N ATOM 1456 CA ASP A 92 3.518 8.681 -9.982 1.00 0.00 C ATOM 1457 C ASP A 92 4.004 8.131 -8.640 1.00 0.00 C ATOM 1458 O ASP A 92 4.890 7.279 -8.598 1.00 0.00 O ATOM 1459 CB ASP A 92 3.015 7.504 -10.820 1.00 0.00 C ATOM 1460 CG ASP A 92 4.111 6.655 -11.467 1.00 0.00 C ATOM 1461 OD1 ASP A 92 4.673 5.806 -10.743 1.00 0.00 O ATOM 1462 OD2 ASP A 92 4.363 6.875 -12.672 1.00 0.00 O ATOM 0 HA ASP A 92 2.708 9.398 -9.843 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.405 6.861 -10.186 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.364 7.889 -11.605 1.00 0.00 H new ATOM 1467 N VAL A 93 3.404 8.641 -7.575 1.00 0.00 N ATOM 1468 CA VAL A 93 3.764 8.212 -6.234 1.00 0.00 C ATOM 1469 C VAL A 93 2.512 8.193 -5.355 1.00 0.00 C ATOM 1470 O VAL A 93 1.453 8.662 -5.768 1.00 0.00 O ATOM 1471 CB VAL A 93 4.871 9.110 -5.678 1.00 0.00 C ATOM 1472 CG1 VAL A 93 6.216 8.793 -6.335 1.00 0.00 C ATOM 1473 CG2 VAL A 93 4.514 10.588 -5.845 1.00 0.00 C ATOM 0 H VAL A 93 2.670 9.348 -7.613 1.00 0.00 H new ATOM 0 HA VAL A 93 4.163 7.198 -6.252 1.00 0.00 H new ATOM 0 HB VAL A 93 4.963 8.906 -4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.985 9.445 -5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.479 7.753 -6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.143 8.954 -7.410 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.318 11.204 -5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.381 10.813 -6.903 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.589 10.802 -5.309 1.00 0.00 H new ATOM 1483 N VAL A 94 2.676 7.645 -4.160 1.00 0.00 N ATOM 1484 CA VAL A 94 1.572 7.558 -3.219 1.00 0.00 C ATOM 1485 C VAL A 94 2.115 7.647 -1.792 1.00 0.00 C ATOM 1486 O VAL A 94 3.272 7.310 -1.542 1.00 0.00 O ATOM 1487 CB VAL A 94 0.767 6.281 -3.474 1.00 0.00 C ATOM 1488 CG1 VAL A 94 1.685 5.060 -3.545 1.00 0.00 C ATOM 1489 CG2 VAL A 94 -0.314 6.093 -2.408 1.00 0.00 C ATOM 0 H VAL A 94 3.557 7.257 -3.822 1.00 0.00 H new ATOM 0 HA VAL A 94 0.885 8.393 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 94 0.271 6.384 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.088 4.166 -3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.401 5.190 -4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 94 2.221 4.953 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.871 5.179 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.152 6.022 -1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.994 6.944 -2.426 1.00 0.00 H new ATOM 1499 N CYS A 95 1.256 8.103 -0.893 1.00 0.00 N ATOM 1500 CA CYS A 95 1.635 8.241 0.503 1.00 0.00 C ATOM 1501 C CYS A 95 1.669 6.847 1.132 1.00 0.00 C ATOM 1502 O CYS A 95 0.760 6.045 0.922 1.00 0.00 O ATOM 1503 CB CYS A 95 0.693 9.184 1.254 1.00 0.00 C ATOM 1504 SG CYS A 95 1.073 10.922 0.826 1.00 0.00 S ATOM 0 H CYS A 95 0.298 8.382 -1.104 1.00 0.00 H new ATOM 0 HA CYS A 95 2.625 8.693 0.571 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.342 8.956 0.999 1.00 0.00 H new ATOM 0 HB3 CYS A 95 0.797 9.035 2.329 1.00 0.00 H new ATOM 0 HG CYS A 95 0.266 11.713 1.468 1.00 0.00 H new ATOM 1510 N LEU A 96 2.727 6.601 1.890 1.00 0.00 N ATOM 1511 CA LEU A 96 2.892 5.317 2.551 1.00 0.00 C ATOM 1512 C LEU A 96 2.073 5.305 3.844 1.00 0.00 C ATOM 1513 O LEU A 96 1.334 4.358 4.105 1.00 0.00 O ATOM 1514 CB LEU A 96 4.376 5.008 2.760 1.00 0.00 C ATOM 1515 CG LEU A 96 5.200 4.789 1.489 1.00 0.00 C ATOM 1516 CD1 LEU A 96 6.420 5.713 1.461 1.00 0.00 C ATOM 1517 CD2 LEU A 96 5.592 3.318 1.337 1.00 0.00 C ATOM 0 H LEU A 96 3.479 7.269 2.061 1.00 0.00 H new ATOM 0 HA LEU A 96 2.509 4.513 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.822 5.829 3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.457 4.116 3.380 1.00 0.00 H new ATOM 0 HG LEU A 96 4.580 5.048 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.989 5.537 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.091 6.752 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.051 5.509 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.177 3.190 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.187 3.009 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.692 2.706 1.280 1.00 0.00 H new ATOM 1529 N ASN A 97 2.234 6.368 4.618 1.00 0.00 N ATOM 1530 CA ASN A 97 1.519 6.492 5.877 1.00 0.00 C ATOM 1531 C ASN A 97 0.024 6.280 5.632 1.00 0.00 C ATOM 1532 O ASN A 97 -0.657 5.647 6.438 1.00 0.00 O ATOM 1533 CB ASN A 97 1.706 7.885 6.482 1.00 0.00 C ATOM 1534 CG ASN A 97 3.067 8.005 7.171 1.00 0.00 C ATOM 1535 OD1 ASN A 97 3.269 7.555 8.287 1.00 0.00 O ATOM 1536 ND2 ASN A 97 3.987 8.636 6.446 1.00 0.00 N ATOM 0 H ASN A 97 2.849 7.151 4.398 1.00 0.00 H new ATOM 0 HA ASN A 97 1.914 5.744 6.564 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.623 8.639 5.700 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.911 8.083 7.201 1.00 0.00 H new ATOM 0 HD21 ASN A 97 4.928 8.767 6.818 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.752 8.988 5.518 1.00 0.00 H new ATOM 1543 N ASP A 98 -0.444 6.821 4.517 1.00 0.00 N ATOM 1544 CA ASP A 98 -1.846 6.699 4.156 1.00 0.00 C ATOM 1545 C ASP A 98 -2.167 5.232 3.863 1.00 0.00 C ATOM 1546 O ASP A 98 -3.239 4.745 4.219 1.00 0.00 O ATOM 1547 CB ASP A 98 -2.165 7.513 2.900 1.00 0.00 C ATOM 1548 CG ASP A 98 -2.489 8.987 3.150 1.00 0.00 C ATOM 1549 OD1 ASP A 98 -3.295 9.243 4.070 1.00 0.00 O ATOM 1550 OD2 ASP A 98 -1.922 9.825 2.415 1.00 0.00 O ATOM 0 H ASP A 98 0.123 7.345 3.851 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.442 7.073 4.989 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.314 7.454 2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.012 7.052 2.392 1.00 0.00 H new ATOM 1555 N VAL A 99 -1.218 4.570 3.218 1.00 0.00 N ATOM 1556 CA VAL A 99 -1.387 3.168 2.873 1.00 0.00 C ATOM 1557 C VAL A 99 -1.274 2.319 4.140 1.00 0.00 C ATOM 1558 O VAL A 99 -1.988 1.329 4.294 1.00 0.00 O ATOM 1559 CB VAL A 99 -0.377 2.770 1.794 1.00 0.00 C ATOM 1560 CG1 VAL A 99 -0.514 1.289 1.436 1.00 0.00 C ATOM 1561 CG2 VAL A 99 -0.525 3.651 0.553 1.00 0.00 C ATOM 0 H VAL A 99 -0.330 4.978 2.925 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.377 2.994 2.453 1.00 0.00 H new ATOM 0 HB VAL A 99 0.624 2.926 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.215 1.032 0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.335 0.682 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.519 1.097 1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.204 3.347 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.531 3.542 0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.354 4.693 0.824 1.00 0.00 H new ATOM 1571 N SER A 100 -0.371 2.736 5.016 1.00 0.00 N ATOM 1572 CA SER A 100 -0.155 2.026 6.265 1.00 0.00 C ATOM 1573 C SER A 100 -1.459 1.966 7.065 1.00 0.00 C ATOM 1574 O SER A 100 -1.679 1.028 7.829 1.00 0.00 O ATOM 1575 CB SER A 100 0.946 2.690 7.094 1.00 0.00 C ATOM 1576 OG SER A 100 0.560 2.860 8.455 1.00 0.00 O ATOM 0 H SER A 100 0.220 3.557 4.885 1.00 0.00 H new ATOM 0 HA SER A 100 0.167 1.012 6.030 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.851 2.084 7.047 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.190 3.661 6.662 1.00 0.00 H new ATOM 0 HG SER A 100 1.290 3.285 8.951 1.00 0.00 H new ATOM 1582 N CYS A 101 -2.288 2.979 6.861 1.00 0.00 N ATOM 1583 CA CYS A 101 -3.563 3.054 7.553 1.00 0.00 C ATOM 1584 C CYS A 101 -4.489 1.984 6.970 1.00 0.00 C ATOM 1585 O CYS A 101 -5.136 1.247 7.712 1.00 0.00 O ATOM 1586 CB CYS A 101 -4.176 4.452 7.460 1.00 0.00 C ATOM 1587 SG CYS A 101 -5.265 4.755 8.900 1.00 0.00 S ATOM 0 H CYS A 101 -2.101 3.755 6.226 1.00 0.00 H new ATOM 0 HA CYS A 101 -3.415 2.865 8.616 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -3.386 5.203 7.426 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -4.746 4.547 6.536 1.00 0.00 H new ATOM 0 HG CYS A 101 -5.779 5.946 8.813 1.00 0.00 H new ATOM 1593 N TYR A 102 -4.524 1.935 5.646 1.00 0.00 N ATOM 1594 CA TYR A 102 -5.360 0.968 4.955 1.00 0.00 C ATOM 1595 C TYR A 102 -5.036 -0.458 5.404 1.00 0.00 C ATOM 1596 O TYR A 102 -5.936 -1.229 5.732 1.00 0.00 O ATOM 1597 CB TYR A 102 -5.028 1.110 3.469 1.00 0.00 C ATOM 1598 CG TYR A 102 -6.005 0.385 2.541 1.00 0.00 C ATOM 1599 CD1 TYR A 102 -7.358 0.412 2.807 1.00 0.00 C ATOM 1600 CD2 TYR A 102 -5.532 -0.297 1.438 1.00 0.00 C ATOM 1601 CE1 TYR A 102 -8.278 -0.271 1.934 1.00 0.00 C ATOM 1602 CE2 TYR A 102 -6.451 -0.980 0.565 1.00 0.00 C ATOM 1603 CZ TYR A 102 -7.778 -0.933 0.856 1.00 0.00 C ATOM 1604 OH TYR A 102 -8.646 -1.578 0.031 1.00 0.00 O ATOM 0 H TYR A 102 -3.987 2.549 5.034 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.413 1.150 5.168 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -5.014 2.169 3.210 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.023 0.726 3.293 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -7.728 0.945 3.670 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.472 -0.318 1.230 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.340 -0.258 2.131 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.094 -1.517 -0.301 1.00 0.00 H new ATOM 0 HH TYR A 102 -8.149 -2.006 -0.697 1.00 0.00 H new ATOM 1614 N PHE A 103 -3.747 -0.765 5.404 1.00 0.00 N ATOM 1615 CA PHE A 103 -3.292 -2.085 5.808 1.00 0.00 C ATOM 1616 C PHE A 103 -3.584 -2.337 7.288 1.00 0.00 C ATOM 1617 O PHE A 103 -3.929 -3.452 7.676 1.00 0.00 O ATOM 1618 CB PHE A 103 -1.779 -2.125 5.584 1.00 0.00 C ATOM 1619 CG PHE A 103 -1.369 -2.182 4.112 1.00 0.00 C ATOM 1620 CD1 PHE A 103 -2.049 -2.982 3.247 1.00 0.00 C ATOM 1621 CD2 PHE A 103 -0.324 -1.434 3.667 1.00 0.00 C ATOM 1622 CE1 PHE A 103 -1.668 -3.035 1.880 1.00 0.00 C ATOM 1623 CE2 PHE A 103 0.057 -1.487 2.300 1.00 0.00 C ATOM 1624 CZ PHE A 103 -0.623 -2.287 1.436 1.00 0.00 C ATOM 0 H PHE A 103 -3.003 -0.123 5.131 1.00 0.00 H new ATOM 0 HA PHE A 103 -3.809 -2.850 5.229 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -1.331 -1.243 6.041 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -1.369 -2.994 6.099 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -2.879 -3.577 3.600 1.00 0.00 H new ATOM 0 HD2 PHE A 103 0.216 -0.799 4.354 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.208 -3.669 1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 103 0.886 -0.892 1.947 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.333 -2.328 0.397 1.00 0.00 H new ATOM 1634 N SER A 104 -3.435 -1.282 8.076 1.00 0.00 N ATOM 1635 CA SER A 104 -3.679 -1.374 9.505 1.00 0.00 C ATOM 1636 C SER A 104 -5.119 -1.820 9.763 1.00 0.00 C ATOM 1637 O SER A 104 -5.380 -2.584 10.691 1.00 0.00 O ATOM 1638 CB SER A 104 -3.404 -0.038 10.198 1.00 0.00 C ATOM 1639 OG SER A 104 -3.264 -0.187 11.608 1.00 0.00 O ATOM 0 H SER A 104 -3.148 -0.359 7.751 1.00 0.00 H new ATOM 0 HA SER A 104 -2.997 -2.115 9.921 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.495 0.403 9.788 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.218 0.655 9.986 1.00 0.00 H new ATOM 0 HG SER A 104 -3.088 0.688 12.013 1.00 0.00 H new ATOM 1645 N LEU A 105 -6.017 -1.324 8.925 1.00 0.00 N ATOM 1646 CA LEU A 105 -7.425 -1.662 9.050 1.00 0.00 C ATOM 1647 C LEU A 105 -7.641 -3.106 8.593 1.00 0.00 C ATOM 1648 O LEU A 105 -8.478 -3.817 9.147 1.00 0.00 O ATOM 1649 CB LEU A 105 -8.289 -0.644 8.303 1.00 0.00 C ATOM 1650 CG LEU A 105 -9.216 0.212 9.167 1.00 0.00 C ATOM 1651 CD1 LEU A 105 -8.717 1.656 9.243 1.00 0.00 C ATOM 1652 CD2 LEU A 105 -10.661 0.131 8.669 1.00 0.00 C ATOM 0 H LEU A 105 -5.797 -0.690 8.156 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.739 -1.607 10.092 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.630 0.020 7.743 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.897 -1.179 7.573 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.202 -0.188 10.181 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.394 2.243 9.863 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.718 1.673 9.679 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -8.682 2.082 8.240 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -11.299 0.749 9.301 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -10.712 0.490 7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -11.002 -0.903 8.710 1.00 0.00 H new ATOM 1664 N LEU A 106 -6.872 -3.496 7.587 1.00 0.00 N ATOM 1665 CA LEU A 106 -6.969 -4.842 7.050 1.00 0.00 C ATOM 1666 C LEU A 106 -6.722 -5.853 8.171 1.00 0.00 C ATOM 1667 O LEU A 106 -7.624 -6.600 8.548 1.00 0.00 O ATOM 1668 CB LEU A 106 -6.032 -5.010 5.852 1.00 0.00 C ATOM 1669 CG LEU A 106 -6.704 -5.101 4.481 1.00 0.00 C ATOM 1670 CD1 LEU A 106 -6.854 -3.715 3.851 1.00 0.00 C ATOM 1671 CD2 LEU A 106 -5.953 -6.069 3.565 1.00 0.00 C ATOM 0 H LEU A 106 -6.179 -2.903 7.130 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.973 -5.028 6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.338 -4.170 5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.439 -5.912 6.004 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.708 -5.502 4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.335 -3.808 2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.465 -3.085 4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.870 -3.263 3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.452 -6.115 2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.929 -5.721 3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.942 -7.062 4.015 1.00 0.00 H new ATOM 1683 N GLU A 107 -5.496 -5.845 8.672 1.00 0.00 N ATOM 1684 CA GLU A 107 -5.119 -6.752 9.742 1.00 0.00 C ATOM 1685 C GLU A 107 -5.927 -6.449 11.005 1.00 0.00 C ATOM 1686 O GLU A 107 -6.254 -7.355 11.770 1.00 0.00 O ATOM 1687 CB GLU A 107 -3.616 -6.676 10.022 1.00 0.00 C ATOM 1688 CG GLU A 107 -3.199 -5.251 10.390 1.00 0.00 C ATOM 1689 CD GLU A 107 -1.784 -5.227 10.973 1.00 0.00 C ATOM 1690 OE1 GLU A 107 -0.857 -5.609 10.227 1.00 0.00 O ATOM 1691 OE2 GLU A 107 -1.662 -4.827 12.151 1.00 0.00 O ATOM 0 H GLU A 107 -4.751 -5.224 8.357 1.00 0.00 H new ATOM 0 HA GLU A 107 -5.346 -7.770 9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -3.359 -7.355 10.835 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -3.062 -7.006 9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.243 -4.616 9.505 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.902 -4.838 11.114 1.00 0.00 H new