USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 602 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.4 K(o=-0.4,f=-1.2) USER MOD Single : A 9 LYS NZ :NH3+ 155:sc= -0.325 (180deg=-1.27!) USER MOD Single : A 13 THR OG1 : rot 56:sc= 1.99 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0387 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -109:sc= 0.828 (180deg=-0.255) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl -152:sc= -0.473 (180deg=-2.03!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0938 USER MOD Single : A 59 SER OG : rot 180:sc=0.000634 USER MOD Single : A 62 THR OG1 : rot 104:sc= 0.0852 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -129:sc= -0.911 (180deg=-2.35!) USER MOD Single : A 65 MET CE :methyl -121:sc= -0.0772 (180deg=-1.45) USER MOD Single : A 68 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.073) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 161:sc= -0.0478 (180deg=-0.518) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -1.33 K(o=-1.3,f=-3!) USER MOD Single : A 82 THR OG1 : rot -139:sc= 0.00817 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 6 11.119 11.285 -7.004 1.00 0.00 N ATOM 75 CA LYS A 6 10.691 9.895 -7.111 1.00 0.00 C ATOM 76 C LYS A 6 10.811 9.186 -5.766 1.00 0.00 C ATOM 77 O LYS A 6 11.738 9.442 -4.998 1.00 0.00 O ATOM 78 CB LYS A 6 11.525 9.162 -8.164 1.00 0.00 C ATOM 79 CG LYS A 6 10.912 9.195 -9.555 1.00 0.00 C ATOM 80 CD LYS A 6 10.094 7.943 -9.836 1.00 0.00 C ATOM 81 CE LYS A 6 8.667 8.284 -10.236 1.00 0.00 C ATOM 82 NZ LYS A 6 8.472 8.223 -11.711 1.00 0.00 N ATOM 0 HA LYS A 6 9.645 9.884 -7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.519 9.608 -8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.653 8.124 -7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.276 10.075 -9.652 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.703 9.289 -10.300 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.568 7.369 -10.632 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.082 7.309 -8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.979 7.592 -9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.419 9.283 -9.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.486 8.462 -11.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.110 8.902 -12.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.683 7.263 -12.050 1.00 0.00 H new ATOM 96 N LEU A 7 9.867 8.293 -5.488 1.00 0.00 N ATOM 97 CA LEU A 7 9.868 7.546 -4.235 1.00 0.00 C ATOM 98 C LEU A 7 10.832 6.365 -4.307 1.00 0.00 C ATOM 99 O LEU A 7 10.937 5.700 -5.338 1.00 0.00 O ATOM 100 CB LEU A 7 8.455 7.053 -3.912 1.00 0.00 C ATOM 101 CG LEU A 7 7.896 7.521 -2.567 1.00 0.00 C ATOM 102 CD1 LEU A 7 8.717 6.950 -1.421 1.00 0.00 C ATOM 103 CD2 LEU A 7 7.873 9.041 -2.502 1.00 0.00 C ATOM 0 H LEU A 7 9.092 8.069 -6.112 1.00 0.00 H new ATOM 0 HA LEU A 7 10.202 8.213 -3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.782 7.384 -4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.455 5.963 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 7 6.873 7.156 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.305 7.293 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.685 5.861 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.750 7.286 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.473 9.358 -1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.886 9.426 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.243 9.430 -3.302 1.00 0.00 H new ATOM 115 N HIS A 8 11.530 6.111 -3.206 1.00 0.00 N ATOM 116 CA HIS A 8 12.482 5.008 -3.143 1.00 0.00 C ATOM 117 C HIS A 8 11.823 3.754 -2.579 1.00 0.00 C ATOM 118 O HIS A 8 10.797 3.832 -1.903 1.00 0.00 O ATOM 119 CB HIS A 8 13.689 5.395 -2.287 1.00 0.00 C ATOM 120 CG HIS A 8 14.831 4.432 -2.397 1.00 0.00 C ATOM 121 ND1 HIS A 8 14.996 3.360 -1.546 1.00 0.00 N ATOM 122 CD2 HIS A 8 15.866 4.383 -3.268 1.00 0.00 C ATOM 123 CE1 HIS A 8 16.084 2.693 -1.887 1.00 0.00 C ATOM 124 NE2 HIS A 8 16.628 3.292 -2.930 1.00 0.00 N ATOM 0 H HIS A 8 11.455 6.653 -2.345 1.00 0.00 H new ATOM 0 HA HIS A 8 12.820 4.794 -4.157 1.00 0.00 H new ATOM 0 HB2 HIS A 8 14.031 6.387 -2.582 1.00 0.00 H new ATOM 0 HB3 HIS A 8 13.379 5.461 -1.244 1.00 0.00 H new ATOM 0 HD2 HIS A 8 16.057 5.073 -4.077 1.00 0.00 H new ATOM 0 HE1 HIS A 8 16.464 1.809 -1.396 1.00 0.00 H new ATOM 0 HE2 HIS A 8 17.478 2.992 -3.408 1.00 0.00 H new ATOM 133 N LYS A 9 12.419 2.601 -2.861 1.00 0.00 N ATOM 134 CA LYS A 9 11.887 1.331 -2.382 1.00 0.00 C ATOM 135 C LYS A 9 12.188 1.136 -0.899 1.00 0.00 C ATOM 136 O LYS A 9 13.331 0.887 -0.515 1.00 0.00 O ATOM 137 CB LYS A 9 12.470 0.170 -3.190 1.00 0.00 C ATOM 138 CG LYS A 9 11.810 -0.022 -4.545 1.00 0.00 C ATOM 139 CD LYS A 9 12.030 -1.429 -5.077 1.00 0.00 C ATOM 140 CE LYS A 9 11.769 -1.507 -6.573 1.00 0.00 C ATOM 141 NZ LYS A 9 12.460 -0.417 -7.315 1.00 0.00 N ATOM 0 H LYS A 9 13.270 2.520 -3.418 1.00 0.00 H new ATOM 0 HA LYS A 9 10.805 1.349 -2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.537 0.340 -3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.370 -0.749 -2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.741 0.173 -4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.212 0.703 -5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.053 -1.742 -4.868 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.372 -2.123 -4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.105 -2.473 -6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.696 -1.449 -6.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.624 -0.716 -8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.868 0.438 -7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.372 -0.211 -6.859 1.00 0.00 H new ATOM 155 N GLU A 10 11.155 1.247 -0.072 1.00 0.00 N ATOM 156 CA GLU A 10 11.303 1.079 1.369 1.00 0.00 C ATOM 157 C GLU A 10 10.131 0.286 1.938 1.00 0.00 C ATOM 158 O GLU A 10 8.996 0.429 1.482 1.00 0.00 O ATOM 159 CB GLU A 10 11.398 2.442 2.059 1.00 0.00 C ATOM 160 CG GLU A 10 12.479 3.341 1.482 1.00 0.00 C ATOM 161 CD GLU A 10 13.398 3.907 2.549 1.00 0.00 C ATOM 162 OE1 GLU A 10 13.843 3.132 3.419 1.00 0.00 O ATOM 163 OE2 GLU A 10 13.672 5.126 2.510 1.00 0.00 O ATOM 0 H GLU A 10 10.203 1.453 -0.376 1.00 0.00 H new ATOM 0 HA GLU A 10 12.223 0.526 1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.436 2.948 1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.592 2.290 3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.070 2.776 0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.012 4.162 0.938 1.00 0.00 H new ATOM 170 N PRO A 11 10.384 -0.573 2.941 1.00 0.00 N ATOM 171 CA PRO A 11 9.341 -1.388 3.557 1.00 0.00 C ATOM 172 C PRO A 11 8.573 -0.640 4.642 1.00 0.00 C ATOM 173 O PRO A 11 9.017 0.403 5.124 1.00 0.00 O ATOM 174 CB PRO A 11 10.136 -2.541 4.158 1.00 0.00 C ATOM 175 CG PRO A 11 11.433 -1.921 4.554 1.00 0.00 C ATOM 176 CD PRO A 11 11.705 -0.824 3.550 1.00 0.00 C ATOM 0 HA PRO A 11 8.576 -1.693 2.843 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.623 -2.974 5.016 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.282 -3.344 3.435 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.378 -1.517 5.565 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.234 -2.660 4.549 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.101 0.070 4.031 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.437 -1.135 2.805 1.00 0.00 H new ATOM 184 N ALA A 12 7.420 -1.181 5.022 1.00 0.00 N ATOM 185 CA ALA A 12 6.587 -0.569 6.049 1.00 0.00 C ATOM 186 C ALA A 12 6.405 -1.508 7.236 1.00 0.00 C ATOM 187 O ALA A 12 5.650 -2.479 7.163 1.00 0.00 O ATOM 188 CB ALA A 12 5.236 -0.178 5.469 1.00 0.00 C ATOM 0 H ALA A 12 7.041 -2.044 4.632 1.00 0.00 H new ATOM 0 HA ALA A 12 7.090 0.330 6.404 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.624 0.278 6.247 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.381 0.535 4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.734 -1.066 5.086 1.00 0.00 H new ATOM 194 N THR A 13 7.104 -1.216 8.328 1.00 0.00 N ATOM 195 CA THR A 13 7.027 -2.037 9.531 1.00 0.00 C ATOM 196 C THR A 13 5.628 -1.996 10.141 1.00 0.00 C ATOM 197 O THR A 13 5.381 -1.264 11.098 1.00 0.00 O ATOM 198 CB THR A 13 8.057 -1.567 10.560 1.00 0.00 C ATOM 199 OG1 THR A 13 7.736 -0.272 11.036 1.00 0.00 O ATOM 200 CG2 THR A 13 9.468 -1.522 10.017 1.00 0.00 C ATOM 0 H THR A 13 7.731 -0.415 8.405 1.00 0.00 H new ATOM 0 HA THR A 13 7.245 -3.066 9.247 1.00 0.00 H new ATOM 0 HB THR A 13 8.019 -2.303 11.364 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.828 -0.274 11.404 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.148 -1.181 10.798 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.764 -2.519 9.689 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.511 -0.834 9.172 1.00 0.00 H new ATOM 208 N LEU A 14 4.720 -2.793 9.586 1.00 0.00 N ATOM 209 CA LEU A 14 3.350 -2.852 10.084 1.00 0.00 C ATOM 210 C LEU A 14 3.310 -3.520 11.454 1.00 0.00 C ATOM 211 O LEU A 14 3.729 -4.666 11.607 1.00 0.00 O ATOM 212 CB LEU A 14 2.461 -3.619 9.104 1.00 0.00 C ATOM 213 CG LEU A 14 0.983 -3.226 9.126 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.289 -3.701 7.859 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.295 -3.795 10.361 1.00 0.00 C ATOM 0 H LEU A 14 4.908 -3.406 8.793 1.00 0.00 H new ATOM 0 HA LEU A 14 2.974 -1.833 10.179 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.846 -3.470 8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.541 -4.684 9.322 1.00 0.00 H new ATOM 0 HG LEU A 14 0.916 -2.139 9.169 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.762 -3.414 7.890 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.764 -3.245 6.991 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.366 -4.786 7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.756 -3.505 10.359 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.371 -4.882 10.351 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.777 -3.406 11.258 1.00 0.00 H new ATOM 227 N ILE A 15 2.810 -2.797 12.453 1.00 0.00 N ATOM 228 CA ILE A 15 2.731 -3.329 13.808 1.00 0.00 C ATOM 229 C ILE A 15 1.314 -3.253 14.368 1.00 0.00 C ATOM 230 O ILE A 15 0.656 -4.277 14.556 1.00 0.00 O ATOM 231 CB ILE A 15 3.689 -2.584 14.757 1.00 0.00 C ATOM 232 CG1 ILE A 15 5.081 -2.482 14.130 1.00 0.00 C ATOM 233 CG2 ILE A 15 3.758 -3.290 16.104 1.00 0.00 C ATOM 234 CD1 ILE A 15 5.991 -1.500 14.832 1.00 0.00 C ATOM 0 H ILE A 15 2.456 -1.846 12.349 1.00 0.00 H new ATOM 0 HA ILE A 15 3.026 -4.377 13.745 1.00 0.00 H new ATOM 0 HB ILE A 15 3.308 -1.576 14.918 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.547 -3.467 14.139 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.979 -2.187 13.086 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.439 -2.751 16.763 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.765 -3.317 16.552 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.120 -4.308 15.963 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.960 -1.481 14.333 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.547 -0.505 14.800 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.124 -1.805 15.870 1.00 0.00 H new ATOM 246 N LYS A 16 0.849 -2.037 14.648 1.00 0.00 N ATOM 247 CA LYS A 16 -0.487 -1.842 15.203 1.00 0.00 C ATOM 248 C LYS A 16 -1.338 -0.945 14.307 1.00 0.00 C ATOM 249 O LYS A 16 -0.831 -0.017 13.676 1.00 0.00 O ATOM 250 CB LYS A 16 -0.390 -1.233 16.603 1.00 0.00 C ATOM 251 CG LYS A 16 0.445 0.036 16.655 1.00 0.00 C ATOM 252 CD LYS A 16 0.479 0.624 18.057 1.00 0.00 C ATOM 253 CE LYS A 16 1.842 1.215 18.382 1.00 0.00 C ATOM 254 NZ LYS A 16 1.728 2.500 19.124 1.00 0.00 N ATOM 0 H LYS A 16 1.376 -1.176 14.500 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.969 -2.818 15.262 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.394 -1.013 16.965 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.040 -1.969 17.282 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.461 -0.182 16.326 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.036 0.770 15.961 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.284 1.397 18.147 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.235 -0.151 18.784 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.414 0.502 18.976 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.397 1.378 17.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.679 2.870 19.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.204 3.189 18.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.221 2.341 20.018 1.00 0.00 H new ATOM 268 N ALA A 17 -2.637 -1.228 14.265 1.00 0.00 N ATOM 269 CA ALA A 17 -3.568 -0.449 13.457 1.00 0.00 C ATOM 270 C ALA A 17 -4.703 0.100 14.314 1.00 0.00 C ATOM 271 O ALA A 17 -5.116 -0.527 15.290 1.00 0.00 O ATOM 272 CB ALA A 17 -4.124 -1.300 12.325 1.00 0.00 C ATOM 0 H ALA A 17 -3.069 -1.993 14.783 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.026 0.394 13.029 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.818 -0.706 11.730 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.306 -1.644 11.692 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.648 -2.161 12.740 1.00 0.00 H new ATOM 278 N ILE A 18 -5.202 1.277 13.950 1.00 0.00 N ATOM 279 CA ILE A 18 -6.288 1.905 14.693 1.00 0.00 C ATOM 280 C ILE A 18 -7.645 1.620 14.044 1.00 0.00 C ATOM 281 O ILE A 18 -8.309 0.643 14.389 1.00 0.00 O ATOM 282 CB ILE A 18 -6.070 3.431 14.819 1.00 0.00 C ATOM 283 CG1 ILE A 18 -4.742 3.720 15.522 1.00 0.00 C ATOM 284 CG2 ILE A 18 -7.223 4.077 15.575 1.00 0.00 C ATOM 285 CD1 ILE A 18 -4.701 3.241 16.957 1.00 0.00 C ATOM 0 H ILE A 18 -4.873 1.814 13.147 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.287 1.471 15.693 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.035 3.859 13.817 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.935 3.244 14.965 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.555 4.794 15.500 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.051 5.150 15.653 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.155 3.897 15.040 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.289 3.647 16.574 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.731 3.479 17.392 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.486 3.736 17.528 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.856 2.163 16.985 1.00 0.00 H new ATOM 297 N ASP A 19 -8.059 2.474 13.108 1.00 0.00 N ATOM 298 CA ASP A 19 -9.339 2.298 12.427 1.00 0.00 C ATOM 299 C ASP A 19 -9.139 2.096 10.929 1.00 0.00 C ATOM 300 O ASP A 19 -8.811 3.035 10.205 1.00 0.00 O ATOM 301 CB ASP A 19 -10.243 3.507 12.675 1.00 0.00 C ATOM 302 CG ASP A 19 -9.530 4.822 12.433 1.00 0.00 C ATOM 303 OD1 ASP A 19 -8.922 5.352 13.387 1.00 0.00 O ATOM 304 OD2 ASP A 19 -9.577 5.322 11.290 1.00 0.00 O ATOM 0 H ASP A 19 -7.528 3.291 12.806 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.816 1.406 12.833 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.115 3.445 12.024 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.609 3.479 13.701 1.00 0.00 H new ATOM 309 N GLY A 20 -9.344 0.866 10.469 1.00 0.00 N ATOM 310 CA GLY A 20 -9.184 0.568 9.057 1.00 0.00 C ATOM 311 C GLY A 20 -7.838 -0.055 8.746 1.00 0.00 C ATOM 312 O GLY A 20 -7.551 -1.173 9.176 1.00 0.00 O ATOM 0 H GLY A 20 -9.618 0.071 11.047 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.977 -0.109 8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.299 1.485 8.480 1.00 0.00 H new ATOM 316 N ASP A 21 -7.012 0.665 7.996 1.00 0.00 N ATOM 317 CA ASP A 21 -5.689 0.173 7.630 1.00 0.00 C ATOM 318 C ASP A 21 -4.598 1.143 8.075 1.00 0.00 C ATOM 319 O ASP A 21 -3.460 1.063 7.610 1.00 0.00 O ATOM 320 CB ASP A 21 -5.606 -0.048 6.120 1.00 0.00 C ATOM 321 CG ASP A 21 -6.211 -1.372 5.695 1.00 0.00 C ATOM 322 OD1 ASP A 21 -5.986 -2.379 6.397 1.00 0.00 O ATOM 323 OD2 ASP A 21 -6.909 -1.400 4.659 1.00 0.00 O ATOM 0 H ASP A 21 -7.235 1.591 7.630 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.531 -0.777 8.141 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.121 0.765 5.608 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.563 -0.011 5.807 1.00 0.00 H new ATOM 328 N THR A 22 -4.943 2.056 8.979 1.00 0.00 N ATOM 329 CA THR A 22 -3.982 3.032 9.479 1.00 0.00 C ATOM 330 C THR A 22 -3.009 2.380 10.455 1.00 0.00 C ATOM 331 O THR A 22 -3.369 2.061 11.588 1.00 0.00 O ATOM 332 CB THR A 22 -4.704 4.198 10.160 1.00 0.00 C ATOM 333 OG1 THR A 22 -3.786 5.002 10.881 1.00 0.00 O ATOM 334 CG2 THR A 22 -5.782 3.757 11.125 1.00 0.00 C ATOM 0 H THR A 22 -5.878 2.140 9.378 1.00 0.00 H new ATOM 0 HA THR A 22 -3.418 3.416 8.629 1.00 0.00 H new ATOM 0 HB THR A 22 -5.173 4.758 9.351 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.265 5.743 11.308 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.252 4.634 11.571 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.533 3.175 10.591 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.339 3.144 11.910 1.00 0.00 H new ATOM 342 N VAL A 23 -1.774 2.184 10.007 1.00 0.00 N ATOM 343 CA VAL A 23 -0.748 1.570 10.838 1.00 0.00 C ATOM 344 C VAL A 23 0.518 2.419 10.858 1.00 0.00 C ATOM 345 O VAL A 23 0.977 2.889 9.819 1.00 0.00 O ATOM 346 CB VAL A 23 -0.392 0.155 10.343 1.00 0.00 C ATOM 347 CG1 VAL A 23 0.493 -0.559 11.351 1.00 0.00 C ATOM 348 CG2 VAL A 23 -1.656 -0.648 10.069 1.00 0.00 C ATOM 0 H VAL A 23 -1.460 2.442 9.072 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.157 1.501 11.846 1.00 0.00 H new ATOM 0 HB VAL A 23 0.164 0.247 9.410 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.733 -1.556 10.982 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.414 0.007 11.492 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.032 -0.640 12.303 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.385 -1.645 9.720 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.240 -0.730 10.985 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.248 -0.145 9.305 1.00 0.00 H new ATOM 358 N LYS A 24 1.077 2.610 12.048 1.00 0.00 N ATOM 359 CA LYS A 24 2.289 3.404 12.200 1.00 0.00 C ATOM 360 C LYS A 24 3.520 2.586 11.825 1.00 0.00 C ATOM 361 O LYS A 24 4.031 1.806 12.628 1.00 0.00 O ATOM 362 CB LYS A 24 2.413 3.910 13.638 1.00 0.00 C ATOM 363 CG LYS A 24 2.931 5.336 13.740 1.00 0.00 C ATOM 364 CD LYS A 24 1.798 6.327 13.955 1.00 0.00 C ATOM 365 CE LYS A 24 2.156 7.361 15.010 1.00 0.00 C ATOM 366 NZ LYS A 24 1.893 6.861 16.388 1.00 0.00 N ATOM 0 H LYS A 24 0.711 2.226 12.919 1.00 0.00 H new ATOM 0 HA LYS A 24 2.225 4.260 11.528 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.437 3.852 14.120 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.081 3.249 14.190 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.640 5.408 14.565 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.473 5.593 12.830 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.569 6.829 13.015 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.898 5.792 14.259 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.209 7.627 14.915 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.580 8.270 14.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.150 7.595 17.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.884 6.631 16.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.462 6.008 16.562 1.00 0.00 H new ATOM 380 N LEU A 25 3.986 2.768 10.594 1.00 0.00 N ATOM 381 CA LEU A 25 5.154 2.047 10.101 1.00 0.00 C ATOM 382 C LEU A 25 6.404 2.918 10.181 1.00 0.00 C ATOM 383 O LEU A 25 6.349 4.123 9.939 1.00 0.00 O ATOM 384 CB LEU A 25 4.929 1.591 8.655 1.00 0.00 C ATOM 385 CG LEU A 25 3.486 1.209 8.303 1.00 0.00 C ATOM 386 CD1 LEU A 25 3.015 1.961 7.065 1.00 0.00 C ATOM 387 CD2 LEU A 25 3.362 -0.295 8.095 1.00 0.00 C ATOM 0 H LEU A 25 3.572 3.410 9.918 1.00 0.00 H new ATOM 0 HA LEU A 25 5.300 1.171 10.732 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.249 2.390 7.986 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.572 0.733 8.458 1.00 0.00 H new ATOM 0 HG LEU A 25 2.847 1.493 9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.989 1.675 6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.059 3.034 7.252 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.660 1.713 6.222 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.330 -0.544 7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.017 -0.605 7.280 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.650 -0.814 9.009 1.00 0.00 H new ATOM 399 N MET A 26 7.530 2.298 10.520 1.00 0.00 N ATOM 400 CA MET A 26 8.794 3.017 10.631 1.00 0.00 C ATOM 401 C MET A 26 9.341 3.373 9.252 1.00 0.00 C ATOM 402 O MET A 26 9.938 2.536 8.575 1.00 0.00 O ATOM 403 CB MET A 26 9.817 2.175 11.396 1.00 0.00 C ATOM 404 CG MET A 26 9.719 2.323 12.907 1.00 0.00 C ATOM 405 SD MET A 26 8.233 1.558 13.583 1.00 0.00 S ATOM 406 CE MET A 26 8.051 2.468 15.115 1.00 0.00 C ATOM 0 H MET A 26 7.593 1.300 10.722 1.00 0.00 H new ATOM 0 HA MET A 26 8.611 3.941 11.179 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.682 1.126 11.132 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.820 2.457 11.076 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.597 1.874 13.370 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.728 3.382 13.166 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.172 2.108 15.649 1.00 0.00 H new ATOM 0 HE2 MET A 26 8.937 2.321 15.733 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.934 3.529 14.896 1.00 0.00 H new ATOM 416 N TYR A 27 9.132 4.620 8.843 1.00 0.00 N ATOM 417 CA TYR A 27 9.605 5.088 7.545 1.00 0.00 C ATOM 418 C TYR A 27 10.941 5.812 7.682 1.00 0.00 C ATOM 419 O TYR A 27 10.990 6.980 8.068 1.00 0.00 O ATOM 420 CB TYR A 27 8.568 6.018 6.908 1.00 0.00 C ATOM 421 CG TYR A 27 9.008 6.603 5.583 1.00 0.00 C ATOM 422 CD1 TYR A 27 9.142 5.800 4.458 1.00 0.00 C ATOM 423 CD2 TYR A 27 9.289 7.957 5.461 1.00 0.00 C ATOM 424 CE1 TYR A 27 9.545 6.330 3.248 1.00 0.00 C ATOM 425 CE2 TYR A 27 9.692 8.495 4.254 1.00 0.00 C ATOM 426 CZ TYR A 27 9.818 7.679 3.150 1.00 0.00 C ATOM 427 OH TYR A 27 10.221 8.209 1.947 1.00 0.00 O ATOM 0 H TYR A 27 8.638 5.324 9.391 1.00 0.00 H new ATOM 0 HA TYR A 27 9.748 4.220 6.902 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.640 5.466 6.761 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.349 6.832 7.600 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.928 4.744 4.530 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.191 8.600 6.323 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.646 5.692 2.383 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.907 9.550 4.176 1.00 0.00 H new ATOM 0 HH TYR A 27 10.371 9.172 2.048 1.00 0.00 H new ATOM 437 N LYS A 28 12.026 5.110 7.362 1.00 0.00 N ATOM 438 CA LYS A 28 13.363 5.687 7.450 1.00 0.00 C ATOM 439 C LYS A 28 13.641 6.209 8.855 1.00 0.00 C ATOM 440 O LYS A 28 14.375 7.180 9.033 1.00 0.00 O ATOM 441 CB LYS A 28 13.520 6.820 6.433 1.00 0.00 C ATOM 442 CG LYS A 28 14.956 7.285 6.258 1.00 0.00 C ATOM 443 CD LYS A 28 15.042 8.796 6.124 1.00 0.00 C ATOM 444 CE LYS A 28 16.313 9.341 6.752 1.00 0.00 C ATOM 445 NZ LYS A 28 16.313 9.184 8.235 1.00 0.00 N ATOM 0 H LYS A 28 12.004 4.142 7.040 1.00 0.00 H new ATOM 0 HA LYS A 28 14.085 4.902 7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.134 6.488 5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.908 7.666 6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.551 6.960 7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.386 6.816 5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.009 9.071 5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.175 9.254 6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 28 17.176 8.824 6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.420 10.396 6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.201 10.116 8.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.526 8.567 8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.213 8.760 8.539 1.00 0.00 H new ATOM 459 N GLY A 29 13.048 5.558 9.849 1.00 0.00 N ATOM 460 CA GLY A 29 13.240 5.970 11.226 1.00 0.00 C ATOM 461 C GLY A 29 12.203 6.979 11.682 1.00 0.00 C ATOM 462 O GLY A 29 12.421 7.710 12.647 1.00 0.00 O ATOM 0 H GLY A 29 12.437 4.751 9.725 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.198 5.094 11.873 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.235 6.401 11.337 1.00 0.00 H new ATOM 466 N GLN A 30 11.071 7.021 10.985 1.00 0.00 N ATOM 467 CA GLN A 30 9.997 7.947 11.325 1.00 0.00 C ATOM 468 C GLN A 30 8.631 7.279 11.157 1.00 0.00 C ATOM 469 O GLN A 30 8.221 6.966 10.041 1.00 0.00 O ATOM 470 CB GLN A 30 10.079 9.197 10.445 1.00 0.00 C ATOM 471 CG GLN A 30 10.491 10.448 11.204 1.00 0.00 C ATOM 472 CD GLN A 30 9.321 11.369 11.487 1.00 0.00 C ATOM 473 OE1 GLN A 30 8.664 11.259 12.523 1.00 0.00 O ATOM 474 NE2 GLN A 30 9.053 12.286 10.564 1.00 0.00 N ATOM 0 H GLN A 30 10.874 6.424 10.181 1.00 0.00 H new ATOM 0 HA GLN A 30 10.114 8.237 12.369 1.00 0.00 H new ATOM 0 HB2 GLN A 30 10.792 9.019 9.640 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.109 9.368 9.979 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.958 10.160 12.146 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.242 10.988 10.627 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.623 12.342 9.720 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.277 12.934 10.699 1.00 0.00 H new ATOM 483 N PRO A 31 7.906 7.051 12.268 1.00 0.00 N ATOM 484 CA PRO A 31 6.583 6.418 12.226 1.00 0.00 C ATOM 485 C PRO A 31 5.546 7.287 11.521 1.00 0.00 C ATOM 486 O PRO A 31 5.395 8.468 11.834 1.00 0.00 O ATOM 487 CB PRO A 31 6.217 6.241 13.702 1.00 0.00 C ATOM 488 CG PRO A 31 7.033 7.258 14.422 1.00 0.00 C ATOM 489 CD PRO A 31 8.310 7.389 13.645 1.00 0.00 C ATOM 0 HA PRO A 31 6.601 5.483 11.666 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.151 6.400 13.867 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.446 5.233 14.048 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.509 8.212 14.475 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.230 6.945 15.447 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.718 8.398 13.708 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.078 6.711 14.017 1.00 0.00 H new ATOM 497 N MET A 32 4.834 6.694 10.567 1.00 0.00 N ATOM 498 CA MET A 32 3.811 7.414 9.816 1.00 0.00 C ATOM 499 C MET A 32 2.639 6.498 9.475 1.00 0.00 C ATOM 500 O MET A 32 2.804 5.499 8.776 1.00 0.00 O ATOM 501 CB MET A 32 4.407 7.999 8.535 1.00 0.00 C ATOM 502 CG MET A 32 5.299 9.206 8.773 1.00 0.00 C ATOM 503 SD MET A 32 4.371 10.751 8.845 1.00 0.00 S ATOM 504 CE MET A 32 3.559 10.732 7.248 1.00 0.00 C ATOM 0 H MET A 32 4.947 5.717 10.296 1.00 0.00 H new ATOM 0 HA MET A 32 3.442 8.227 10.441 1.00 0.00 H new ATOM 0 HB2 MET A 32 4.984 7.226 8.027 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.596 8.284 7.864 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.845 9.071 9.706 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.040 9.268 7.976 1.00 0.00 H new ATOM 0 HE1 MET A 32 3.373 11.755 6.922 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.198 10.231 6.521 1.00 0.00 H new ATOM 0 HE3 MET A 32 2.612 10.198 7.328 1.00 0.00 H new ATOM 514 N THR A 33 1.457 6.847 9.973 1.00 0.00 N ATOM 515 CA THR A 33 0.258 6.058 9.723 1.00 0.00 C ATOM 516 C THR A 33 -0.186 6.180 8.267 1.00 0.00 C ATOM 517 O THR A 33 -0.214 7.276 7.707 1.00 0.00 O ATOM 518 CB THR A 33 -0.874 6.503 10.651 1.00 0.00 C ATOM 519 OG1 THR A 33 -0.753 7.878 10.966 1.00 0.00 O ATOM 520 CG2 THR A 33 -0.917 5.734 11.954 1.00 0.00 C ATOM 0 H THR A 33 1.305 7.672 10.553 1.00 0.00 H new ATOM 0 HA THR A 33 0.496 5.013 9.924 1.00 0.00 H new ATOM 0 HB THR A 33 -1.794 6.304 10.101 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.487 8.144 11.559 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.742 6.099 12.565 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.061 4.674 11.746 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.021 5.874 12.491 1.00 0.00 H new ATOM 528 N PHE A 34 -0.534 5.049 7.661 1.00 0.00 N ATOM 529 CA PHE A 34 -0.980 5.029 6.273 1.00 0.00 C ATOM 530 C PHE A 34 -2.130 4.045 6.085 1.00 0.00 C ATOM 531 O PHE A 34 -2.250 3.070 6.825 1.00 0.00 O ATOM 532 CB PHE A 34 0.179 4.656 5.347 1.00 0.00 C ATOM 533 CG PHE A 34 1.336 5.611 5.421 1.00 0.00 C ATOM 534 CD1 PHE A 34 1.130 6.978 5.338 1.00 0.00 C ATOM 535 CD2 PHE A 34 2.630 5.139 5.571 1.00 0.00 C ATOM 536 CE1 PHE A 34 2.193 7.859 5.404 1.00 0.00 C ATOM 537 CE2 PHE A 34 3.698 6.015 5.639 1.00 0.00 C ATOM 538 CZ PHE A 34 3.479 7.376 5.555 1.00 0.00 C ATOM 0 H PHE A 34 -0.515 4.134 8.110 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.333 6.028 6.018 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.528 3.655 5.600 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.185 4.617 4.320 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.127 7.360 5.220 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.807 4.075 5.636 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.019 8.923 5.338 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.702 5.635 5.758 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.312 8.062 5.607 1.00 0.00 H new ATOM 548 N ARG A 35 -2.973 4.307 5.093 1.00 0.00 N ATOM 549 CA ARG A 35 -4.116 3.444 4.812 1.00 0.00 C ATOM 550 C ARG A 35 -4.005 2.821 3.424 1.00 0.00 C ATOM 551 O ARG A 35 -3.458 3.424 2.501 1.00 0.00 O ATOM 552 CB ARG A 35 -5.418 4.238 4.927 1.00 0.00 C ATOM 553 CG ARG A 35 -6.237 3.887 6.159 1.00 0.00 C ATOM 554 CD ARG A 35 -7.215 4.996 6.511 1.00 0.00 C ATOM 555 NE ARG A 35 -8.302 4.519 7.363 1.00 0.00 N ATOM 556 CZ ARG A 35 -9.362 3.853 6.911 1.00 0.00 C ATOM 557 NH1 ARG A 35 -9.483 3.583 5.617 1.00 0.00 N ATOM 558 NH2 ARG A 35 -10.305 3.456 7.755 1.00 0.00 N ATOM 0 H ARG A 35 -2.887 5.110 4.469 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.121 2.640 5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -5.184 5.302 4.947 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.022 4.061 4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.784 2.961 5.982 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.570 3.707 7.002 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.683 5.800 7.019 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.630 5.417 5.595 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.245 4.708 8.364 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.761 3.886 4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.298 3.072 5.277 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.218 3.661 8.750 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.117 2.946 7.409 1.00 0.00 H new ATOM 572 N LEU A 36 -4.529 1.608 3.285 1.00 0.00 N ATOM 573 CA LEU A 36 -4.494 0.896 2.013 1.00 0.00 C ATOM 574 C LEU A 36 -5.565 1.429 1.064 1.00 0.00 C ATOM 575 O LEU A 36 -6.694 1.696 1.475 1.00 0.00 O ATOM 576 CB LEU A 36 -4.694 -0.605 2.243 1.00 0.00 C ATOM 577 CG LEU A 36 -4.935 -1.437 0.980 1.00 0.00 C ATOM 578 CD1 LEU A 36 -3.754 -1.321 0.026 1.00 0.00 C ATOM 579 CD2 LEU A 36 -5.195 -2.890 1.344 1.00 0.00 C ATOM 0 H LEU A 36 -4.984 1.096 4.040 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.518 1.059 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.815 -0.997 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.541 -0.743 2.915 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.818 -1.047 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.946 -1.920 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.618 -0.278 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.851 -1.682 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.364 -3.468 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.332 -3.292 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.075 -2.953 1.983 1.00 0.00 H new ATOM 591 N LEU A 37 -5.202 1.581 -0.205 1.00 0.00 N ATOM 592 CA LEU A 37 -6.132 2.080 -1.212 1.00 0.00 C ATOM 593 C LEU A 37 -7.015 0.955 -1.738 1.00 0.00 C ATOM 594 O LEU A 37 -6.635 0.233 -2.660 1.00 0.00 O ATOM 595 CB LEU A 37 -5.367 2.727 -2.366 1.00 0.00 C ATOM 596 CG LEU A 37 -6.241 3.261 -3.504 1.00 0.00 C ATOM 597 CD1 LEU A 37 -5.623 4.511 -4.111 1.00 0.00 C ATOM 598 CD2 LEU A 37 -6.442 2.193 -4.566 1.00 0.00 C ATOM 0 H LEU A 37 -4.271 1.366 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.770 2.830 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.770 3.549 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.671 1.995 -2.776 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.216 3.526 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.258 4.876 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.532 5.281 -3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.635 4.274 -4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.066 2.590 -5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.475 1.897 -4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.930 1.326 -4.122 1.00 0.00 H new ATOM 610 N LEU A 38 -8.196 0.808 -1.145 1.00 0.00 N ATOM 611 CA LEU A 38 -9.134 -0.231 -1.554 1.00 0.00 C ATOM 612 C LEU A 38 -10.489 0.369 -1.910 1.00 0.00 C ATOM 613 O LEU A 38 -10.788 1.510 -1.558 1.00 0.00 O ATOM 614 CB LEU A 38 -9.292 -1.269 -0.438 1.00 0.00 C ATOM 615 CG LEU A 38 -8.869 -2.690 -0.813 1.00 0.00 C ATOM 616 CD1 LEU A 38 -9.826 -3.278 -1.837 1.00 0.00 C ATOM 617 CD2 LEU A 38 -7.443 -2.698 -1.344 1.00 0.00 C ATOM 0 H LEU A 38 -8.526 1.396 -0.379 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.734 -0.722 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.706 -0.947 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.336 -1.287 -0.125 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.905 -3.309 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.510 -4.289 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.833 -3.307 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.823 -2.660 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.158 -3.717 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.381 -2.065 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.767 -2.318 -0.578 1.00 0.00 H new ATOM 929 N ALA A 58 -8.729 -7.073 9.990 1.00 0.00 N ATOM 930 CA ALA A 58 -7.897 -6.028 9.407 1.00 0.00 C ATOM 931 C ALA A 58 -6.489 -6.052 9.995 1.00 0.00 C ATOM 932 O ALA A 58 -5.501 -6.109 9.263 1.00 0.00 O ATOM 933 CB ALA A 58 -8.536 -4.664 9.622 1.00 0.00 C ATOM 0 HA ALA A 58 -7.818 -6.217 8.336 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.904 -3.893 9.182 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.517 -4.643 9.148 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.645 -4.478 10.690 1.00 0.00 H new ATOM 939 N SER A 59 -6.406 -6.006 11.320 1.00 0.00 N ATOM 940 CA SER A 59 -5.120 -6.021 12.008 1.00 0.00 C ATOM 941 C SER A 59 -4.439 -7.383 11.879 1.00 0.00 C ATOM 942 O SER A 59 -3.217 -7.487 11.979 1.00 0.00 O ATOM 943 CB SER A 59 -5.305 -5.672 13.486 1.00 0.00 C ATOM 944 OG SER A 59 -6.326 -6.461 14.072 1.00 0.00 O ATOM 0 H SER A 59 -7.215 -5.958 11.940 1.00 0.00 H new ATOM 0 HA SER A 59 -4.482 -5.273 11.538 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.368 -5.829 14.020 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.555 -4.616 13.585 1.00 0.00 H new ATOM 0 HG SER A 59 -6.424 -6.220 15.017 1.00 0.00 H new ATOM 950 N ALA A 60 -5.236 -8.424 11.660 1.00 0.00 N ATOM 951 CA ALA A 60 -4.708 -9.778 11.522 1.00 0.00 C ATOM 952 C ALA A 60 -3.637 -9.856 10.437 1.00 0.00 C ATOM 953 O ALA A 60 -2.791 -10.750 10.451 1.00 0.00 O ATOM 954 CB ALA A 60 -5.836 -10.754 11.221 1.00 0.00 C ATOM 0 H ALA A 60 -6.250 -8.357 11.574 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.241 -10.051 12.468 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.429 -11.760 11.120 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.560 -10.735 12.035 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.327 -10.467 10.291 1.00 0.00 H new ATOM 960 N PHE A 61 -3.677 -8.915 9.495 1.00 0.00 N ATOM 961 CA PHE A 61 -2.709 -8.885 8.404 1.00 0.00 C ATOM 962 C PHE A 61 -1.278 -8.865 8.936 1.00 0.00 C ATOM 963 O PHE A 61 -0.363 -9.387 8.302 1.00 0.00 O ATOM 964 CB PHE A 61 -2.950 -7.663 7.515 1.00 0.00 C ATOM 965 CG PHE A 61 -4.050 -7.859 6.510 1.00 0.00 C ATOM 966 CD1 PHE A 61 -5.365 -8.002 6.922 1.00 0.00 C ATOM 967 CD2 PHE A 61 -3.768 -7.900 5.154 1.00 0.00 C ATOM 968 CE1 PHE A 61 -6.378 -8.182 6.001 1.00 0.00 C ATOM 969 CE2 PHE A 61 -4.777 -8.080 4.228 1.00 0.00 C ATOM 970 CZ PHE A 61 -6.085 -8.220 4.651 1.00 0.00 C ATOM 0 H PHE A 61 -4.368 -8.166 9.467 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.842 -9.791 7.813 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.193 -6.808 8.145 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.027 -7.419 6.989 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.601 -7.972 7.976 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.748 -7.790 4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.399 -8.293 6.336 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.544 -8.111 3.174 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.876 -8.359 3.929 1.00 0.00 H new ATOM 980 N THR A 62 -1.094 -8.259 10.104 1.00 0.00 N ATOM 981 CA THR A 62 0.226 -8.170 10.718 1.00 0.00 C ATOM 982 C THR A 62 0.607 -9.480 11.406 1.00 0.00 C ATOM 983 O THR A 62 1.779 -9.715 11.704 1.00 0.00 O ATOM 984 CB THR A 62 0.264 -7.022 11.727 1.00 0.00 C ATOM 985 OG1 THR A 62 1.576 -6.837 12.228 1.00 0.00 O ATOM 986 CG2 THR A 62 -0.654 -7.233 12.912 1.00 0.00 C ATOM 0 H THR A 62 -1.841 -7.823 10.644 1.00 0.00 H new ATOM 0 HA THR A 62 0.950 -7.978 9.927 1.00 0.00 H new ATOM 0 HB THR A 62 -0.077 -6.145 11.177 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.977 -6.046 11.811 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.577 -6.381 13.588 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.682 -7.328 12.563 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.364 -8.142 13.439 1.00 0.00 H new ATOM 994 N LYS A 63 -0.385 -10.326 11.663 1.00 0.00 N ATOM 995 CA LYS A 63 -0.147 -11.605 12.321 1.00 0.00 C ATOM 996 C LYS A 63 0.155 -12.707 11.307 1.00 0.00 C ATOM 997 O LYS A 63 1.194 -13.356 11.374 1.00 0.00 O ATOM 998 CB LYS A 63 -1.357 -11.994 13.172 1.00 0.00 C ATOM 999 CG LYS A 63 -0.993 -12.419 14.587 1.00 0.00 C ATOM 1000 CD LYS A 63 -0.356 -11.280 15.365 1.00 0.00 C ATOM 1001 CE LYS A 63 -0.884 -11.214 16.789 1.00 0.00 C ATOM 1002 NZ LYS A 63 -0.897 -9.819 17.312 1.00 0.00 N ATOM 0 H LYS A 63 -1.361 -10.149 11.426 1.00 0.00 H new ATOM 0 HA LYS A 63 0.725 -11.492 12.965 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.044 -11.149 13.220 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.889 -12.809 12.682 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.888 -12.760 15.107 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.305 -13.264 14.549 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.726 -11.411 15.383 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.555 -10.336 14.858 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.894 -11.623 16.821 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.266 -11.838 17.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.264 -9.817 18.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.070 -9.437 17.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.507 -9.229 16.711 1.00 0.00 H new ATOM 1016 N LYS A 64 -0.771 -12.918 10.377 1.00 0.00 N ATOM 1017 CA LYS A 64 -0.614 -13.950 9.355 1.00 0.00 C ATOM 1018 C LYS A 64 0.115 -13.408 8.132 1.00 0.00 C ATOM 1019 O LYS A 64 1.167 -13.918 7.745 1.00 0.00 O ATOM 1020 CB LYS A 64 -1.980 -14.501 8.943 1.00 0.00 C ATOM 1021 CG LYS A 64 -2.904 -14.783 10.116 1.00 0.00 C ATOM 1022 CD LYS A 64 -4.362 -14.796 9.683 1.00 0.00 C ATOM 1023 CE LYS A 64 -4.794 -13.444 9.142 1.00 0.00 C ATOM 1024 NZ LYS A 64 -4.739 -13.396 7.654 1.00 0.00 N ATOM 0 H LYS A 64 -1.640 -12.388 10.309 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.016 -14.755 9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.463 -13.788 8.275 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.835 -15.421 8.377 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.646 -15.744 10.561 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.758 -14.026 10.886 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.509 -15.559 8.918 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.992 -15.068 10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.809 -13.228 9.475 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.151 -12.666 9.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.204 -12.557 7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.270 -14.252 7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.705 -13.345 7.272 1.00 0.00 H new ATOM 1038 N MET A 65 -0.461 -12.380 7.520 1.00 0.00 N ATOM 1039 CA MET A 65 0.118 -11.771 6.331 1.00 0.00 C ATOM 1040 C MET A 65 1.555 -11.315 6.574 1.00 0.00 C ATOM 1041 O MET A 65 2.319 -11.118 5.628 1.00 0.00 O ATOM 1042 CB MET A 65 -0.735 -10.585 5.874 1.00 0.00 C ATOM 1043 CG MET A 65 -1.067 -10.612 4.392 1.00 0.00 C ATOM 1044 SD MET A 65 -2.456 -11.695 4.009 1.00 0.00 S ATOM 1045 CE MET A 65 -3.183 -10.834 2.616 1.00 0.00 C ATOM 0 H MET A 65 -1.332 -11.950 7.830 1.00 0.00 H new ATOM 0 HA MET A 65 0.134 -12.529 5.548 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.663 -10.573 6.446 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.208 -9.659 6.103 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.297 -9.601 4.057 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.191 -10.941 3.834 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.215 -10.572 2.849 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.615 -9.926 2.413 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.162 -11.480 1.738 1.00 0.00 H new ATOM 1055 N TRP A 66 1.922 -11.135 7.839 1.00 0.00 N ATOM 1056 CA TRP A 66 3.266 -10.688 8.178 1.00 0.00 C ATOM 1057 C TRP A 66 4.168 -11.850 8.598 1.00 0.00 C ATOM 1058 O TRP A 66 5.372 -11.829 8.340 1.00 0.00 O ATOM 1059 CB TRP A 66 3.212 -9.634 9.284 1.00 0.00 C ATOM 1060 CG TRP A 66 3.835 -8.329 8.889 1.00 0.00 C ATOM 1061 CD1 TRP A 66 3.463 -7.525 7.849 1.00 0.00 C ATOM 1062 CD2 TRP A 66 4.942 -7.678 9.524 1.00 0.00 C ATOM 1063 NE1 TRP A 66 4.270 -6.415 7.799 1.00 0.00 N ATOM 1064 CE2 TRP A 66 5.186 -6.485 8.817 1.00 0.00 C ATOM 1065 CE3 TRP A 66 5.749 -7.989 10.622 1.00 0.00 C ATOM 1066 CZ2 TRP A 66 6.203 -5.605 9.173 1.00 0.00 C ATOM 1067 CZ3 TRP A 66 6.759 -7.113 10.975 1.00 0.00 C ATOM 1068 CH2 TRP A 66 6.978 -5.933 10.253 1.00 0.00 C ATOM 0 H TRP A 66 1.311 -11.291 8.641 1.00 0.00 H new ATOM 0 HA TRP A 66 3.698 -10.246 7.280 1.00 0.00 H new ATOM 0 HB2 TRP A 66 2.172 -9.463 9.563 1.00 0.00 H new ATOM 0 HB3 TRP A 66 3.720 -10.019 10.168 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.653 -7.732 7.166 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.199 -5.661 7.116 1.00 0.00 H new ATOM 0 HE3 TRP A 66 5.587 -8.897 11.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 6.375 -4.695 8.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 7.389 -7.342 11.821 1.00 0.00 H new ATOM 0 HH2 TRP A 66 7.774 -5.268 10.554 1.00 0.00 H new ATOM 1079 N GLU A 67 3.593 -12.857 9.252 1.00 0.00 N ATOM 1080 CA GLU A 67 4.373 -14.008 9.704 1.00 0.00 C ATOM 1081 C GLU A 67 4.341 -15.147 8.690 1.00 0.00 C ATOM 1082 O GLU A 67 5.388 -15.613 8.238 1.00 0.00 O ATOM 1083 CB GLU A 67 3.861 -14.508 11.056 1.00 0.00 C ATOM 1084 CG GLU A 67 4.072 -13.520 12.192 1.00 0.00 C ATOM 1085 CD GLU A 67 4.549 -14.189 13.466 1.00 0.00 C ATOM 1086 OE1 GLU A 67 3.835 -15.083 13.969 1.00 0.00 O ATOM 1087 OE2 GLU A 67 5.633 -13.820 13.962 1.00 0.00 O ATOM 0 H GLU A 67 2.600 -12.900 9.479 1.00 0.00 H new ATOM 0 HA GLU A 67 5.406 -13.675 9.809 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.797 -14.730 10.972 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.364 -15.443 11.302 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.801 -12.770 11.885 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.138 -12.995 12.390 1.00 0.00 H new ATOM 1094 N ASN A 68 3.143 -15.603 8.339 1.00 0.00 N ATOM 1095 CA ASN A 68 2.999 -16.698 7.382 1.00 0.00 C ATOM 1096 C ASN A 68 3.143 -16.194 5.949 1.00 0.00 C ATOM 1097 O ASN A 68 3.583 -16.926 5.063 1.00 0.00 O ATOM 1098 CB ASN A 68 1.643 -17.383 7.561 1.00 0.00 C ATOM 1099 CG ASN A 68 1.734 -18.628 8.423 1.00 0.00 C ATOM 1100 OD1 ASN A 68 0.981 -18.788 9.383 1.00 0.00 O ATOM 1101 ND2 ASN A 68 2.659 -19.517 8.081 1.00 0.00 N ATOM 0 H ASN A 68 2.262 -15.235 8.699 1.00 0.00 H new ATOM 0 HA ASN A 68 3.792 -17.421 7.573 1.00 0.00 H new ATOM 0 HB2 ASN A 68 0.942 -16.682 8.013 1.00 0.00 H new ATOM 0 HB3 ASN A 68 1.242 -17.650 6.583 1.00 0.00 H new ATOM 0 HD21 ASN A 68 2.767 -20.375 8.622 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.262 -19.342 7.277 1.00 0.00 H new ATOM 1108 N ALA A 69 2.779 -14.937 5.735 1.00 0.00 N ATOM 1109 CA ALA A 69 2.873 -14.320 4.418 1.00 0.00 C ATOM 1110 C ALA A 69 3.994 -13.290 4.385 1.00 0.00 C ATOM 1111 O ALA A 69 4.341 -12.710 5.412 1.00 0.00 O ATOM 1112 CB ALA A 69 1.549 -13.686 4.023 1.00 0.00 C ATOM 0 H ALA A 69 2.414 -14.321 6.461 1.00 0.00 H new ATOM 0 HA ALA A 69 3.105 -15.100 3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.643 -13.232 3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.773 -14.451 3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.281 -12.920 4.751 1.00 0.00 H new ATOM 1118 N LYS A 70 4.562 -13.069 3.205 1.00 0.00 N ATOM 1119 CA LYS A 70 5.650 -12.107 3.056 1.00 0.00 C ATOM 1120 C LYS A 70 5.252 -10.757 3.643 1.00 0.00 C ATOM 1121 O LYS A 70 4.074 -10.506 3.900 1.00 0.00 O ATOM 1122 CB LYS A 70 6.025 -11.950 1.580 1.00 0.00 C ATOM 1123 CG LYS A 70 7.212 -12.803 1.160 1.00 0.00 C ATOM 1124 CD LYS A 70 6.964 -14.278 1.427 1.00 0.00 C ATOM 1125 CE LYS A 70 8.243 -14.996 1.827 1.00 0.00 C ATOM 1126 NZ LYS A 70 8.843 -15.738 0.686 1.00 0.00 N ATOM 0 H LYS A 70 4.290 -13.539 2.342 1.00 0.00 H new ATOM 0 HA LYS A 70 6.517 -12.482 3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.164 -12.212 0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.252 -10.903 1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.411 -12.653 0.099 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.102 -12.480 1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.223 -14.386 2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.547 -14.745 0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.963 -14.271 2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.030 -15.690 2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.713 -16.214 1.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.166 -16.448 0.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.070 -15.072 -0.080 1.00 0.00 H new ATOM 1140 N LYS A 71 6.238 -9.900 3.878 1.00 0.00 N ATOM 1141 CA LYS A 71 5.982 -8.589 4.466 1.00 0.00 C ATOM 1142 C LYS A 71 5.594 -7.568 3.405 1.00 0.00 C ATOM 1143 O LYS A 71 5.820 -7.773 2.212 1.00 0.00 O ATOM 1144 CB LYS A 71 7.216 -8.106 5.229 1.00 0.00 C ATOM 1145 CG LYS A 71 6.904 -7.607 6.628 1.00 0.00 C ATOM 1146 CD LYS A 71 8.109 -7.743 7.546 1.00 0.00 C ATOM 1147 CE LYS A 71 8.101 -9.073 8.282 1.00 0.00 C ATOM 1148 NZ LYS A 71 8.763 -10.148 7.494 1.00 0.00 N ATOM 0 H LYS A 71 7.219 -10.087 3.672 1.00 0.00 H new ATOM 0 HA LYS A 71 5.145 -8.690 5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.936 -8.922 5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.693 -7.305 4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.595 -6.563 6.583 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.066 -8.170 7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.025 -7.655 6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.112 -6.926 8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.608 -8.961 9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.072 -9.362 8.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.026 -10.930 8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.109 -10.497 6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.618 -9.769 7.039 1.00 0.00 H new ATOM 1162 N ILE A 72 4.991 -6.471 3.855 1.00 0.00 N ATOM 1163 CA ILE A 72 4.549 -5.417 2.954 1.00 0.00 C ATOM 1164 C ILE A 72 5.493 -4.221 2.974 1.00 0.00 C ATOM 1165 O ILE A 72 6.061 -3.875 4.010 1.00 0.00 O ATOM 1166 CB ILE A 72 3.129 -4.936 3.316 1.00 0.00 C ATOM 1167 CG1 ILE A 72 3.078 -4.468 4.773 1.00 0.00 C ATOM 1168 CG2 ILE A 72 2.118 -6.046 3.070 1.00 0.00 C ATOM 1169 CD1 ILE A 72 2.679 -3.016 4.927 1.00 0.00 C ATOM 0 H ILE A 72 4.798 -6.291 4.840 1.00 0.00 H new ATOM 0 HA ILE A 72 4.546 -5.847 1.953 1.00 0.00 H new ATOM 0 HB ILE A 72 2.873 -4.090 2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.372 -5.091 5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.057 -4.618 5.229 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.120 -5.693 3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.140 -6.331 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.369 -6.910 3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.664 -2.753 5.985 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.398 -2.384 4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.687 -2.864 4.501 1.00 0.00 H new ATOM 1181 N GLU A 73 5.646 -3.593 1.814 1.00 0.00 N ATOM 1182 CA GLU A 73 6.510 -2.430 1.671 1.00 0.00 C ATOM 1183 C GLU A 73 5.754 -1.275 1.018 1.00 0.00 C ATOM 1184 O GLU A 73 4.580 -1.409 0.672 1.00 0.00 O ATOM 1185 CB GLU A 73 7.742 -2.789 0.836 1.00 0.00 C ATOM 1186 CG GLU A 73 8.574 -3.910 1.434 1.00 0.00 C ATOM 1187 CD GLU A 73 10.005 -3.909 0.931 1.00 0.00 C ATOM 1188 OE1 GLU A 73 10.257 -3.315 -0.138 1.00 0.00 O ATOM 1189 OE2 GLU A 73 10.871 -4.501 1.606 1.00 0.00 O ATOM 0 H GLU A 73 5.178 -3.874 0.952 1.00 0.00 H new ATOM 0 HA GLU A 73 6.832 -2.116 2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.421 -3.080 -0.164 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.367 -1.903 0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.575 -3.817 2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.110 -4.867 1.197 1.00 0.00 H new ATOM 1196 N VAL A 74 6.431 -0.144 0.848 1.00 0.00 N ATOM 1197 CA VAL A 74 5.816 1.028 0.235 1.00 0.00 C ATOM 1198 C VAL A 74 6.442 1.328 -1.124 1.00 0.00 C ATOM 1199 O VAL A 74 7.653 1.195 -1.306 1.00 0.00 O ATOM 1200 CB VAL A 74 5.934 2.271 1.142 1.00 0.00 C ATOM 1201 CG1 VAL A 74 7.392 2.625 1.394 1.00 0.00 C ATOM 1202 CG2 VAL A 74 5.186 3.451 0.538 1.00 0.00 C ATOM 0 H VAL A 74 7.404 -0.014 1.126 1.00 0.00 H new ATOM 0 HA VAL A 74 4.760 0.797 0.098 1.00 0.00 H new ATOM 0 HB VAL A 74 5.476 2.034 2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.447 3.504 2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.891 1.788 1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.884 2.837 0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.282 4.317 1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.607 3.687 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.132 3.195 0.427 1.00 0.00 H new ATOM 1212 N GLU A 75 5.610 1.730 -2.079 1.00 0.00 N ATOM 1213 CA GLU A 75 6.082 2.045 -3.422 1.00 0.00 C ATOM 1214 C GLU A 75 6.070 3.550 -3.667 1.00 0.00 C ATOM 1215 O GLU A 75 7.121 4.173 -3.817 1.00 0.00 O ATOM 1216 CB GLU A 75 5.215 1.340 -4.470 1.00 0.00 C ATOM 1217 CG GLU A 75 5.959 1.020 -5.756 1.00 0.00 C ATOM 1218 CD GLU A 75 6.613 -0.347 -5.728 1.00 0.00 C ATOM 1219 OE1 GLU A 75 6.798 -0.894 -4.621 1.00 0.00 O ATOM 1220 OE2 GLU A 75 6.938 -0.871 -6.814 1.00 0.00 O ATOM 0 H GLU A 75 4.605 1.845 -1.948 1.00 0.00 H new ATOM 0 HA GLU A 75 7.109 1.690 -3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.825 0.415 -4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.357 1.970 -4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.264 1.069 -6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.721 1.780 -5.929 1.00 0.00 H new ATOM 1227 N PHE A 76 4.874 4.131 -3.706 1.00 0.00 N ATOM 1228 CA PHE A 76 4.727 5.564 -3.932 1.00 0.00 C ATOM 1229 C PHE A 76 3.581 6.132 -3.102 1.00 0.00 C ATOM 1230 O PHE A 76 2.467 5.610 -3.120 1.00 0.00 O ATOM 1231 CB PHE A 76 4.485 5.845 -5.417 1.00 0.00 C ATOM 1232 CG PHE A 76 3.263 5.166 -5.964 1.00 0.00 C ATOM 1233 CD1 PHE A 76 3.302 3.831 -6.334 1.00 0.00 C ATOM 1234 CD2 PHE A 76 2.073 5.862 -6.108 1.00 0.00 C ATOM 1235 CE1 PHE A 76 2.178 3.203 -6.838 1.00 0.00 C ATOM 1236 CE2 PHE A 76 0.946 5.240 -6.611 1.00 0.00 C ATOM 1237 CZ PHE A 76 0.999 3.909 -6.977 1.00 0.00 C ATOM 0 H PHE A 76 3.993 3.631 -3.584 1.00 0.00 H new ATOM 0 HA PHE A 76 5.651 6.052 -3.622 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.390 6.921 -5.564 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.356 5.521 -5.986 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.221 3.274 -6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.026 6.903 -5.824 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.222 2.162 -7.123 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.025 5.794 -6.718 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.120 3.421 -7.371 1.00 0.00 H new ATOM 1247 N ASP A 77 3.863 7.209 -2.373 1.00 0.00 N ATOM 1248 CA ASP A 77 2.857 7.851 -1.537 1.00 0.00 C ATOM 1249 C ASP A 77 2.184 9.001 -2.278 1.00 0.00 C ATOM 1250 O ASP A 77 2.741 9.549 -3.229 1.00 0.00 O ATOM 1251 CB ASP A 77 3.491 8.363 -0.242 1.00 0.00 C ATOM 1252 CG ASP A 77 3.278 7.416 0.922 1.00 0.00 C ATOM 1253 OD1 ASP A 77 3.696 6.243 0.818 1.00 0.00 O ATOM 1254 OD2 ASP A 77 2.694 7.847 1.939 1.00 0.00 O ATOM 0 H ASP A 77 4.780 7.654 -2.346 1.00 0.00 H new ATOM 0 HA ASP A 77 2.097 7.109 -1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.560 8.508 -0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.069 9.337 0.005 1.00 0.00 H new ATOM 1259 N LYS A 78 0.983 9.363 -1.837 1.00 0.00 N ATOM 1260 CA LYS A 78 0.233 10.449 -2.458 1.00 0.00 C ATOM 1261 C LYS A 78 1.020 11.754 -2.399 1.00 0.00 C ATOM 1262 O LYS A 78 1.173 12.446 -3.407 1.00 0.00 O ATOM 1263 CB LYS A 78 -1.120 10.623 -1.767 1.00 0.00 C ATOM 1264 CG LYS A 78 -2.212 11.143 -2.688 1.00 0.00 C ATOM 1265 CD LYS A 78 -3.103 10.017 -3.191 1.00 0.00 C ATOM 1266 CE LYS A 78 -2.862 9.731 -4.664 1.00 0.00 C ATOM 1267 NZ LYS A 78 -3.771 10.520 -5.540 1.00 0.00 N ATOM 0 H LYS A 78 0.508 8.919 -1.051 1.00 0.00 H new ATOM 0 HA LYS A 78 0.067 10.192 -3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.432 9.665 -1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.005 11.311 -0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.818 11.877 -2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.759 11.656 -3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.915 9.115 -2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.149 10.283 -3.037 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.827 9.962 -4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.006 8.668 -4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.574 10.296 -6.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.759 10.281 -5.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.616 11.535 -5.377 1.00 0.00 H new ATOM 1281 N GLY A 79 1.518 12.085 -1.212 1.00 0.00 N ATOM 1282 CA GLY A 79 2.283 13.307 -1.044 1.00 0.00 C ATOM 1283 C GLY A 79 1.457 14.551 -1.302 1.00 0.00 C ATOM 1284 O GLY A 79 1.975 15.562 -1.776 1.00 0.00 O ATOM 0 H GLY A 79 1.406 11.529 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.683 13.345 -0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.136 13.294 -1.723 1.00 0.00 H new ATOM 1288 N GLN A 80 0.168 14.480 -0.986 1.00 0.00 N ATOM 1289 CA GLN A 80 -0.732 15.610 -1.187 1.00 0.00 C ATOM 1290 C GLN A 80 -1.002 16.346 0.126 1.00 0.00 C ATOM 1291 O GLN A 80 -1.868 17.218 0.189 1.00 0.00 O ATOM 1292 CB GLN A 80 -2.051 15.135 -1.799 1.00 0.00 C ATOM 1293 CG GLN A 80 -2.858 14.230 -0.881 1.00 0.00 C ATOM 1294 CD GLN A 80 -4.273 14.009 -1.377 1.00 0.00 C ATOM 1295 OE1 GLN A 80 -4.718 12.872 -1.533 1.00 0.00 O ATOM 1296 NE2 GLN A 80 -4.989 15.099 -1.629 1.00 0.00 N ATOM 0 H GLN A 80 -0.277 13.652 -0.590 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.247 16.305 -1.873 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -2.654 16.004 -2.060 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -1.840 14.603 -2.727 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -2.354 13.268 -0.791 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.891 14.667 0.117 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.580 16.022 -1.486 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.948 15.013 -1.966 1.00 0.00 H new ATOM 1305 N ARG A 81 -0.257 15.992 1.173 1.00 0.00 N ATOM 1306 CA ARG A 81 -0.424 16.624 2.478 1.00 0.00 C ATOM 1307 C ARG A 81 -1.871 16.537 2.951 1.00 0.00 C ATOM 1308 O ARG A 81 -2.702 17.370 2.589 1.00 0.00 O ATOM 1309 CB ARG A 81 0.013 18.089 2.417 1.00 0.00 C ATOM 1310 CG ARG A 81 1.392 18.291 1.814 1.00 0.00 C ATOM 1311 CD ARG A 81 1.652 19.757 1.504 1.00 0.00 C ATOM 1312 NE ARG A 81 1.301 20.095 0.127 1.00 0.00 N ATOM 1313 CZ ARG A 81 0.998 21.326 -0.282 1.00 0.00 C ATOM 1314 NH1 ARG A 81 1.007 22.341 0.574 1.00 0.00 N ATOM 1315 NH2 ARG A 81 0.686 21.543 -1.553 1.00 0.00 N ATOM 0 H ARG A 81 0.466 15.273 1.142 1.00 0.00 H new ATOM 0 HA ARG A 81 0.204 16.090 3.191 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.715 18.652 1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.003 18.504 3.425 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.151 17.923 2.505 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.481 17.703 0.901 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.076 20.380 2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.704 19.983 1.676 1.00 0.00 H new ATOM 0 HE ARG A 81 1.287 19.344 -0.563 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.247 22.181 1.552 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.774 23.281 0.253 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.678 20.768 -2.216 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.454 22.485 -1.867 1.00 0.00 H new ATOM 1329 N THR A 82 -2.168 15.525 3.759 1.00 0.00 N ATOM 1330 CA THR A 82 -3.519 15.341 4.279 1.00 0.00 C ATOM 1331 C THR A 82 -3.930 16.529 5.141 1.00 0.00 C ATOM 1332 O THR A 82 -3.093 17.166 5.780 1.00 0.00 O ATOM 1333 CB THR A 82 -3.611 14.045 5.086 1.00 0.00 C ATOM 1334 OG1 THR A 82 -3.167 12.943 4.313 1.00 0.00 O ATOM 1335 CG2 THR A 82 -5.014 13.741 5.564 1.00 0.00 C ATOM 0 H THR A 82 -1.496 14.823 4.067 1.00 0.00 H new ATOM 0 HA THR A 82 -4.203 15.274 3.433 1.00 0.00 H new ATOM 0 HB THR A 82 -2.974 14.196 5.957 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.755 12.175 4.470 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.012 12.809 6.130 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.365 14.552 6.202 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.678 13.642 4.705 1.00 0.00 H new ATOM 1343 N ASP A 83 -5.226 16.827 5.146 1.00 0.00 N ATOM 1344 CA ASP A 83 -5.749 17.946 5.923 1.00 0.00 C ATOM 1345 C ASP A 83 -6.684 17.464 7.028 1.00 0.00 C ATOM 1346 O ASP A 83 -6.663 17.988 8.142 1.00 0.00 O ATOM 1347 CB ASP A 83 -6.488 18.925 5.008 1.00 0.00 C ATOM 1348 CG ASP A 83 -5.578 19.533 3.959 1.00 0.00 C ATOM 1349 OD1 ASP A 83 -4.350 19.559 4.180 1.00 0.00 O ATOM 1350 OD2 ASP A 83 -6.095 19.983 2.915 1.00 0.00 O ATOM 0 H ASP A 83 -5.932 16.310 4.622 1.00 0.00 H new ATOM 0 HA ASP A 83 -4.904 18.454 6.388 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.311 18.407 4.515 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.927 19.721 5.610 1.00 0.00 H new ATOM 1355 N LYS A 84 -7.509 16.471 6.708 1.00 0.00 N ATOM 1356 CA LYS A 84 -8.462 15.919 7.670 1.00 0.00 C ATOM 1357 C LYS A 84 -7.803 15.680 9.027 1.00 0.00 C ATOM 1358 O LYS A 84 -8.183 16.287 10.028 1.00 0.00 O ATOM 1359 CB LYS A 84 -9.054 14.612 7.138 1.00 0.00 C ATOM 1360 CG LYS A 84 -10.474 14.758 6.614 1.00 0.00 C ATOM 1361 CD LYS A 84 -11.472 14.918 7.748 1.00 0.00 C ATOM 1362 CE LYS A 84 -11.813 16.379 7.990 1.00 0.00 C ATOM 1363 NZ LYS A 84 -13.146 16.540 8.631 1.00 0.00 N ATOM 0 H LYS A 84 -7.538 16.030 5.788 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.262 16.647 7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.417 14.233 6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.044 13.867 7.934 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.532 15.622 5.952 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.735 13.883 6.019 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -12.382 14.365 7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.061 14.484 8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.049 16.830 8.623 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.799 16.917 7.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.340 17.551 8.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.879 16.133 8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.152 16.049 9.548 1.00 0.00 H new ATOM 1377 N TYR A 85 -6.818 14.790 9.051 1.00 0.00 N ATOM 1378 CA TYR A 85 -6.110 14.469 10.286 1.00 0.00 C ATOM 1379 C TYR A 85 -4.599 14.607 10.107 1.00 0.00 C ATOM 1380 O TYR A 85 -3.890 15.006 11.031 1.00 0.00 O ATOM 1381 CB TYR A 85 -6.459 13.051 10.743 1.00 0.00 C ATOM 1382 CG TYR A 85 -6.896 12.969 12.189 1.00 0.00 C ATOM 1383 CD1 TYR A 85 -5.986 13.161 13.222 1.00 0.00 C ATOM 1384 CD2 TYR A 85 -8.217 12.697 12.521 1.00 0.00 C ATOM 1385 CE1 TYR A 85 -6.381 13.086 14.544 1.00 0.00 C ATOM 1386 CE2 TYR A 85 -8.620 12.621 13.841 1.00 0.00 C ATOM 1387 CZ TYR A 85 -7.699 12.817 14.847 1.00 0.00 C ATOM 1388 OH TYR A 85 -8.097 12.740 16.163 1.00 0.00 O ATOM 0 H TYR A 85 -6.491 14.278 8.231 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.427 15.178 11.051 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.255 12.660 10.109 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.591 12.408 10.598 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -4.953 13.372 12.987 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.941 12.542 11.735 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.662 13.237 15.335 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.651 12.409 14.083 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.056 12.545 16.204 1.00 0.00 H new ATOM 1398 N GLY A 86 -4.112 14.267 8.918 1.00 0.00 N ATOM 1399 CA GLY A 86 -2.690 14.352 8.648 1.00 0.00 C ATOM 1400 C GLY A 86 -2.057 12.982 8.525 1.00 0.00 C ATOM 1401 O GLY A 86 -1.040 12.699 9.158 1.00 0.00 O ATOM 0 H GLY A 86 -4.677 13.934 8.137 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.528 14.911 7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.201 14.908 9.448 1.00 0.00 H new ATOM 1405 N ARG A 87 -2.669 12.128 7.711 1.00 0.00 N ATOM 1406 CA ARG A 87 -2.165 10.775 7.512 1.00 0.00 C ATOM 1407 C ARG A 87 -2.093 10.431 6.029 1.00 0.00 C ATOM 1408 O ARG A 87 -3.107 10.117 5.405 1.00 0.00 O ATOM 1409 CB ARG A 87 -3.058 9.759 8.231 1.00 0.00 C ATOM 1410 CG ARG A 87 -3.497 10.201 9.620 1.00 0.00 C ATOM 1411 CD ARG A 87 -4.868 9.647 9.975 1.00 0.00 C ATOM 1412 NE ARG A 87 -5.913 10.152 9.083 1.00 0.00 N ATOM 1413 CZ ARG A 87 -6.372 9.493 8.020 1.00 0.00 C ATOM 1414 NH1 ARG A 87 -5.881 8.302 7.700 1.00 0.00 N ATOM 1415 NH2 ARG A 87 -7.326 10.029 7.272 1.00 0.00 N ATOM 0 H ARG A 87 -3.512 12.348 7.180 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.160 10.730 7.931 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.943 9.573 7.623 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.523 8.813 8.313 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.767 9.867 10.357 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.521 11.290 9.666 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.843 8.558 9.924 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.111 9.912 11.004 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.315 11.067 9.288 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.146 7.884 8.270 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.239 7.805 6.884 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.707 10.944 7.511 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.679 9.526 6.458 1.00 0.00 H new ATOM 1429 N GLY A 88 -0.889 10.490 5.469 1.00 0.00 N ATOM 1430 CA GLY A 88 -0.707 10.179 4.061 1.00 0.00 C ATOM 1431 C GLY A 88 -1.376 8.875 3.665 1.00 0.00 C ATOM 1432 O GLY A 88 -1.854 8.133 4.522 1.00 0.00 O ATOM 0 H GLY A 88 -0.035 10.748 5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.113 10.990 3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.359 10.119 3.840 1.00 0.00 H new ATOM 1436 N LEU A 89 -1.413 8.598 2.367 1.00 0.00 N ATOM 1437 CA LEU A 89 -2.034 7.376 1.868 1.00 0.00 C ATOM 1438 C LEU A 89 -0.991 6.420 1.300 1.00 0.00 C ATOM 1439 O LEU A 89 -0.372 6.699 0.273 1.00 0.00 O ATOM 1440 CB LEU A 89 -3.074 7.710 0.798 1.00 0.00 C ATOM 1441 CG LEU A 89 -4.171 8.682 1.241 1.00 0.00 C ATOM 1442 CD1 LEU A 89 -3.875 10.087 0.738 1.00 0.00 C ATOM 1443 CD2 LEU A 89 -5.532 8.214 0.748 1.00 0.00 C ATOM 0 H LEU A 89 -1.022 9.200 1.643 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.527 6.884 2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.561 8.134 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.543 6.783 0.467 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.190 8.704 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.665 10.764 1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.920 10.424 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.827 10.081 -0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.298 8.918 1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.526 8.161 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.748 7.227 1.158 1.00 0.00 H new ATOM 1455 N ALA A 90 -0.808 5.289 1.972 1.00 0.00 N ATOM 1456 CA ALA A 90 0.156 4.285 1.532 1.00 0.00 C ATOM 1457 C ALA A 90 -0.495 2.908 1.451 1.00 0.00 C ATOM 1458 O ALA A 90 -1.156 2.467 2.392 1.00 0.00 O ATOM 1459 CB ALA A 90 1.356 4.255 2.465 1.00 0.00 C ATOM 0 H ALA A 90 -1.314 5.044 2.823 1.00 0.00 H new ATOM 0 HA ALA A 90 0.501 4.557 0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.065 3.501 2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.839 5.232 2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.026 4.010 3.475 1.00 0.00 H new ATOM 1465 N TYR A 91 -0.308 2.237 0.319 1.00 0.00 N ATOM 1466 CA TYR A 91 -0.883 0.911 0.115 1.00 0.00 C ATOM 1467 C TYR A 91 0.149 -0.180 0.377 1.00 0.00 C ATOM 1468 O TYR A 91 1.347 0.019 0.170 1.00 0.00 O ATOM 1469 CB TYR A 91 -1.436 0.771 -1.310 1.00 0.00 C ATOM 1470 CG TYR A 91 -1.544 2.078 -2.066 1.00 0.00 C ATOM 1471 CD1 TYR A 91 -2.336 3.115 -1.587 1.00 0.00 C ATOM 1472 CD2 TYR A 91 -0.857 2.273 -3.257 1.00 0.00 C ATOM 1473 CE1 TYR A 91 -2.437 4.310 -2.275 1.00 0.00 C ATOM 1474 CE2 TYR A 91 -0.954 3.465 -3.951 1.00 0.00 C ATOM 1475 CZ TYR A 91 -1.745 4.480 -3.455 1.00 0.00 C ATOM 1476 OH TYR A 91 -1.845 5.668 -4.143 1.00 0.00 O ATOM 0 H TYR A 91 0.236 2.588 -0.469 1.00 0.00 H new ATOM 0 HA TYR A 91 -1.701 0.794 0.825 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.794 0.092 -1.871 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.423 0.310 -1.261 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.881 2.985 -0.663 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.236 1.480 -3.648 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.056 5.107 -1.889 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.413 3.600 -4.876 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.295 5.624 -4.953 1.00 0.00 H new ATOM 1486 N ILE A 92 -0.323 -1.338 0.832 1.00 0.00 N ATOM 1487 CA ILE A 92 0.556 -2.464 1.118 1.00 0.00 C ATOM 1488 C ILE A 92 0.930 -3.205 -0.160 1.00 0.00 C ATOM 1489 O ILE A 92 0.251 -3.085 -1.180 1.00 0.00 O ATOM 1490 CB ILE A 92 -0.094 -3.456 2.104 1.00 0.00 C ATOM 1491 CG1 ILE A 92 -1.405 -4.004 1.532 1.00 0.00 C ATOM 1492 CG2 ILE A 92 -0.337 -2.785 3.448 1.00 0.00 C ATOM 1493 CD1 ILE A 92 -1.210 -5.157 0.571 1.00 0.00 C ATOM 0 H ILE A 92 -1.311 -1.519 1.010 1.00 0.00 H new ATOM 0 HA ILE A 92 1.456 -2.052 1.575 1.00 0.00 H new ATOM 0 HB ILE A 92 0.590 -4.292 2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.042 -4.330 2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.933 -3.200 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.796 -3.498 4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.612 -2.444 3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.001 -1.931 3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.180 -5.494 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.599 -4.830 -0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.710 -5.978 1.085 1.00 0.00 H new ATOM 1505 N TYR A 93 2.016 -3.969 -0.101 1.00 0.00 N ATOM 1506 CA TYR A 93 2.479 -4.727 -1.259 1.00 0.00 C ATOM 1507 C TYR A 93 2.990 -6.101 -0.842 1.00 0.00 C ATOM 1508 O TYR A 93 3.181 -6.372 0.342 1.00 0.00 O ATOM 1509 CB TYR A 93 3.583 -3.958 -1.989 1.00 0.00 C ATOM 1510 CG TYR A 93 3.070 -3.094 -3.120 1.00 0.00 C ATOM 1511 CD1 TYR A 93 2.592 -3.665 -4.293 1.00 0.00 C ATOM 1512 CD2 TYR A 93 3.064 -1.709 -3.014 1.00 0.00 C ATOM 1513 CE1 TYR A 93 2.123 -2.879 -5.329 1.00 0.00 C ATOM 1514 CE2 TYR A 93 2.596 -0.917 -4.044 1.00 0.00 C ATOM 1515 CZ TYR A 93 2.127 -1.506 -5.199 1.00 0.00 C ATOM 1516 OH TYR A 93 1.660 -0.721 -6.228 1.00 0.00 O ATOM 0 H TYR A 93 2.591 -4.080 0.734 1.00 0.00 H new ATOM 0 HA TYR A 93 1.634 -4.864 -1.934 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.111 -3.329 -1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 93 4.309 -4.668 -2.385 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.587 -4.740 -4.397 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.431 -1.244 -2.111 1.00 0.00 H new ATOM 0 HE1 TYR A 93 1.756 -3.338 -6.235 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.597 0.158 -3.945 1.00 0.00 H new ATOM 0 HH TYR A 93 1.730 0.224 -5.977 1.00 0.00 H new ATOM 1526 N ALA A 94 3.210 -6.968 -1.826 1.00 0.00 N ATOM 1527 CA ALA A 94 3.701 -8.315 -1.560 1.00 0.00 C ATOM 1528 C ALA A 94 5.213 -8.390 -1.737 1.00 0.00 C ATOM 1529 O ALA A 94 5.723 -8.256 -2.849 1.00 0.00 O ATOM 1530 CB ALA A 94 3.010 -9.318 -2.472 1.00 0.00 C ATOM 0 H ALA A 94 3.056 -6.762 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 94 3.469 -8.563 -0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.386 -10.319 -2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.935 -9.290 -2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.213 -9.064 -3.512 1.00 0.00 H new ATOM 1536 N ASP A 95 5.924 -8.603 -0.631 1.00 0.00 N ATOM 1537 CA ASP A 95 7.383 -8.700 -0.653 1.00 0.00 C ATOM 1538 C ASP A 95 8.003 -7.593 -1.505 1.00 0.00 C ATOM 1539 O ASP A 95 8.941 -7.833 -2.265 1.00 0.00 O ATOM 1540 CB ASP A 95 7.820 -10.073 -1.171 1.00 0.00 C ATOM 1541 CG ASP A 95 7.492 -10.279 -2.637 1.00 0.00 C ATOM 1542 OD1 ASP A 95 8.321 -9.902 -3.490 1.00 0.00 O ATOM 1543 OD2 ASP A 95 6.403 -10.817 -2.931 1.00 0.00 O ATOM 0 H ASP A 95 5.511 -8.712 0.295 1.00 0.00 H new ATOM 0 HA ASP A 95 7.739 -8.577 0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.894 -10.187 -1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 95 7.334 -10.850 -0.582 1.00 0.00 H new ATOM 1548 N GLY A 96 7.473 -6.381 -1.371 1.00 0.00 N ATOM 1549 CA GLY A 96 7.989 -5.259 -2.134 1.00 0.00 C ATOM 1550 C GLY A 96 7.081 -4.867 -3.284 1.00 0.00 C ATOM 1551 O GLY A 96 6.596 -3.738 -3.343 1.00 0.00 O ATOM 0 H GLY A 96 6.697 -6.156 -0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.119 -4.403 -1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.974 -5.513 -2.525 1.00 0.00 H new