USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=13 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 79 LYS NZ :NH3+ 178:sc= -0.0469 (180deg=-0.0135) USER MOD Set 1.2: A 86 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-6.1!) USER MOD Set 2.1: A 52 GLN : amide:sc= -0.278 K(o=-0.35,f=0.37) USER MOD Set 2.2: A 121 GLN : amide:sc= -0.0671 K(o=-0.35,f=-3.2!) USER MOD Single : A 43 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.34) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.009 X(o=-0.009,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 7:sc= 0.0543 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 87 LYS NZ :NH3+ -133:sc= -0.0521 (180deg=-0.474) USER MOD Single : A 89 CYS SG : rot -25:sc= -0.594! USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 10:sc= 1.15 USER MOD Single : A 95 CYS SG : rot -85:sc= -0.11 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.063) USER MOD Single : A 105 SER OG : rot -44:sc= 0.057 USER MOD Single : A 108 HIS : no HD1:sc= -0.48 K(o=-0.48,f=-3.6!) USER MOD Single : A 110 GLN : amide:sc= -5.06! K(o=-5.1!,f=-3.7) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 170:sc= 0 (180deg=-0.0329) USER MOD Single : A 117 ASN : amide:sc=-0.00934 K(o=-0.0093,f=-0.92) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 42 2.159 13.226 -7.036 1.00 0.00 N ATOM 136 CA ASP A 42 2.035 14.602 -6.567 1.00 0.00 C ATOM 137 C ASP A 42 3.100 14.918 -5.521 1.00 0.00 C ATOM 138 O ASP A 42 3.518 14.043 -4.762 1.00 0.00 O ATOM 139 CB ASP A 42 0.642 14.840 -5.983 1.00 0.00 C ATOM 140 CG ASP A 42 -0.363 15.264 -7.036 1.00 0.00 C ATOM 141 OD1 ASP A 42 -0.194 14.871 -8.209 1.00 0.00 O ATOM 142 OD2 ASP A 42 -1.319 15.987 -6.686 1.00 0.00 O ATOM 0 HA ASP A 42 2.181 15.265 -7.420 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.294 13.928 -5.499 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.701 15.608 -5.211 1.00 0.00 H new ATOM 147 N HIS A 43 3.534 16.174 -5.487 1.00 0.00 N ATOM 148 CA HIS A 43 4.551 16.605 -4.535 1.00 0.00 C ATOM 149 C HIS A 43 4.023 16.529 -3.105 1.00 0.00 C ATOM 150 O HIS A 43 4.785 16.310 -2.163 1.00 0.00 O ATOM 151 CB HIS A 43 5.002 18.032 -4.849 1.00 0.00 C ATOM 152 CG HIS A 43 3.977 19.071 -4.515 1.00 0.00 C ATOM 153 ND1 HIS A 43 2.951 19.418 -5.367 1.00 0.00 N ATOM 154 CD2 HIS A 43 3.824 19.841 -3.411 1.00 0.00 C ATOM 155 CE1 HIS A 43 2.211 20.357 -4.803 1.00 0.00 C ATOM 156 NE2 HIS A 43 2.720 20.631 -3.615 1.00 0.00 N ATOM 0 H HIS A 43 3.197 16.910 -6.107 1.00 0.00 H new ATOM 0 HA HIS A 43 5.405 15.934 -4.625 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.917 18.245 -4.296 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.246 18.102 -5.909 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.454 19.835 -2.533 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.339 20.821 -5.239 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.352 21.318 -2.957 1.00 0.00 H new ATOM 165 N ASP A 44 2.717 16.713 -2.952 1.00 0.00 N ATOM 166 CA ASP A 44 2.087 16.665 -1.637 1.00 0.00 C ATOM 167 C ASP A 44 1.141 15.473 -1.531 1.00 0.00 C ATOM 168 O ASP A 44 0.160 15.511 -0.789 1.00 0.00 O ATOM 169 CB ASP A 44 1.325 17.963 -1.366 1.00 0.00 C ATOM 170 CG ASP A 44 1.106 18.207 0.114 1.00 0.00 C ATOM 171 OD1 ASP A 44 0.469 17.355 0.769 1.00 0.00 O ATOM 172 OD2 ASP A 44 1.572 19.250 0.618 1.00 0.00 O ATOM 0 H ASP A 44 2.073 16.897 -3.722 1.00 0.00 H new ATOM 0 HA ASP A 44 2.871 16.550 -0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.877 18.801 -1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.360 17.927 -1.872 1.00 0.00 H new ATOM 177 N ALA A 45 1.441 14.417 -2.280 1.00 0.00 N ATOM 178 CA ALA A 45 0.618 13.214 -2.269 1.00 0.00 C ATOM 179 C ALA A 45 0.658 12.534 -0.905 1.00 0.00 C ATOM 180 O ALA A 45 1.344 12.993 0.008 1.00 0.00 O ATOM 181 CB ALA A 45 1.077 12.251 -3.355 1.00 0.00 C ATOM 0 H ALA A 45 2.248 14.370 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.413 13.507 -2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.454 11.357 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.990 12.733 -4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.116 11.973 -3.179 1.00 0.00 H new ATOM 187 N ILE A 46 -0.082 11.438 -0.774 1.00 0.00 N ATOM 188 CA ILE A 46 -0.131 10.695 0.480 1.00 0.00 C ATOM 189 C ILE A 46 0.328 9.254 0.283 1.00 0.00 C ATOM 190 O ILE A 46 -0.087 8.583 -0.662 1.00 0.00 O ATOM 191 CB ILE A 46 -1.550 10.693 1.079 1.00 0.00 C ATOM 192 CG1 ILE A 46 -2.104 12.118 1.136 1.00 0.00 C ATOM 193 CG2 ILE A 46 -1.539 10.067 2.465 1.00 0.00 C ATOM 194 CD1 ILE A 46 -3.577 12.180 1.477 1.00 0.00 C ATOM 0 H ILE A 46 -0.656 11.045 -1.520 1.00 0.00 H new ATOM 0 HA ILE A 46 0.545 11.198 1.171 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.199 10.096 0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.543 12.688 1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.942 12.601 0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.549 10.073 2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.181 9.040 2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.879 10.639 3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.902 13.220 1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.148 11.638 0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.744 11.726 2.454 1.00 0.00 H new ATOM 206 N LYS A 47 1.185 8.784 1.182 1.00 0.00 N ATOM 207 CA LYS A 47 1.698 7.421 1.111 1.00 0.00 C ATOM 208 C LYS A 47 0.870 6.481 1.981 1.00 0.00 C ATOM 209 O LYS A 47 0.989 6.488 3.207 1.00 0.00 O ATOM 210 CB LYS A 47 3.164 7.383 1.551 1.00 0.00 C ATOM 211 CG LYS A 47 3.748 5.981 1.598 1.00 0.00 C ATOM 212 CD LYS A 47 5.267 6.009 1.559 1.00 0.00 C ATOM 213 CE LYS A 47 5.864 4.773 2.214 1.00 0.00 C ATOM 214 NZ LYS A 47 7.268 5.002 2.654 1.00 0.00 N ATOM 0 H LYS A 47 1.539 9.327 1.969 1.00 0.00 H new ATOM 0 HA LYS A 47 1.626 7.086 0.076 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.756 7.992 0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.250 7.837 2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.415 5.477 2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.372 5.401 0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.604 6.073 0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.629 6.902 2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.256 4.488 3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.835 3.940 1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.639 4.136 3.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.854 5.250 1.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.293 5.780 3.343 1.00 0.00 H new ATOM 228 N LEU A 48 0.033 5.673 1.340 1.00 0.00 N ATOM 229 CA LEU A 48 -0.814 4.726 2.056 1.00 0.00 C ATOM 230 C LEU A 48 -0.011 3.510 2.508 1.00 0.00 C ATOM 231 O LEU A 48 0.826 2.996 1.766 1.00 0.00 O ATOM 232 CB LEU A 48 -1.978 4.281 1.169 1.00 0.00 C ATOM 233 CG LEU A 48 -3.142 5.265 1.045 1.00 0.00 C ATOM 234 CD1 LEU A 48 -4.191 4.733 0.081 1.00 0.00 C ATOM 235 CD2 LEU A 48 -3.758 5.537 2.409 1.00 0.00 C ATOM 0 H LEU A 48 -0.077 5.655 0.326 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.209 5.227 2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.591 4.079 0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.365 3.339 1.557 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.757 6.205 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.011 5.447 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.743 4.591 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.572 3.780 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.585 6.239 2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.128 4.604 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.004 5.963 3.070 1.00 0.00 H new ATOM 247 N PHE A 49 -0.273 3.055 3.729 1.00 0.00 N ATOM 248 CA PHE A 49 0.425 1.898 4.279 1.00 0.00 C ATOM 249 C PHE A 49 -0.562 0.803 4.670 1.00 0.00 C ATOM 250 O PHE A 49 -1.475 1.028 5.465 1.00 0.00 O ATOM 251 CB PHE A 49 1.256 2.310 5.496 1.00 0.00 C ATOM 252 CG PHE A 49 1.635 1.157 6.381 1.00 0.00 C ATOM 253 CD1 PHE A 49 2.651 0.289 6.014 1.00 0.00 C ATOM 254 CD2 PHE A 49 0.974 0.940 7.580 1.00 0.00 C ATOM 255 CE1 PHE A 49 3.001 -0.773 6.826 1.00 0.00 C ATOM 256 CE2 PHE A 49 1.320 -0.120 8.396 1.00 0.00 C ATOM 257 CZ PHE A 49 2.335 -0.977 8.019 1.00 0.00 C ATOM 0 H PHE A 49 -0.963 3.469 4.356 1.00 0.00 H new ATOM 0 HA PHE A 49 1.089 1.505 3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.163 2.809 5.155 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.693 3.037 6.081 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.175 0.444 5.083 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.179 1.607 7.880 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.794 -1.443 6.528 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.797 -0.278 9.328 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.608 -1.806 8.656 1.00 0.00 H new ATOM 267 N VAL A 50 -0.373 -0.386 4.105 1.00 0.00 N ATOM 268 CA VAL A 50 -1.246 -1.517 4.394 1.00 0.00 C ATOM 269 C VAL A 50 -0.572 -2.502 5.343 1.00 0.00 C ATOM 270 O VAL A 50 0.585 -2.873 5.151 1.00 0.00 O ATOM 271 CB VAL A 50 -1.650 -2.257 3.105 1.00 0.00 C ATOM 272 CG1 VAL A 50 -2.867 -3.136 3.353 1.00 0.00 C ATOM 273 CG2 VAL A 50 -1.918 -1.266 1.984 1.00 0.00 C ATOM 0 H VAL A 50 0.377 -0.590 3.445 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.141 -1.114 4.868 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.823 -2.899 2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.138 -3.651 2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.634 -3.870 4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.702 -2.517 3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.202 -1.806 1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.727 -0.596 2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.017 -0.684 1.790 1.00 0.00 H new ATOM 283 N GLY A 51 -1.306 -2.924 6.368 1.00 0.00 N ATOM 284 CA GLY A 51 -0.763 -3.863 7.332 1.00 0.00 C ATOM 285 C GLY A 51 -1.643 -5.084 7.512 1.00 0.00 C ATOM 286 O GLY A 51 -1.703 -5.659 8.598 1.00 0.00 O ATOM 0 H GLY A 51 -2.267 -2.632 6.548 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.229 -4.178 7.008 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.640 -3.363 8.293 1.00 0.00 H new ATOM 290 N GLN A 52 -2.330 -5.479 6.445 1.00 0.00 N ATOM 291 CA GLN A 52 -3.214 -6.637 6.491 1.00 0.00 C ATOM 292 C GLN A 52 -2.999 -7.535 5.277 1.00 0.00 C ATOM 293 O GLN A 52 -3.953 -8.074 4.715 1.00 0.00 O ATOM 294 CB GLN A 52 -4.675 -6.189 6.556 1.00 0.00 C ATOM 295 CG GLN A 52 -5.065 -5.582 7.894 1.00 0.00 C ATOM 296 CD GLN A 52 -4.871 -6.543 9.050 1.00 0.00 C ATOM 297 OE1 GLN A 52 -3.811 -6.573 9.677 1.00 0.00 O ATOM 298 NE2 GLN A 52 -5.896 -7.336 9.340 1.00 0.00 N ATOM 0 H GLN A 52 -2.291 -5.014 5.538 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.976 -7.207 7.389 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.858 -5.459 5.768 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.318 -7.045 6.353 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.471 -4.685 8.069 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.109 -5.271 7.857 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.756 -7.278 8.795 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.823 -8.003 10.108 1.00 0.00 H new ATOM 307 N ILE A 53 -1.741 -7.689 4.877 1.00 0.00 N ATOM 308 CA ILE A 53 -1.402 -8.522 3.729 1.00 0.00 C ATOM 309 C ILE A 53 -0.847 -9.871 4.174 1.00 0.00 C ATOM 310 O ILE A 53 0.209 -9.960 4.800 1.00 0.00 O ATOM 311 CB ILE A 53 -0.371 -7.831 2.817 1.00 0.00 C ATOM 312 CG1 ILE A 53 -0.793 -6.387 2.536 1.00 0.00 C ATOM 313 CG2 ILE A 53 -0.211 -8.605 1.517 1.00 0.00 C ATOM 314 CD1 ILE A 53 0.277 -5.568 1.849 1.00 0.00 C ATOM 0 H ILE A 53 -0.940 -7.248 5.330 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.324 -8.678 3.169 1.00 0.00 H new ATOM 0 HB ILE A 53 0.592 -7.815 3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.689 -6.393 1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.060 -5.905 3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.521 -8.104 0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.130 -9.617 1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.169 -8.649 1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.091 -4.556 1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.167 -5.531 2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.528 -6.026 0.892 1.00 0.00 H new ATOM 326 N PRO A 54 -1.574 -10.948 3.842 1.00 0.00 N ATOM 327 CA PRO A 54 -1.173 -12.313 4.195 1.00 0.00 C ATOM 328 C PRO A 54 0.051 -12.778 3.414 1.00 0.00 C ATOM 329 O PRO A 54 0.714 -11.982 2.749 1.00 0.00 O ATOM 330 CB PRO A 54 -2.398 -13.151 3.818 1.00 0.00 C ATOM 331 CG PRO A 54 -3.086 -12.361 2.759 1.00 0.00 C ATOM 332 CD PRO A 54 -2.844 -10.916 3.097 1.00 0.00 C ATOM 0 HA PRO A 54 -0.889 -12.396 5.244 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -2.107 -14.135 3.451 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.048 -13.311 4.678 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.690 -12.603 1.773 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.153 -12.583 2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.769 -10.301 2.200 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.653 -10.503 3.700 1.00 0.00 H new ATOM 340 N ARG A 55 0.345 -14.071 3.499 1.00 0.00 N ATOM 341 CA ARG A 55 1.491 -14.641 2.800 1.00 0.00 C ATOM 342 C ARG A 55 1.041 -15.449 1.586 1.00 0.00 C ATOM 343 O ARG A 55 0.280 -16.407 1.713 1.00 0.00 O ATOM 344 CB ARG A 55 2.301 -15.530 3.746 1.00 0.00 C ATOM 345 CG ARG A 55 3.194 -14.752 4.698 1.00 0.00 C ATOM 346 CD ARG A 55 2.401 -14.176 5.860 1.00 0.00 C ATOM 347 NE ARG A 55 3.270 -13.692 6.929 1.00 0.00 N ATOM 348 CZ ARG A 55 2.821 -13.256 8.101 1.00 0.00 C ATOM 349 NH1 ARG A 55 1.519 -13.245 8.353 1.00 0.00 N ATOM 350 NH2 ARG A 55 3.674 -12.831 9.024 1.00 0.00 N ATOM 0 H ARG A 55 -0.194 -14.744 4.045 1.00 0.00 H new ATOM 0 HA ARG A 55 2.120 -13.820 2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.616 -16.147 4.327 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.917 -16.208 3.155 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.978 -15.406 5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.688 -13.945 4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.776 -13.358 5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.731 -14.939 6.255 1.00 0.00 H new ATOM 0 HE ARG A 55 4.277 -13.688 6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.860 -13.572 7.646 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.177 -12.910 9.253 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.676 -12.839 8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.328 -12.497 9.923 1.00 0.00 H new ATOM 364 N GLY A 56 1.516 -15.053 0.409 1.00 0.00 N ATOM 365 CA GLY A 56 1.151 -15.750 -0.810 1.00 0.00 C ATOM 366 C GLY A 56 0.795 -14.800 -1.936 1.00 0.00 C ATOM 367 O GLY A 56 0.873 -15.160 -3.111 1.00 0.00 O ATOM 0 H GLY A 56 2.147 -14.262 0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.979 -16.386 -1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.304 -16.406 -0.610 1.00 0.00 H new ATOM 371 N LEU A 57 0.399 -13.583 -1.578 1.00 0.00 N ATOM 372 CA LEU A 57 0.027 -12.578 -2.568 1.00 0.00 C ATOM 373 C LEU A 57 1.139 -11.548 -2.743 1.00 0.00 C ATOM 374 O LEU A 57 2.043 -11.449 -1.913 1.00 0.00 O ATOM 375 CB LEU A 57 -1.269 -11.880 -2.152 1.00 0.00 C ATOM 376 CG LEU A 57 -2.458 -12.794 -1.854 1.00 0.00 C ATOM 377 CD1 LEU A 57 -3.599 -12.002 -1.235 1.00 0.00 C ATOM 378 CD2 LEU A 57 -2.920 -13.498 -3.121 1.00 0.00 C ATOM 0 H LEU A 57 0.327 -13.269 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.129 -13.083 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.066 -11.280 -1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.557 -11.190 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.139 -13.551 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.436 -12.669 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.262 -11.546 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.918 -11.222 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.767 -14.144 -2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.221 -12.756 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.104 -14.099 -3.522 1.00 0.00 H new ATOM 390 N ASP A 58 1.064 -10.782 -3.826 1.00 0.00 N ATOM 391 CA ASP A 58 2.062 -9.757 -4.109 1.00 0.00 C ATOM 392 C ASP A 58 1.415 -8.529 -4.741 1.00 0.00 C ATOM 393 O ASP A 58 0.193 -8.455 -4.866 1.00 0.00 O ATOM 394 CB ASP A 58 3.146 -10.312 -5.034 1.00 0.00 C ATOM 395 CG ASP A 58 3.574 -11.714 -4.648 1.00 0.00 C ATOM 396 OD1 ASP A 58 2.862 -12.674 -5.013 1.00 0.00 O ATOM 397 OD2 ASP A 58 4.622 -11.852 -3.983 1.00 0.00 O ATOM 0 H ASP A 58 0.322 -10.852 -4.523 1.00 0.00 H new ATOM 0 HA ASP A 58 2.519 -9.459 -3.165 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.777 -10.317 -6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.013 -9.651 -5.011 1.00 0.00 H new ATOM 402 N GLU A 59 2.244 -7.568 -5.138 1.00 0.00 N ATOM 403 CA GLU A 59 1.751 -6.342 -5.755 1.00 0.00 C ATOM 404 C GLU A 59 0.904 -6.656 -6.985 1.00 0.00 C ATOM 405 O GLU A 59 0.071 -5.849 -7.398 1.00 0.00 O ATOM 406 CB GLU A 59 2.921 -5.436 -6.146 1.00 0.00 C ATOM 407 CG GLU A 59 3.919 -5.213 -5.023 1.00 0.00 C ATOM 408 CD GLU A 59 5.029 -6.247 -5.014 1.00 0.00 C ATOM 409 OE1 GLU A 59 4.856 -7.309 -5.647 1.00 0.00 O ATOM 410 OE2 GLU A 59 6.071 -5.992 -4.374 1.00 0.00 O ATOM 0 H GLU A 59 3.259 -7.615 -5.043 1.00 0.00 H new ATOM 0 HA GLU A 59 1.127 -5.824 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.439 -5.873 -7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.530 -4.472 -6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.355 -4.219 -5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.396 -5.239 -4.067 1.00 0.00 H new ATOM 417 N GLN A 60 1.123 -7.832 -7.564 1.00 0.00 N ATOM 418 CA GLN A 60 0.381 -8.251 -8.747 1.00 0.00 C ATOM 419 C GLN A 60 -1.044 -8.654 -8.381 1.00 0.00 C ATOM 420 O GLN A 60 -1.925 -8.706 -9.239 1.00 0.00 O ATOM 421 CB GLN A 60 1.092 -9.417 -9.435 1.00 0.00 C ATOM 422 CG GLN A 60 0.623 -9.660 -10.861 1.00 0.00 C ATOM 423 CD GLN A 60 0.736 -11.115 -11.272 1.00 0.00 C ATOM 424 OE1 GLN A 60 1.568 -11.473 -12.106 1.00 0.00 O ATOM 425 NE2 GLN A 60 -0.102 -11.962 -10.688 1.00 0.00 N ATOM 0 H GLN A 60 1.808 -8.511 -7.233 1.00 0.00 H new ATOM 0 HA GLN A 60 0.336 -7.406 -9.434 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.165 -9.224 -9.442 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.935 -10.323 -8.850 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.414 -9.338 -10.958 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.212 -9.047 -11.543 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.776 -11.621 -10.002 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.072 -12.954 -10.925 1.00 0.00 H new ATOM 434 N ASP A 61 -1.262 -8.939 -7.102 1.00 0.00 N ATOM 435 CA ASP A 61 -2.580 -9.338 -6.622 1.00 0.00 C ATOM 436 C ASP A 61 -3.249 -8.197 -5.860 1.00 0.00 C ATOM 437 O ASP A 61 -4.456 -8.223 -5.616 1.00 0.00 O ATOM 438 CB ASP A 61 -2.468 -10.570 -5.723 1.00 0.00 C ATOM 439 CG ASP A 61 -2.279 -11.849 -6.516 1.00 0.00 C ATOM 440 OD1 ASP A 61 -1.126 -12.148 -6.892 1.00 0.00 O ATOM 441 OD2 ASP A 61 -3.283 -12.550 -6.759 1.00 0.00 O ATOM 0 H ASP A 61 -0.543 -8.901 -6.379 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.195 -9.584 -7.487 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.629 -10.442 -5.039 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.367 -10.654 -5.112 1.00 0.00 H new ATOM 446 N LEU A 62 -2.457 -7.198 -5.487 1.00 0.00 N ATOM 447 CA LEU A 62 -2.972 -6.047 -4.752 1.00 0.00 C ATOM 448 C LEU A 62 -3.292 -4.895 -5.699 1.00 0.00 C ATOM 449 O LEU A 62 -4.237 -4.138 -5.475 1.00 0.00 O ATOM 450 CB LEU A 62 -1.957 -5.593 -3.702 1.00 0.00 C ATOM 451 CG LEU A 62 -1.610 -6.613 -2.617 1.00 0.00 C ATOM 452 CD1 LEU A 62 -0.379 -6.170 -1.841 1.00 0.00 C ATOM 453 CD2 LEU A 62 -2.791 -6.814 -1.678 1.00 0.00 C ATOM 0 H LEU A 62 -1.456 -7.161 -5.681 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.893 -6.348 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.037 -5.310 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.342 -4.695 -3.218 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.387 -7.565 -3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.148 -6.908 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.467 -6.078 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.573 -5.206 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.527 -7.543 -0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.045 -5.866 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.648 -7.177 -2.244 1.00 0.00 H new ATOM 465 N LYS A 63 -2.501 -4.770 -6.759 1.00 0.00 N ATOM 466 CA LYS A 63 -2.702 -3.713 -7.743 1.00 0.00 C ATOM 467 C LYS A 63 -4.140 -3.709 -8.252 1.00 0.00 C ATOM 468 O LYS A 63 -4.784 -2.665 -8.356 1.00 0.00 O ATOM 469 CB LYS A 63 -1.735 -3.890 -8.916 1.00 0.00 C ATOM 470 CG LYS A 63 -0.436 -3.119 -8.755 1.00 0.00 C ATOM 471 CD LYS A 63 0.137 -2.705 -10.100 1.00 0.00 C ATOM 472 CE LYS A 63 0.521 -3.914 -10.939 1.00 0.00 C ATOM 473 NZ LYS A 63 1.856 -4.452 -10.558 1.00 0.00 N ATOM 0 H LYS A 63 -1.714 -5.388 -6.959 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.505 -2.757 -7.258 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.507 -4.950 -9.031 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.227 -3.568 -9.834 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.611 -2.233 -8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.290 -3.734 -8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.596 -2.105 -10.639 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.013 -2.075 -9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.232 -4.693 -10.819 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.528 -3.637 -11.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.081 -5.275 -11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.579 -3.717 -10.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.842 -4.740 -9.559 1.00 0.00 H new ATOM 487 N PRO A 64 -4.657 -4.903 -8.576 1.00 0.00 N ATOM 488 CA PRO A 64 -6.025 -5.064 -9.077 1.00 0.00 C ATOM 489 C PRO A 64 -7.045 -4.311 -8.230 1.00 0.00 C ATOM 490 O PRO A 64 -7.868 -3.558 -8.753 1.00 0.00 O ATOM 491 CB PRO A 64 -6.262 -6.573 -8.984 1.00 0.00 C ATOM 492 CG PRO A 64 -4.903 -7.176 -9.072 1.00 0.00 C ATOM 493 CD PRO A 64 -3.946 -6.189 -8.477 1.00 0.00 C ATOM 0 HA PRO A 64 -6.140 -4.662 -10.084 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.754 -6.840 -8.048 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.904 -6.924 -9.792 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.866 -8.123 -8.533 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.642 -7.389 -10.109 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.709 -6.436 -7.442 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.003 -6.167 -9.023 1.00 0.00 H new ATOM 501 N LEU A 65 -6.986 -4.518 -6.919 1.00 0.00 N ATOM 502 CA LEU A 65 -7.905 -3.858 -5.998 1.00 0.00 C ATOM 503 C LEU A 65 -7.662 -2.353 -5.972 1.00 0.00 C ATOM 504 O LEU A 65 -8.592 -1.560 -6.124 1.00 0.00 O ATOM 505 CB LEU A 65 -7.751 -4.436 -4.591 1.00 0.00 C ATOM 506 CG LEU A 65 -8.280 -5.856 -4.386 1.00 0.00 C ATOM 507 CD1 LEU A 65 -7.823 -6.408 -3.045 1.00 0.00 C ATOM 508 CD2 LEU A 65 -9.799 -5.877 -4.484 1.00 0.00 C ATOM 0 H LEU A 65 -6.312 -5.138 -6.470 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.922 -4.037 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.693 -4.423 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.262 -3.775 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.875 -6.492 -5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.209 -7.419 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.734 -6.429 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.198 -5.772 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.159 -6.895 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.222 -5.227 -3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.105 -5.524 -5.469 1.00 0.00 H new ATOM 520 N PHE A 66 -6.405 -1.965 -5.779 1.00 0.00 N ATOM 521 CA PHE A 66 -6.039 -0.554 -5.734 1.00 0.00 C ATOM 522 C PHE A 66 -6.425 0.150 -7.032 1.00 0.00 C ATOM 523 O PHE A 66 -6.618 1.365 -7.057 1.00 0.00 O ATOM 524 CB PHE A 66 -4.537 -0.403 -5.486 1.00 0.00 C ATOM 525 CG PHE A 66 -4.093 -0.935 -4.154 1.00 0.00 C ATOM 526 CD1 PHE A 66 -4.792 -0.619 -2.999 1.00 0.00 C ATOM 527 CD2 PHE A 66 -2.977 -1.750 -4.055 1.00 0.00 C ATOM 528 CE1 PHE A 66 -4.385 -1.107 -1.772 1.00 0.00 C ATOM 529 CE2 PHE A 66 -2.566 -2.241 -2.830 1.00 0.00 C ATOM 530 CZ PHE A 66 -3.271 -1.919 -1.687 1.00 0.00 C ATOM 0 H PHE A 66 -5.623 -2.608 -5.651 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.585 -0.089 -4.913 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.993 -0.922 -6.275 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.270 0.652 -5.554 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.664 0.015 -3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.422 -2.005 -4.946 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.938 -0.854 -0.880 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.695 -2.876 -2.767 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.952 -2.301 -0.729 1.00 0.00 H new ATOM 540 N GLU A 67 -6.534 -0.624 -8.108 1.00 0.00 N ATOM 541 CA GLU A 67 -6.896 -0.074 -9.409 1.00 0.00 C ATOM 542 C GLU A 67 -8.408 0.087 -9.531 1.00 0.00 C ATOM 543 O GLU A 67 -8.913 0.538 -10.558 1.00 0.00 O ATOM 544 CB GLU A 67 -6.376 -0.976 -10.531 1.00 0.00 C ATOM 545 CG GLU A 67 -4.929 -0.707 -10.907 1.00 0.00 C ATOM 546 CD GLU A 67 -4.575 -1.239 -12.283 1.00 0.00 C ATOM 547 OE1 GLU A 67 -5.142 -2.279 -12.680 1.00 0.00 O ATOM 548 OE2 GLU A 67 -3.732 -0.617 -12.962 1.00 0.00 O ATOM 0 H GLU A 67 -6.377 -1.632 -8.104 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.435 0.910 -9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.475 -2.017 -10.224 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.003 -0.843 -11.413 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.744 0.367 -10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.274 -1.164 -10.165 1.00 0.00 H new ATOM 555 N GLU A 68 -9.124 -0.285 -8.475 1.00 0.00 N ATOM 556 CA GLU A 68 -10.579 -0.183 -8.464 1.00 0.00 C ATOM 557 C GLU A 68 -11.022 1.226 -8.082 1.00 0.00 C ATOM 558 O GLU A 68 -12.149 1.632 -8.366 1.00 0.00 O ATOM 559 CB GLU A 68 -11.176 -1.200 -7.489 1.00 0.00 C ATOM 560 CG GLU A 68 -10.958 -2.644 -7.905 1.00 0.00 C ATOM 561 CD GLU A 68 -12.077 -3.175 -8.780 1.00 0.00 C ATOM 562 OE1 GLU A 68 -13.251 -2.852 -8.501 1.00 0.00 O ATOM 563 OE2 GLU A 68 -11.780 -3.913 -9.742 1.00 0.00 O ATOM 0 H GLU A 68 -8.721 -0.660 -7.616 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.941 -0.399 -9.469 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.738 -1.045 -6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.246 -1.016 -7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.013 -2.725 -8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.873 -3.266 -7.014 1.00 0.00 H new ATOM 570 N PHE A 69 -10.128 1.967 -7.436 1.00 0.00 N ATOM 571 CA PHE A 69 -10.427 3.330 -7.014 1.00 0.00 C ATOM 572 C PHE A 69 -9.660 4.342 -7.861 1.00 0.00 C ATOM 573 O PHE A 69 -10.229 5.320 -8.345 1.00 0.00 O ATOM 574 CB PHE A 69 -10.078 3.517 -5.536 1.00 0.00 C ATOM 575 CG PHE A 69 -10.859 2.621 -4.618 1.00 0.00 C ATOM 576 CD1 PHE A 69 -10.423 1.334 -4.349 1.00 0.00 C ATOM 577 CD2 PHE A 69 -12.029 3.066 -4.025 1.00 0.00 C ATOM 578 CE1 PHE A 69 -11.139 0.507 -3.504 1.00 0.00 C ATOM 579 CE2 PHE A 69 -12.750 2.244 -3.179 1.00 0.00 C ATOM 580 CZ PHE A 69 -12.305 0.962 -2.919 1.00 0.00 C ATOM 0 H PHE A 69 -9.191 1.646 -7.193 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.495 3.501 -7.153 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.014 3.329 -5.396 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.258 4.555 -5.257 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.513 0.973 -4.805 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.382 4.067 -4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.787 -0.494 -3.301 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -13.660 2.603 -2.722 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.867 0.317 -2.260 1.00 0.00 H new ATOM 590 N GLY A 70 -8.365 4.099 -8.035 1.00 0.00 N ATOM 591 CA GLY A 70 -7.541 4.998 -8.822 1.00 0.00 C ATOM 592 C GLY A 70 -6.311 4.313 -9.384 1.00 0.00 C ATOM 593 O GLY A 70 -6.040 3.153 -9.072 1.00 0.00 O ATOM 0 H GLY A 70 -7.872 3.296 -7.645 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.133 5.405 -9.642 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.233 5.840 -8.202 1.00 0.00 H new ATOM 597 N ARG A 71 -5.564 5.031 -10.217 1.00 0.00 N ATOM 598 CA ARG A 71 -4.358 4.485 -10.827 1.00 0.00 C ATOM 599 C ARG A 71 -3.188 4.527 -9.849 1.00 0.00 C ATOM 600 O ARG A 71 -2.879 5.575 -9.281 1.00 0.00 O ATOM 601 CB ARG A 71 -4.005 5.263 -12.096 1.00 0.00 C ATOM 602 CG ARG A 71 -3.178 4.464 -13.090 1.00 0.00 C ATOM 603 CD ARG A 71 -3.440 4.911 -14.519 1.00 0.00 C ATOM 604 NE ARG A 71 -4.534 4.164 -15.134 1.00 0.00 N ATOM 605 CZ ARG A 71 -5.122 4.524 -16.270 1.00 0.00 C ATOM 606 NH1 ARG A 71 -4.722 5.614 -16.911 1.00 0.00 N ATOM 607 NH2 ARG A 71 -6.111 3.793 -16.767 1.00 0.00 N ATOM 0 H ARG A 71 -5.773 5.993 -10.485 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.552 3.445 -11.090 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.926 5.588 -12.581 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.455 6.163 -11.819 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.119 4.580 -12.860 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.412 3.404 -12.991 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.677 5.975 -14.528 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.534 4.781 -15.111 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.865 3.320 -14.666 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.961 6.178 -16.532 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.175 5.888 -17.783 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.421 2.954 -16.277 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.562 4.070 -17.639 1.00 0.00 H new ATOM 621 N ILE A 72 -2.542 3.382 -9.658 1.00 0.00 N ATOM 622 CA ILE A 72 -1.406 3.289 -8.749 1.00 0.00 C ATOM 623 C ILE A 72 -0.184 3.998 -9.323 1.00 0.00 C ATOM 624 O ILE A 72 -0.028 4.104 -10.540 1.00 0.00 O ATOM 625 CB ILE A 72 -1.041 1.822 -8.452 1.00 0.00 C ATOM 626 CG1 ILE A 72 -2.194 1.125 -7.726 1.00 0.00 C ATOM 627 CG2 ILE A 72 0.234 1.750 -7.625 1.00 0.00 C ATOM 628 CD1 ILE A 72 -2.238 -0.369 -7.957 1.00 0.00 C ATOM 0 H ILE A 72 -2.786 2.506 -10.120 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.704 3.776 -7.821 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.867 1.307 -9.397 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.108 1.317 -6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.137 1.563 -8.054 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.479 0.707 -7.423 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.052 2.215 -8.176 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.086 2.277 -6.682 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.080 -0.797 -7.413 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.355 -0.569 -9.022 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.311 -0.819 -7.603 1.00 0.00 H new ATOM 640 N TYR A 73 0.683 4.481 -8.439 1.00 0.00 N ATOM 641 CA TYR A 73 1.891 5.181 -8.857 1.00 0.00 C ATOM 642 C TYR A 73 3.139 4.450 -8.371 1.00 0.00 C ATOM 643 O TYR A 73 4.071 4.213 -9.138 1.00 0.00 O ATOM 644 CB TYR A 73 1.886 6.614 -8.324 1.00 0.00 C ATOM 645 CG TYR A 73 3.240 7.286 -8.378 1.00 0.00 C ATOM 646 CD1 TYR A 73 3.736 7.797 -9.571 1.00 0.00 C ATOM 647 CD2 TYR A 73 4.021 7.409 -7.236 1.00 0.00 C ATOM 648 CE1 TYR A 73 4.973 8.410 -9.625 1.00 0.00 C ATOM 649 CE2 TYR A 73 5.259 8.022 -7.280 1.00 0.00 C ATOM 650 CZ TYR A 73 5.730 8.521 -8.477 1.00 0.00 C ATOM 651 OH TYR A 73 6.962 9.133 -8.526 1.00 0.00 O ATOM 0 H TYR A 73 0.571 4.400 -7.428 1.00 0.00 H new ATOM 0 HA TYR A 73 1.907 5.206 -9.947 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.174 7.204 -8.900 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.534 6.608 -7.292 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.145 7.714 -10.471 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.655 7.019 -6.298 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.345 8.800 -10.561 1.00 0.00 H new ATOM 0 HE2 TYR A 73 5.854 8.110 -6.383 1.00 0.00 H new ATOM 0 HH TYR A 73 7.365 9.130 -7.633 1.00 0.00 H new ATOM 661 N GLU A 74 3.148 4.096 -7.089 1.00 0.00 N ATOM 662 CA GLU A 74 4.281 3.392 -6.500 1.00 0.00 C ATOM 663 C GLU A 74 3.810 2.360 -5.480 1.00 0.00 C ATOM 664 O GLU A 74 3.167 2.700 -4.486 1.00 0.00 O ATOM 665 CB GLU A 74 5.235 4.385 -5.833 1.00 0.00 C ATOM 666 CG GLU A 74 6.356 3.721 -5.051 1.00 0.00 C ATOM 667 CD GLU A 74 7.237 4.723 -4.329 1.00 0.00 C ATOM 668 OE1 GLU A 74 7.594 5.750 -4.942 1.00 0.00 O ATOM 669 OE2 GLU A 74 7.569 4.478 -3.150 1.00 0.00 O ATOM 0 H GLU A 74 2.384 4.285 -6.440 1.00 0.00 H new ATOM 0 HA GLU A 74 4.809 2.872 -7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.669 5.029 -6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.666 5.027 -5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.928 3.030 -4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.968 3.129 -5.732 1.00 0.00 H new ATOM 676 N LEU A 75 4.133 1.096 -5.734 1.00 0.00 N ATOM 677 CA LEU A 75 3.743 0.012 -4.839 1.00 0.00 C ATOM 678 C LEU A 75 4.947 -0.849 -4.470 1.00 0.00 C ATOM 679 O LEU A 75 5.634 -1.382 -5.342 1.00 0.00 O ATOM 680 CB LEU A 75 2.664 -0.852 -5.494 1.00 0.00 C ATOM 681 CG LEU A 75 2.011 -1.905 -4.596 1.00 0.00 C ATOM 682 CD1 LEU A 75 1.616 -1.296 -3.260 1.00 0.00 C ATOM 683 CD2 LEU A 75 0.800 -2.515 -5.285 1.00 0.00 C ATOM 0 H LEU A 75 4.664 0.797 -6.552 1.00 0.00 H new ATOM 0 HA LEU A 75 3.342 0.453 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.883 -0.195 -5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.104 -1.358 -6.353 1.00 0.00 H new ATOM 0 HG LEU A 75 2.736 -2.697 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.153 -2.060 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.503 -0.907 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.908 -0.484 -3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.348 -3.262 -4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.072 -1.733 -5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.111 -2.988 -6.216 1.00 0.00 H new ATOM 695 N THR A 76 5.195 -0.984 -3.171 1.00 0.00 N ATOM 696 CA THR A 76 6.315 -1.781 -2.686 1.00 0.00 C ATOM 697 C THR A 76 5.945 -2.529 -1.410 1.00 0.00 C ATOM 698 O THR A 76 5.623 -1.917 -0.391 1.00 0.00 O ATOM 699 CB THR A 76 7.552 -0.906 -2.415 1.00 0.00 C ATOM 700 OG1 THR A 76 8.189 -0.561 -3.650 1.00 0.00 O ATOM 701 CG2 THR A 76 8.541 -1.630 -1.514 1.00 0.00 C ATOM 0 H THR A 76 4.635 -0.552 -2.436 1.00 0.00 H new ATOM 0 HA THR A 76 6.554 -2.500 -3.469 1.00 0.00 H new ATOM 0 HB THR A 76 7.223 0.002 -1.910 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.635 -0.863 -4.400 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.407 -0.992 -1.337 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.063 -1.865 -0.563 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.863 -2.553 -1.995 1.00 0.00 H new ATOM 709 N VAL A 77 5.994 -3.856 -1.471 1.00 0.00 N ATOM 710 CA VAL A 77 5.666 -4.687 -0.319 1.00 0.00 C ATOM 711 C VAL A 77 6.808 -4.701 0.691 1.00 0.00 C ATOM 712 O VAL A 77 7.969 -4.897 0.329 1.00 0.00 O ATOM 713 CB VAL A 77 5.352 -6.134 -0.743 1.00 0.00 C ATOM 714 CG1 VAL A 77 5.084 -7.002 0.478 1.00 0.00 C ATOM 715 CG2 VAL A 77 4.169 -6.164 -1.699 1.00 0.00 C ATOM 0 H VAL A 77 6.258 -4.379 -2.306 1.00 0.00 H new ATOM 0 HA VAL A 77 4.781 -4.252 0.144 1.00 0.00 H new ATOM 0 HB VAL A 77 6.220 -6.539 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.864 -8.021 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.963 -7.005 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.232 -6.602 1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.961 -7.194 -1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.293 -5.741 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.404 -5.578 -2.587 1.00 0.00 H new ATOM 725 N LEU A 78 6.471 -4.494 1.959 1.00 0.00 N ATOM 726 CA LEU A 78 7.468 -4.483 3.024 1.00 0.00 C ATOM 727 C LEU A 78 7.845 -5.904 3.431 1.00 0.00 C ATOM 728 O LEU A 78 6.978 -6.735 3.702 1.00 0.00 O ATOM 729 CB LEU A 78 6.940 -3.716 4.237 1.00 0.00 C ATOM 730 CG LEU A 78 6.935 -2.192 4.118 1.00 0.00 C ATOM 731 CD1 LEU A 78 5.977 -1.580 5.127 1.00 0.00 C ATOM 732 CD2 LEU A 78 8.340 -1.638 4.309 1.00 0.00 C ATOM 0 H LEU A 78 5.515 -4.331 2.275 1.00 0.00 H new ATOM 0 HA LEU A 78 8.360 -3.983 2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.921 -4.048 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.540 -3.991 5.105 1.00 0.00 H new ATOM 0 HG LEU A 78 6.594 -1.926 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.987 -0.495 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.969 -1.952 4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.287 -1.854 6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.318 -0.552 4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.709 -1.915 5.297 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.001 -2.050 3.546 1.00 0.00 H new ATOM 744 N LYS A 79 9.145 -6.177 3.473 1.00 0.00 N ATOM 745 CA LYS A 79 9.639 -7.496 3.851 1.00 0.00 C ATOM 746 C LYS A 79 10.870 -7.381 4.744 1.00 0.00 C ATOM 747 O LYS A 79 11.645 -6.431 4.630 1.00 0.00 O ATOM 748 CB LYS A 79 9.976 -8.313 2.602 1.00 0.00 C ATOM 749 CG LYS A 79 8.831 -8.407 1.609 1.00 0.00 C ATOM 750 CD LYS A 79 9.214 -9.234 0.393 1.00 0.00 C ATOM 751 CE LYS A 79 8.057 -9.353 -0.587 1.00 0.00 C ATOM 752 NZ LYS A 79 6.994 -10.267 -0.083 1.00 0.00 N ATOM 0 H LYS A 79 9.876 -5.502 3.250 1.00 0.00 H new ATOM 0 HA LYS A 79 8.853 -8.005 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.839 -7.866 2.108 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.267 -9.319 2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.963 -8.853 2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.540 -7.406 1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.069 -8.776 -0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.526 -10.229 0.712 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.631 -8.366 -0.768 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.428 -9.720 -1.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.208 -10.295 -0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.385 -11.224 0.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.645 -9.922 0.834 1.00 0.00 H new ATOM 766 N ASP A 80 11.044 -8.354 5.631 1.00 0.00 N ATOM 767 CA ASP A 80 12.183 -8.363 6.542 1.00 0.00 C ATOM 768 C ASP A 80 13.498 -8.324 5.769 1.00 0.00 C ATOM 769 O ASP A 80 13.505 -8.245 4.541 1.00 0.00 O ATOM 770 CB ASP A 80 12.139 -9.603 7.436 1.00 0.00 C ATOM 771 CG ASP A 80 12.787 -9.368 8.786 1.00 0.00 C ATOM 772 OD1 ASP A 80 12.199 -8.634 9.608 1.00 0.00 O ATOM 773 OD2 ASP A 80 13.883 -9.918 9.021 1.00 0.00 O ATOM 0 H ASP A 80 10.411 -9.147 5.739 1.00 0.00 H new ATOM 0 HA ASP A 80 12.123 -7.472 7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.102 -9.905 7.582 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.644 -10.428 6.933 1.00 0.00 H new ATOM 778 N ARG A 81 14.608 -8.381 6.497 1.00 0.00 N ATOM 779 CA ARG A 81 15.929 -8.350 5.880 1.00 0.00 C ATOM 780 C ARG A 81 16.721 -9.607 6.228 1.00 0.00 C ATOM 781 O ARG A 81 17.380 -10.196 5.371 1.00 0.00 O ATOM 782 CB ARG A 81 16.698 -7.107 6.333 1.00 0.00 C ATOM 783 CG ARG A 81 16.990 -7.082 7.824 1.00 0.00 C ATOM 784 CD ARG A 81 17.092 -5.658 8.348 1.00 0.00 C ATOM 785 NE ARG A 81 15.862 -4.902 8.122 1.00 0.00 N ATOM 786 CZ ARG A 81 15.595 -3.741 8.709 1.00 0.00 C ATOM 787 NH1 ARG A 81 16.466 -3.204 9.552 1.00 0.00 N ATOM 788 NH2 ARG A 81 14.454 -3.114 8.452 1.00 0.00 N ATOM 0 H ARG A 81 14.619 -8.449 7.515 1.00 0.00 H new ATOM 0 HA ARG A 81 15.797 -8.313 4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.639 -7.053 5.786 1.00 0.00 H new ATOM 0 HB3 ARG A 81 16.124 -6.219 6.069 1.00 0.00 H new ATOM 0 HG2 ARG A 81 16.202 -7.612 8.359 1.00 0.00 H new ATOM 0 HG3 ARG A 81 17.922 -7.611 8.022 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.313 -5.679 9.415 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.924 -5.151 7.860 1.00 0.00 H new ATOM 0 HE ARG A 81 15.171 -5.287 7.478 1.00 0.00 H new ATOM 0 HH11 ARG A 81 17.344 -3.683 9.751 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.258 -2.312 10.001 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.782 -3.524 7.803 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.249 -2.222 8.903 1.00 0.00 H new ATOM 802 N LEU A 82 16.653 -10.011 7.492 1.00 0.00 N ATOM 803 CA LEU A 82 17.364 -11.198 7.955 1.00 0.00 C ATOM 804 C LEU A 82 16.717 -12.467 7.410 1.00 0.00 C ATOM 805 O LEU A 82 17.399 -13.454 7.130 1.00 0.00 O ATOM 806 CB LEU A 82 17.387 -11.239 9.483 1.00 0.00 C ATOM 807 CG LEU A 82 18.405 -10.324 10.165 1.00 0.00 C ATOM 808 CD1 LEU A 82 17.817 -8.938 10.378 1.00 0.00 C ATOM 809 CD2 LEU A 82 18.859 -10.923 11.488 1.00 0.00 C ATOM 0 H LEU A 82 16.113 -9.534 8.214 1.00 0.00 H new ATOM 0 HA LEU A 82 18.388 -11.146 7.584 1.00 0.00 H new ATOM 0 HB2 LEU A 82 16.393 -10.979 9.848 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.584 -12.264 9.796 1.00 0.00 H new ATOM 0 HG LEU A 82 19.275 -10.231 9.515 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.555 -8.300 10.864 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.543 -8.507 9.415 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.930 -9.012 11.008 1.00 0.00 H new ATOM 0 HD21 LEU A 82 19.583 -10.258 11.959 1.00 0.00 H new ATOM 0 HD22 LEU A 82 17.999 -11.047 12.146 1.00 0.00 H new ATOM 0 HD23 LEU A 82 19.321 -11.894 11.308 1.00 0.00 H new ATOM 821 N THR A 83 15.397 -12.435 7.259 1.00 0.00 N ATOM 822 CA THR A 83 14.657 -13.582 6.747 1.00 0.00 C ATOM 823 C THR A 83 14.197 -13.343 5.313 1.00 0.00 C ATOM 824 O THR A 83 14.132 -14.272 4.509 1.00 0.00 O ATOM 825 CB THR A 83 13.430 -13.896 7.623 1.00 0.00 C ATOM 826 OG1 THR A 83 12.542 -12.772 7.643 1.00 0.00 O ATOM 827 CG2 THR A 83 13.852 -14.240 9.043 1.00 0.00 C ATOM 0 H THR A 83 14.818 -11.626 7.484 1.00 0.00 H new ATOM 0 HA THR A 83 15.337 -14.433 6.770 1.00 0.00 H new ATOM 0 HB THR A 83 12.917 -14.757 7.195 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.763 -12.980 8.201 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.968 -14.458 9.643 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.504 -15.113 9.027 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.387 -13.396 9.478 1.00 0.00 H new ATOM 835 N GLY A 84 13.879 -12.091 4.999 1.00 0.00 N ATOM 836 CA GLY A 84 13.429 -11.754 3.662 1.00 0.00 C ATOM 837 C GLY A 84 12.046 -12.297 3.360 1.00 0.00 C ATOM 838 O GLY A 84 11.693 -12.509 2.199 1.00 0.00 O ATOM 0 H GLY A 84 13.925 -11.304 5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.423 -10.670 3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.138 -12.148 2.934 1.00 0.00 H new ATOM 842 N LEU A 85 11.261 -12.525 4.407 1.00 0.00 N ATOM 843 CA LEU A 85 9.909 -13.049 4.250 1.00 0.00 C ATOM 844 C LEU A 85 8.887 -11.917 4.208 1.00 0.00 C ATOM 845 O LEU A 85 9.214 -10.762 4.481 1.00 0.00 O ATOM 846 CB LEU A 85 9.576 -14.009 5.393 1.00 0.00 C ATOM 847 CG LEU A 85 10.437 -15.270 5.483 1.00 0.00 C ATOM 848 CD1 LEU A 85 10.302 -15.912 6.855 1.00 0.00 C ATOM 849 CD2 LEU A 85 10.053 -16.257 4.390 1.00 0.00 C ATOM 0 H LEU A 85 11.538 -12.355 5.374 1.00 0.00 H new ATOM 0 HA LEU A 85 9.864 -13.590 3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.663 -13.466 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.533 -14.311 5.295 1.00 0.00 H new ATOM 0 HG LEU A 85 11.479 -14.986 5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.922 -16.808 6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 85 10.627 -15.207 7.620 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.261 -16.182 7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.676 -17.148 4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.005 -16.535 4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.203 -15.795 3.414 1.00 0.00 H new ATOM 861 N HIS A 86 7.649 -12.257 3.865 1.00 0.00 N ATOM 862 CA HIS A 86 6.578 -11.269 3.790 1.00 0.00 C ATOM 863 C HIS A 86 6.040 -10.944 5.181 1.00 0.00 C ATOM 864 O HIS A 86 5.156 -11.631 5.692 1.00 0.00 O ATOM 865 CB HIS A 86 5.446 -11.780 2.899 1.00 0.00 C ATOM 866 CG HIS A 86 4.540 -10.696 2.401 1.00 0.00 C ATOM 867 ND1 HIS A 86 4.044 -9.697 3.213 1.00 0.00 N ATOM 868 CD2 HIS A 86 4.041 -10.457 1.166 1.00 0.00 C ATOM 869 CE1 HIS A 86 3.279 -8.892 2.498 1.00 0.00 C ATOM 870 NE2 HIS A 86 3.261 -9.330 1.253 1.00 0.00 N ATOM 0 H HIS A 86 7.362 -13.208 3.635 1.00 0.00 H new ATOM 0 HA HIS A 86 6.988 -10.357 3.356 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.875 -12.304 2.045 1.00 0.00 H new ATOM 0 HB3 HIS A 86 4.856 -12.508 3.456 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.222 -11.043 0.277 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.757 -8.023 2.869 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.751 -8.901 0.481 1.00 0.00 H new ATOM 879 N LYS A 87 6.580 -9.893 5.788 1.00 0.00 N ATOM 880 CA LYS A 87 6.155 -9.476 7.119 1.00 0.00 C ATOM 881 C LYS A 87 4.637 -9.351 7.191 1.00 0.00 C ATOM 882 O LYS A 87 4.011 -9.812 8.144 1.00 0.00 O ATOM 883 CB LYS A 87 6.806 -8.141 7.490 1.00 0.00 C ATOM 884 CG LYS A 87 8.324 -8.171 7.442 1.00 0.00 C ATOM 885 CD LYS A 87 8.918 -6.811 7.770 1.00 0.00 C ATOM 886 CE LYS A 87 8.557 -5.776 6.715 1.00 0.00 C ATOM 887 NZ LYS A 87 9.560 -4.677 6.650 1.00 0.00 N ATOM 0 H LYS A 87 7.313 -9.314 5.379 1.00 0.00 H new ATOM 0 HA LYS A 87 6.473 -10.238 7.830 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.444 -7.369 6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.488 -7.858 8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.697 -8.912 8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.652 -8.483 6.450 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.557 -6.480 8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.002 -6.894 7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.485 -6.260 5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.575 -5.359 6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.070 -3.760 6.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.182 -4.725 7.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.130 -4.778 5.786 1.00 0.00 H new ATOM 901 N GLY A 88 4.050 -8.725 6.175 1.00 0.00 N ATOM 902 CA GLY A 88 2.609 -8.552 6.142 1.00 0.00 C ATOM 903 C GLY A 88 2.203 -7.099 5.993 1.00 0.00 C ATOM 904 O GLY A 88 1.256 -6.644 6.636 1.00 0.00 O ATOM 0 H GLY A 88 4.547 -8.335 5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.196 -9.128 5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.177 -8.955 7.058 1.00 0.00 H new ATOM 908 N CYS A 89 2.920 -6.370 5.146 1.00 0.00 N ATOM 909 CA CYS A 89 2.631 -4.959 4.916 1.00 0.00 C ATOM 910 C CYS A 89 3.151 -4.512 3.554 1.00 0.00 C ATOM 911 O CYS A 89 3.975 -5.189 2.940 1.00 0.00 O ATOM 912 CB CYS A 89 3.254 -4.103 6.020 1.00 0.00 C ATOM 913 SG CYS A 89 3.100 -4.809 7.677 1.00 0.00 S ATOM 0 H CYS A 89 3.706 -6.733 4.607 1.00 0.00 H new ATOM 0 HA CYS A 89 1.549 -4.828 4.932 1.00 0.00 H new ATOM 0 HB2 CYS A 89 4.310 -3.954 5.797 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.785 -3.119 6.011 1.00 0.00 H new ATOM 0 HG CYS A 89 2.068 -5.598 7.718 1.00 0.00 H new ATOM 919 N ALA A 90 2.662 -3.368 3.087 1.00 0.00 N ATOM 920 CA ALA A 90 3.077 -2.830 1.797 1.00 0.00 C ATOM 921 C ALA A 90 2.770 -1.340 1.699 1.00 0.00 C ATOM 922 O ALA A 90 1.761 -0.868 2.223 1.00 0.00 O ATOM 923 CB ALA A 90 2.397 -3.587 0.666 1.00 0.00 C ATOM 0 H ALA A 90 1.978 -2.796 3.582 1.00 0.00 H new ATOM 0 HA ALA A 90 4.156 -2.958 1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.716 -3.175 -0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.671 -4.641 0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.316 -3.489 0.761 1.00 0.00 H new ATOM 929 N PHE A 91 3.646 -0.602 1.025 1.00 0.00 N ATOM 930 CA PHE A 91 3.469 0.836 0.860 1.00 0.00 C ATOM 931 C PHE A 91 2.864 1.156 -0.504 1.00 0.00 C ATOM 932 O PHE A 91 3.487 0.926 -1.541 1.00 0.00 O ATOM 933 CB PHE A 91 4.809 1.557 1.019 1.00 0.00 C ATOM 934 CG PHE A 91 5.243 1.709 2.449 1.00 0.00 C ATOM 935 CD1 PHE A 91 4.409 2.306 3.380 1.00 0.00 C ATOM 936 CD2 PHE A 91 6.485 1.253 2.862 1.00 0.00 C ATOM 937 CE1 PHE A 91 4.806 2.447 4.696 1.00 0.00 C ATOM 938 CE2 PHE A 91 6.887 1.391 4.177 1.00 0.00 C ATOM 939 CZ PHE A 91 6.046 1.988 5.095 1.00 0.00 C ATOM 0 H PHE A 91 4.486 -0.976 0.584 1.00 0.00 H new ATOM 0 HA PHE A 91 2.783 1.184 1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.575 1.008 0.472 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.737 2.544 0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.438 2.665 3.074 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.146 0.784 2.148 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.147 2.916 5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.858 1.032 4.486 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.357 2.096 6.124 1.00 0.00 H new ATOM 949 N LEU A 92 1.647 1.688 -0.493 1.00 0.00 N ATOM 950 CA LEU A 92 0.956 2.040 -1.729 1.00 0.00 C ATOM 951 C LEU A 92 0.932 3.553 -1.927 1.00 0.00 C ATOM 952 O LEU A 92 0.807 4.314 -0.967 1.00 0.00 O ATOM 953 CB LEU A 92 -0.473 1.494 -1.711 1.00 0.00 C ATOM 954 CG LEU A 92 -1.437 2.103 -2.729 1.00 0.00 C ATOM 955 CD1 LEU A 92 -1.099 1.631 -4.134 1.00 0.00 C ATOM 956 CD2 LEU A 92 -2.875 1.751 -2.378 1.00 0.00 C ATOM 0 H LEU A 92 1.119 1.885 0.357 1.00 0.00 H new ATOM 0 HA LEU A 92 1.499 1.591 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.431 0.418 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.886 1.646 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.331 3.187 -2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.796 2.075 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.083 1.934 -4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.176 0.545 -4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.548 2.193 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.995 0.668 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.114 2.140 -1.388 1.00 0.00 H new ATOM 968 N THR A 93 1.050 3.982 -3.180 1.00 0.00 N ATOM 969 CA THR A 93 1.041 5.403 -3.504 1.00 0.00 C ATOM 970 C THR A 93 0.086 5.698 -4.655 1.00 0.00 C ATOM 971 O THR A 93 0.211 5.128 -5.740 1.00 0.00 O ATOM 972 CB THR A 93 2.449 5.902 -3.880 1.00 0.00 C ATOM 973 OG1 THR A 93 3.382 5.559 -2.849 1.00 0.00 O ATOM 974 CG2 THR A 93 2.450 7.409 -4.090 1.00 0.00 C ATOM 0 H THR A 93 1.153 3.366 -3.986 1.00 0.00 H new ATOM 0 HA THR A 93 0.703 5.929 -2.611 1.00 0.00 H new ATOM 0 HB THR A 93 2.745 5.420 -4.812 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.275 5.878 -3.096 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.455 7.739 -4.355 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.760 7.665 -4.895 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.136 7.905 -3.171 1.00 0.00 H new ATOM 982 N TYR A 94 -0.867 6.590 -4.413 1.00 0.00 N ATOM 983 CA TYR A 94 -1.845 6.959 -5.430 1.00 0.00 C ATOM 984 C TYR A 94 -1.414 8.223 -6.167 1.00 0.00 C ATOM 985 O TYR A 94 -1.189 9.267 -5.554 1.00 0.00 O ATOM 986 CB TYR A 94 -3.220 7.171 -4.792 1.00 0.00 C ATOM 987 CG TYR A 94 -4.057 5.914 -4.725 1.00 0.00 C ATOM 988 CD1 TYR A 94 -4.698 5.422 -5.856 1.00 0.00 C ATOM 989 CD2 TYR A 94 -4.207 5.218 -3.532 1.00 0.00 C ATOM 990 CE1 TYR A 94 -5.464 4.274 -5.799 1.00 0.00 C ATOM 991 CE2 TYR A 94 -4.970 4.069 -3.467 1.00 0.00 C ATOM 992 CZ TYR A 94 -5.597 3.601 -4.603 1.00 0.00 C ATOM 993 OH TYR A 94 -6.359 2.457 -4.542 1.00 0.00 O ATOM 0 H TYR A 94 -0.984 7.071 -3.521 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.908 6.144 -6.151 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.087 7.563 -3.784 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.761 7.928 -5.359 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.595 5.946 -6.795 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.718 5.582 -2.640 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.956 3.905 -6.687 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.075 3.540 -2.532 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.599 2.175 -5.449 1.00 0.00 H new ATOM 1003 N CYS A 95 -1.301 8.120 -7.487 1.00 0.00 N ATOM 1004 CA CYS A 95 -0.896 9.254 -8.310 1.00 0.00 C ATOM 1005 C CYS A 95 -1.450 10.560 -7.747 1.00 0.00 C ATOM 1006 O CYS A 95 -0.767 11.583 -7.742 1.00 0.00 O ATOM 1007 CB CYS A 95 -1.375 9.062 -9.750 1.00 0.00 C ATOM 1008 SG CYS A 95 -3.162 8.838 -9.910 1.00 0.00 S ATOM 0 H CYS A 95 -1.484 7.263 -8.010 1.00 0.00 H new ATOM 0 HA CYS A 95 0.193 9.308 -8.301 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.074 9.928 -10.340 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.871 8.195 -10.176 1.00 0.00 H new ATOM 0 HG CYS A 95 -3.459 7.584 -9.738 1.00 0.00 H new ATOM 1014 N ALA A 96 -2.692 10.515 -7.276 1.00 0.00 N ATOM 1015 CA ALA A 96 -3.337 11.694 -6.711 1.00 0.00 C ATOM 1016 C ALA A 96 -3.674 11.483 -5.239 1.00 0.00 C ATOM 1017 O ALA A 96 -3.652 10.356 -4.743 1.00 0.00 O ATOM 1018 CB ALA A 96 -4.593 12.037 -7.498 1.00 0.00 C ATOM 0 H ALA A 96 -3.271 9.675 -7.274 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.639 12.528 -6.781 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.064 12.919 -7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.328 12.240 -8.536 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.288 11.198 -7.458 1.00 0.00 H new ATOM 1024 N ARG A 97 -3.985 12.573 -4.546 1.00 0.00 N ATOM 1025 CA ARG A 97 -4.324 12.506 -3.129 1.00 0.00 C ATOM 1026 C ARG A 97 -5.741 11.974 -2.935 1.00 0.00 C ATOM 1027 O ARG A 97 -6.007 11.216 -2.002 1.00 0.00 O ATOM 1028 CB ARG A 97 -4.194 13.888 -2.486 1.00 0.00 C ATOM 1029 CG ARG A 97 -5.080 14.944 -3.128 1.00 0.00 C ATOM 1030 CD ARG A 97 -5.204 16.177 -2.247 1.00 0.00 C ATOM 1031 NE ARG A 97 -5.894 17.270 -2.928 1.00 0.00 N ATOM 1032 CZ ARG A 97 -5.369 17.954 -3.938 1.00 0.00 C ATOM 1033 NH1 ARG A 97 -4.155 17.661 -4.382 1.00 0.00 N ATOM 1034 NH2 ARG A 97 -6.059 18.935 -4.506 1.00 0.00 N ATOM 0 H ARG A 97 -4.009 13.513 -4.942 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.627 11.821 -2.646 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.443 13.812 -1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.155 14.212 -2.547 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.667 15.227 -4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.070 14.527 -3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.744 15.919 -1.336 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.210 16.508 -1.945 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.830 17.521 -2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -3.621 16.908 -3.948 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -3.755 18.188 -5.158 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.993 19.164 -4.167 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.655 19.460 -5.282 1.00 0.00 H new ATOM 1048 N ASP A 98 -6.646 12.378 -3.820 1.00 0.00 N ATOM 1049 CA ASP A 98 -8.035 11.941 -3.746 1.00 0.00 C ATOM 1050 C ASP A 98 -8.134 10.422 -3.848 1.00 0.00 C ATOM 1051 O ASP A 98 -8.716 9.769 -2.982 1.00 0.00 O ATOM 1052 CB ASP A 98 -8.857 12.594 -4.859 1.00 0.00 C ATOM 1053 CG ASP A 98 -9.116 14.065 -4.600 1.00 0.00 C ATOM 1054 OD1 ASP A 98 -9.802 14.380 -3.606 1.00 0.00 O ATOM 1055 OD2 ASP A 98 -8.634 14.901 -5.393 1.00 0.00 O ATOM 0 H ASP A 98 -6.442 13.007 -4.597 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.436 12.249 -2.780 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.332 12.482 -5.808 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.809 12.072 -4.958 1.00 0.00 H new ATOM 1060 N SER A 99 -7.562 9.867 -4.911 1.00 0.00 N ATOM 1061 CA SER A 99 -7.590 8.426 -5.129 1.00 0.00 C ATOM 1062 C SER A 99 -7.233 7.676 -3.849 1.00 0.00 C ATOM 1063 O SER A 99 -7.815 6.636 -3.543 1.00 0.00 O ATOM 1064 CB SER A 99 -6.621 8.038 -6.247 1.00 0.00 C ATOM 1065 OG SER A 99 -7.129 8.414 -7.516 1.00 0.00 O ATOM 0 H SER A 99 -7.073 10.394 -5.635 1.00 0.00 H new ATOM 0 HA SER A 99 -8.602 8.148 -5.423 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.657 8.519 -6.080 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.448 6.962 -6.225 1.00 0.00 H new ATOM 0 HG SER A 99 -6.490 8.157 -8.213 1.00 0.00 H new ATOM 1071 N ALA A 100 -6.272 8.213 -3.105 1.00 0.00 N ATOM 1072 CA ALA A 100 -5.837 7.597 -1.857 1.00 0.00 C ATOM 1073 C ALA A 100 -6.915 7.713 -0.784 1.00 0.00 C ATOM 1074 O ALA A 100 -7.359 6.709 -0.225 1.00 0.00 O ATOM 1075 CB ALA A 100 -4.541 8.233 -1.378 1.00 0.00 C ATOM 0 H ALA A 100 -5.780 9.074 -3.345 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.660 6.538 -2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.228 7.763 -0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.767 8.093 -2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.698 9.299 -1.213 1.00 0.00 H new ATOM 1081 N LEU A 101 -7.330 8.942 -0.500 1.00 0.00 N ATOM 1082 CA LEU A 101 -8.356 9.189 0.508 1.00 0.00 C ATOM 1083 C LEU A 101 -9.498 8.187 0.379 1.00 0.00 C ATOM 1084 O LEU A 101 -9.916 7.575 1.362 1.00 0.00 O ATOM 1085 CB LEU A 101 -8.894 10.615 0.377 1.00 0.00 C ATOM 1086 CG LEU A 101 -7.865 11.737 0.516 1.00 0.00 C ATOM 1087 CD1 LEU A 101 -8.409 13.035 -0.060 1.00 0.00 C ATOM 1088 CD2 LEU A 101 -7.471 11.922 1.974 1.00 0.00 C ATOM 0 H LEU A 101 -6.972 9.783 -0.953 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.902 9.068 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.378 10.711 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -9.666 10.761 1.133 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.974 11.459 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.663 13.822 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.640 12.896 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.315 13.319 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.738 12.725 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.354 12.177 2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.039 10.997 2.354 1.00 0.00 H new ATOM 1100 N LYS A 102 -9.999 8.023 -0.841 1.00 0.00 N ATOM 1101 CA LYS A 102 -11.092 7.093 -1.101 1.00 0.00 C ATOM 1102 C LYS A 102 -10.681 5.663 -0.765 1.00 0.00 C ATOM 1103 O LYS A 102 -11.163 5.081 0.206 1.00 0.00 O ATOM 1104 CB LYS A 102 -11.524 7.179 -2.566 1.00 0.00 C ATOM 1105 CG LYS A 102 -11.889 8.585 -3.011 1.00 0.00 C ATOM 1106 CD LYS A 102 -12.279 8.622 -4.479 1.00 0.00 C ATOM 1107 CE LYS A 102 -12.592 10.038 -4.937 1.00 0.00 C ATOM 1108 NZ LYS A 102 -14.003 10.416 -4.646 1.00 0.00 N ATOM 0 H LYS A 102 -9.665 8.522 -1.666 1.00 0.00 H new ATOM 0 HA LYS A 102 -11.932 7.371 -0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.717 6.805 -3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.381 6.523 -2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.715 8.956 -2.405 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.044 9.252 -2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.468 8.214 -5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.149 7.985 -4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.919 10.737 -4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.407 10.123 -6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.177 11.388 -4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.646 9.764 -5.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.173 10.360 -3.622 1.00 0.00 H new ATOM 1122 N ALA A 103 -9.786 5.104 -1.573 1.00 0.00 N ATOM 1123 CA ALA A 103 -9.308 3.744 -1.358 1.00 0.00 C ATOM 1124 C ALA A 103 -8.998 3.497 0.114 1.00 0.00 C ATOM 1125 O ALA A 103 -9.065 2.363 0.589 1.00 0.00 O ATOM 1126 CB ALA A 103 -8.076 3.477 -2.210 1.00 0.00 C ATOM 0 H ALA A 103 -9.378 5.572 -2.382 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.099 3.056 -1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.730 2.458 -2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.327 3.603 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.287 4.178 -1.939 1.00 0.00 H new ATOM 1132 N GLN A 104 -8.659 4.564 0.830 1.00 0.00 N ATOM 1133 CA GLN A 104 -8.338 4.461 2.249 1.00 0.00 C ATOM 1134 C GLN A 104 -9.596 4.214 3.075 1.00 0.00 C ATOM 1135 O GLN A 104 -9.697 3.216 3.789 1.00 0.00 O ATOM 1136 CB GLN A 104 -7.640 5.734 2.729 1.00 0.00 C ATOM 1137 CG GLN A 104 -7.389 5.762 4.228 1.00 0.00 C ATOM 1138 CD GLN A 104 -7.339 7.171 4.785 1.00 0.00 C ATOM 1139 OE1 GLN A 104 -8.102 7.523 5.685 1.00 0.00 O ATOM 1140 NE2 GLN A 104 -6.437 7.987 4.252 1.00 0.00 N ATOM 0 H GLN A 104 -8.599 5.509 0.451 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.665 3.614 2.383 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.688 5.835 2.208 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.247 6.597 2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -8.175 5.203 4.735 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.448 5.256 4.445 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.824 7.654 3.508 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.357 8.947 4.587 1.00 0.00 H new ATOM 1149 N SER A 105 -10.554 5.131 2.975 1.00 0.00 N ATOM 1150 CA SER A 105 -11.804 5.015 3.716 1.00 0.00 C ATOM 1151 C SER A 105 -12.738 4.007 3.053 1.00 0.00 C ATOM 1152 O SER A 105 -13.798 3.682 3.586 1.00 0.00 O ATOM 1153 CB SER A 105 -12.492 6.378 3.813 1.00 0.00 C ATOM 1154 OG SER A 105 -13.444 6.395 4.862 1.00 0.00 O ATOM 0 H SER A 105 -10.488 5.962 2.388 1.00 0.00 H new ATOM 0 HA SER A 105 -11.571 4.661 4.720 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.746 7.154 3.982 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.983 6.609 2.868 1.00 0.00 H new ATOM 0 HG SER A 105 -13.966 5.566 4.844 1.00 0.00 H new ATOM 1160 N ALA A 106 -12.335 3.516 1.886 1.00 0.00 N ATOM 1161 CA ALA A 106 -13.133 2.543 1.149 1.00 0.00 C ATOM 1162 C ALA A 106 -12.608 1.128 1.364 1.00 0.00 C ATOM 1163 O ALA A 106 -13.327 0.150 1.154 1.00 0.00 O ATOM 1164 CB ALA A 106 -13.146 2.885 -0.333 1.00 0.00 C ATOM 0 H ALA A 106 -11.460 3.776 1.430 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.154 2.585 1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.745 2.150 -0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.576 3.877 -0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -12.126 2.873 -0.718 1.00 0.00 H new ATOM 1170 N LEU A 107 -11.351 1.025 1.782 1.00 0.00 N ATOM 1171 CA LEU A 107 -10.730 -0.273 2.024 1.00 0.00 C ATOM 1172 C LEU A 107 -10.492 -0.493 3.514 1.00 0.00 C ATOM 1173 O LEU A 107 -10.696 -1.592 4.031 1.00 0.00 O ATOM 1174 CB LEU A 107 -9.406 -0.376 1.264 1.00 0.00 C ATOM 1175 CG LEU A 107 -9.499 -0.291 -0.260 1.00 0.00 C ATOM 1176 CD1 LEU A 107 -8.126 -0.047 -0.866 1.00 0.00 C ATOM 1177 CD2 LEU A 107 -10.117 -1.560 -0.829 1.00 0.00 C ATOM 0 H LEU A 107 -10.742 1.824 1.960 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.409 -1.046 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.747 0.419 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.932 -1.321 1.527 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.142 0.550 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.212 0.011 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.721 0.890 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.459 -0.866 -0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.175 -1.481 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.500 -2.417 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.119 -1.691 -0.421 1.00 0.00 H new ATOM 1189 N HIS A 108 -10.060 0.560 4.201 1.00 0.00 N ATOM 1190 CA HIS A 108 -9.797 0.483 5.634 1.00 0.00 C ATOM 1191 C HIS A 108 -10.983 -0.130 6.372 1.00 0.00 C ATOM 1192 O HIS A 108 -11.993 0.535 6.602 1.00 0.00 O ATOM 1193 CB HIS A 108 -9.496 1.873 6.194 1.00 0.00 C ATOM 1194 CG HIS A 108 -9.002 1.855 7.608 1.00 0.00 C ATOM 1195 ND1 HIS A 108 -7.717 1.489 7.951 1.00 0.00 N ATOM 1196 CD2 HIS A 108 -9.627 2.163 8.768 1.00 0.00 C ATOM 1197 CE1 HIS A 108 -7.574 1.570 9.262 1.00 0.00 C ATOM 1198 NE2 HIS A 108 -8.718 1.977 9.782 1.00 0.00 N ATOM 0 H HIS A 108 -9.885 1.476 3.789 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.928 -0.157 5.785 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -8.750 2.356 5.563 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.399 2.480 6.141 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.649 2.493 8.877 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -6.674 1.342 9.815 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -8.898 2.129 10.775 1.00 0.00 H new ATOM 1206 N GLU A 109 -10.853 -1.401 6.739 1.00 0.00 N ATOM 1207 CA GLU A 109 -11.916 -2.103 7.449 1.00 0.00 C ATOM 1208 C GLU A 109 -13.165 -2.220 6.581 1.00 0.00 C ATOM 1209 O GLU A 109 -14.288 -2.111 7.073 1.00 0.00 O ATOM 1210 CB GLU A 109 -12.254 -1.377 8.753 1.00 0.00 C ATOM 1211 CG GLU A 109 -11.046 -1.124 9.639 1.00 0.00 C ATOM 1212 CD GLU A 109 -11.403 -1.083 11.113 1.00 0.00 C ATOM 1213 OE1 GLU A 109 -12.041 -0.100 11.542 1.00 0.00 O ATOM 1214 OE2 GLU A 109 -11.042 -2.035 11.836 1.00 0.00 O ATOM 0 H GLU A 109 -10.023 -1.965 6.557 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.561 -3.107 7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.727 -0.424 8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.984 -1.966 9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.306 -1.906 9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.583 -0.179 9.355 1.00 0.00 H new ATOM 1221 N GLN A 110 -12.961 -2.443 5.287 1.00 0.00 N ATOM 1222 CA GLN A 110 -14.070 -2.574 4.350 1.00 0.00 C ATOM 1223 C GLN A 110 -13.956 -3.867 3.548 1.00 0.00 C ATOM 1224 O GLN A 110 -14.938 -4.586 3.365 1.00 0.00 O ATOM 1225 CB GLN A 110 -14.110 -1.374 3.402 1.00 0.00 C ATOM 1226 CG GLN A 110 -14.931 -0.209 3.931 1.00 0.00 C ATOM 1227 CD GLN A 110 -14.211 0.568 5.016 1.00 0.00 C ATOM 1228 OE1 GLN A 110 -14.550 0.468 6.195 1.00 0.00 O ATOM 1229 NE2 GLN A 110 -13.211 1.348 4.622 1.00 0.00 N ATOM 0 H GLN A 110 -12.038 -2.537 4.864 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.996 -2.605 4.925 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.091 -1.035 3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.521 -1.692 2.444 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.173 0.463 3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.876 -0.584 4.324 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -12.964 1.400 3.634 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -12.690 1.895 5.308 1.00 0.00 H new ATOM 1238 N LYS A 111 -12.750 -4.156 3.070 1.00 0.00 N ATOM 1239 CA LYS A 111 -12.506 -5.362 2.287 1.00 0.00 C ATOM 1240 C LYS A 111 -11.878 -6.452 3.150 1.00 0.00 C ATOM 1241 O LYS A 111 -11.293 -6.170 4.197 1.00 0.00 O ATOM 1242 CB LYS A 111 -11.594 -5.047 1.099 1.00 0.00 C ATOM 1243 CG LYS A 111 -11.822 -5.952 -0.099 1.00 0.00 C ATOM 1244 CD LYS A 111 -13.002 -5.484 -0.934 1.00 0.00 C ATOM 1245 CE LYS A 111 -12.568 -4.502 -2.011 1.00 0.00 C ATOM 1246 NZ LYS A 111 -13.686 -3.613 -2.434 1.00 0.00 N ATOM 0 H LYS A 111 -11.926 -3.571 3.211 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.464 -5.725 1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -11.750 -4.012 0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.555 -5.133 1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.924 -5.973 -0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.998 -6.972 0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -13.485 -6.344 -1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -13.742 -5.013 -0.288 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -11.743 -3.895 -1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.194 -5.052 -2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -13.350 -2.958 -3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -14.464 -4.190 -2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -14.026 -3.069 -1.615 1.00 0.00 H new ATOM 1260 N THR A 112 -12.000 -7.698 2.703 1.00 0.00 N ATOM 1261 CA THR A 112 -11.444 -8.830 3.434 1.00 0.00 C ATOM 1262 C THR A 112 -10.708 -9.781 2.497 1.00 0.00 C ATOM 1263 O THR A 112 -11.324 -10.623 1.841 1.00 0.00 O ATOM 1264 CB THR A 112 -12.542 -9.610 4.181 1.00 0.00 C ATOM 1265 OG1 THR A 112 -13.160 -8.769 5.161 1.00 0.00 O ATOM 1266 CG2 THR A 112 -11.965 -10.845 4.856 1.00 0.00 C ATOM 0 H THR A 112 -12.479 -7.949 1.838 1.00 0.00 H new ATOM 0 HA THR A 112 -10.740 -8.423 4.160 1.00 0.00 H new ATOM 0 HB THR A 112 -13.289 -9.929 3.454 1.00 0.00 H new ATOM 0 HG1 THR A 112 -13.858 -9.272 5.630 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.759 -11.379 5.377 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.522 -11.497 4.104 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.200 -10.544 5.572 1.00 0.00 H new ATOM 1274 N LEU A 113 -9.388 -9.642 2.439 1.00 0.00 N ATOM 1275 CA LEU A 113 -8.567 -10.491 1.582 1.00 0.00 C ATOM 1276 C LEU A 113 -8.897 -11.965 1.798 1.00 0.00 C ATOM 1277 O LEU A 113 -9.353 -12.374 2.866 1.00 0.00 O ATOM 1278 CB LEU A 113 -7.083 -10.242 1.856 1.00 0.00 C ATOM 1279 CG LEU A 113 -6.525 -8.905 1.369 1.00 0.00 C ATOM 1280 CD1 LEU A 113 -5.075 -8.744 1.797 1.00 0.00 C ATOM 1281 CD2 LEU A 113 -6.652 -8.793 -0.143 1.00 0.00 C ATOM 0 H LEU A 113 -8.864 -8.950 2.975 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.786 -10.238 0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.916 -10.313 2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.509 -11.043 1.391 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.107 -8.103 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.695 -7.786 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.011 -8.779 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.479 -9.551 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.250 -7.835 -0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.095 -9.602 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.702 -8.862 -0.426 1.00 0.00 H new ATOM 1293 N PRO A 114 -8.659 -12.783 0.763 1.00 0.00 N ATOM 1294 CA PRO A 114 -8.920 -14.224 0.816 1.00 0.00 C ATOM 1295 C PRO A 114 -7.953 -14.955 1.741 1.00 0.00 C ATOM 1296 O PRO A 114 -6.769 -15.089 1.437 1.00 0.00 O ATOM 1297 CB PRO A 114 -8.718 -14.675 -0.633 1.00 0.00 C ATOM 1298 CG PRO A 114 -7.791 -13.666 -1.218 1.00 0.00 C ATOM 1299 CD PRO A 114 -8.116 -12.364 -0.541 1.00 0.00 C ATOM 0 HA PRO A 114 -9.912 -14.444 1.211 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.293 -15.678 -0.680 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.664 -14.704 -1.174 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.751 -13.946 -1.047 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.928 -13.590 -2.297 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.230 -11.739 -0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.842 -11.785 -1.111 1.00 0.00 H new ATOM 1307 N GLY A 115 -8.466 -15.425 2.874 1.00 0.00 N ATOM 1308 CA GLY A 115 -7.634 -16.137 3.826 1.00 0.00 C ATOM 1309 C GLY A 115 -7.338 -15.315 5.066 1.00 0.00 C ATOM 1310 O GLY A 115 -6.532 -15.715 5.905 1.00 0.00 O ATOM 0 H GLY A 115 -9.443 -15.325 3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -8.131 -17.062 4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.696 -16.416 3.346 1.00 0.00 H new ATOM 1314 N MET A 116 -7.991 -14.163 5.179 1.00 0.00 N ATOM 1315 CA MET A 116 -7.793 -13.283 6.325 1.00 0.00 C ATOM 1316 C MET A 116 -9.092 -13.105 7.104 1.00 0.00 C ATOM 1317 O MET A 116 -10.065 -12.554 6.590 1.00 0.00 O ATOM 1318 CB MET A 116 -7.270 -11.921 5.865 1.00 0.00 C ATOM 1319 CG MET A 116 -5.794 -11.929 5.500 1.00 0.00 C ATOM 1320 SD MET A 116 -4.724 -12.112 6.939 1.00 0.00 S ATOM 1321 CE MET A 116 -4.173 -10.423 7.169 1.00 0.00 C ATOM 0 H MET A 116 -8.661 -13.817 4.492 1.00 0.00 H new ATOM 0 HA MET A 116 -7.056 -13.744 6.982 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.848 -11.592 5.001 1.00 0.00 H new ATOM 0 HB3 MET A 116 -7.436 -11.191 6.657 1.00 0.00 H new ATOM 0 HG2 MET A 116 -5.601 -12.744 4.802 1.00 0.00 H new ATOM 0 HG3 MET A 116 -5.546 -11.002 4.984 1.00 0.00 H new ATOM 0 HE1 MET A 116 -3.649 -10.338 8.121 1.00 0.00 H new ATOM 0 HE2 MET A 116 -3.500 -10.146 6.358 1.00 0.00 H new ATOM 0 HE3 MET A 116 -5.035 -9.756 7.169 1.00 0.00 H new ATOM 1331 N ASN A 117 -9.101 -13.575 8.348 1.00 0.00 N ATOM 1332 CA ASN A 117 -10.281 -13.468 9.197 1.00 0.00 C ATOM 1333 C ASN A 117 -10.686 -12.009 9.384 1.00 0.00 C ATOM 1334 O ASN A 117 -11.873 -11.685 9.432 1.00 0.00 O ATOM 1335 CB ASN A 117 -10.015 -14.113 10.559 1.00 0.00 C ATOM 1336 CG ASN A 117 -11.296 -14.443 11.302 1.00 0.00 C ATOM 1337 OD1 ASN A 117 -12.391 -14.107 10.853 1.00 0.00 O ATOM 1338 ND2 ASN A 117 -11.162 -15.104 12.446 1.00 0.00 N ATOM 0 H ASN A 117 -8.304 -14.033 8.790 1.00 0.00 H new ATOM 0 HA ASN A 117 -11.100 -13.994 8.706 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -9.434 -15.025 10.419 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -9.410 -13.439 11.165 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -11.988 -15.353 12.991 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -10.234 -15.362 12.780 1.00 0.00 H new ATOM 1345 N ARG A 118 -9.692 -11.133 9.487 1.00 0.00 N ATOM 1346 CA ARG A 118 -9.945 -9.709 9.669 1.00 0.00 C ATOM 1347 C ARG A 118 -9.809 -8.959 8.347 1.00 0.00 C ATOM 1348 O ARG A 118 -9.159 -9.420 7.408 1.00 0.00 O ATOM 1349 CB ARG A 118 -8.977 -9.125 10.701 1.00 0.00 C ATOM 1350 CG ARG A 118 -9.403 -9.367 12.140 1.00 0.00 C ATOM 1351 CD ARG A 118 -8.230 -9.228 13.098 1.00 0.00 C ATOM 1352 NE ARG A 118 -8.505 -9.845 14.393 1.00 0.00 N ATOM 1353 CZ ARG A 118 -9.376 -9.357 15.269 1.00 0.00 C ATOM 1354 NH1 ARG A 118 -10.053 -8.251 14.991 1.00 0.00 N ATOM 1355 NH2 ARG A 118 -9.572 -9.975 16.427 1.00 0.00 N ATOM 0 H ARG A 118 -8.704 -11.384 9.448 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.966 -9.590 10.031 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.989 -9.558 10.546 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.885 -8.052 10.534 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -10.184 -8.658 12.414 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -9.832 -10.365 12.231 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.346 -9.688 12.658 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -8.002 -8.172 13.241 1.00 0.00 H new ATOM 0 HE ARG A 118 -8.001 -10.697 14.638 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -9.906 -7.773 14.102 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -10.721 -7.879 15.666 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -9.053 -10.826 16.645 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -10.241 -9.599 17.099 1.00 0.00 H new ATOM 1369 N PRO A 119 -10.436 -7.776 8.270 1.00 0.00 N ATOM 1370 CA PRO A 119 -10.399 -6.938 7.068 1.00 0.00 C ATOM 1371 C PRO A 119 -9.020 -6.334 6.824 1.00 0.00 C ATOM 1372 O PRO A 119 -8.077 -6.595 7.571 1.00 0.00 O ATOM 1373 CB PRO A 119 -11.419 -5.837 7.372 1.00 0.00 C ATOM 1374 CG PRO A 119 -11.465 -5.764 8.859 1.00 0.00 C ATOM 1375 CD PRO A 119 -11.228 -7.165 9.351 1.00 0.00 C ATOM 0 HA PRO A 119 -10.623 -7.508 6.166 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.115 -4.885 6.938 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -12.398 -6.078 6.957 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.704 -5.083 9.240 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -12.429 -5.388 9.201 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -10.689 -7.173 10.298 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -12.165 -7.698 9.513 1.00 0.00 H new ATOM 1383 N ILE A 120 -8.911 -5.525 5.775 1.00 0.00 N ATOM 1384 CA ILE A 120 -7.647 -4.883 5.435 1.00 0.00 C ATOM 1385 C ILE A 120 -7.524 -3.520 6.107 1.00 0.00 C ATOM 1386 O ILE A 120 -8.500 -2.777 6.207 1.00 0.00 O ATOM 1387 CB ILE A 120 -7.498 -4.707 3.912 1.00 0.00 C ATOM 1388 CG1 ILE A 120 -6.250 -3.882 3.592 1.00 0.00 C ATOM 1389 CG2 ILE A 120 -8.739 -4.047 3.331 1.00 0.00 C ATOM 1390 CD1 ILE A 120 -6.019 -3.684 2.111 1.00 0.00 C ATOM 0 H ILE A 120 -9.682 -5.299 5.147 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.853 -5.537 5.797 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.387 -5.691 3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -6.336 -2.907 4.071 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -5.379 -4.374 4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.618 -3.930 2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -9.611 -4.670 3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -8.879 -3.068 3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.117 -3.090 1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -5.900 -4.654 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -6.873 -3.164 1.676 1.00 0.00 H new ATOM 1402 N GLN A 121 -6.319 -3.199 6.565 1.00 0.00 N ATOM 1403 CA GLN A 121 -6.068 -1.924 7.228 1.00 0.00 C ATOM 1404 C GLN A 121 -5.164 -1.038 6.378 1.00 0.00 C ATOM 1405 O GLN A 121 -4.030 -1.405 6.068 1.00 0.00 O ATOM 1406 CB GLN A 121 -5.433 -2.155 8.600 1.00 0.00 C ATOM 1407 CG GLN A 121 -6.340 -2.887 9.575 1.00 0.00 C ATOM 1408 CD GLN A 121 -5.625 -3.285 10.851 1.00 0.00 C ATOM 1409 OE1 GLN A 121 -5.493 -4.470 11.160 1.00 0.00 O ATOM 1410 NE2 GLN A 121 -5.157 -2.294 11.602 1.00 0.00 N ATOM 0 H GLN A 121 -5.501 -3.804 6.490 1.00 0.00 H new ATOM 0 HA GLN A 121 -7.024 -1.417 7.359 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -4.513 -2.726 8.474 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -5.154 -1.192 9.029 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -7.190 -2.251 9.823 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -6.740 -3.779 9.093 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -5.288 -1.326 11.309 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -4.666 -2.501 12.472 1.00 0.00 H new ATOM 1419 N VAL A 122 -5.673 0.131 6.002 1.00 0.00 N ATOM 1420 CA VAL A 122 -4.911 1.071 5.188 1.00 0.00 C ATOM 1421 C VAL A 122 -4.970 2.478 5.773 1.00 0.00 C ATOM 1422 O VAL A 122 -6.042 3.075 5.876 1.00 0.00 O ATOM 1423 CB VAL A 122 -5.430 1.107 3.739 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -4.508 1.939 2.862 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -5.573 -0.304 3.189 1.00 0.00 C ATOM 0 H VAL A 122 -6.610 0.450 6.248 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.878 0.724 5.187 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.414 1.575 3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.891 1.953 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.462 2.958 3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.509 1.503 2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -5.941 -0.259 2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.603 -0.801 3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.278 -0.864 3.803 1.00 0.00 H new ATOM 1435 N LYS A 123 -3.811 3.003 6.154 1.00 0.00 N ATOM 1436 CA LYS A 123 -3.728 4.341 6.727 1.00 0.00 C ATOM 1437 C LYS A 123 -2.639 5.160 6.042 1.00 0.00 C ATOM 1438 O LYS A 123 -1.661 4.624 5.521 1.00 0.00 O ATOM 1439 CB LYS A 123 -3.450 4.259 8.230 1.00 0.00 C ATOM 1440 CG LYS A 123 -2.342 3.284 8.591 1.00 0.00 C ATOM 1441 CD LYS A 123 -2.485 2.780 10.017 1.00 0.00 C ATOM 1442 CE LYS A 123 -1.458 1.704 10.333 1.00 0.00 C ATOM 1443 NZ LYS A 123 -0.171 2.286 10.804 1.00 0.00 N ATOM 0 H LYS A 123 -2.915 2.522 6.076 1.00 0.00 H new ATOM 0 HA LYS A 123 -4.686 4.837 6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.184 5.250 8.596 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -4.364 3.964 8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -2.361 2.439 7.902 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.374 3.771 8.472 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -2.368 3.612 10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -3.489 2.381 10.164 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -1.856 1.036 11.097 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -1.279 1.100 9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 0.502 1.520 11.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 0.222 2.904 10.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -0.337 2.841 11.668 1.00 0.00 H new ATOM 1457 N PRO A 124 -2.810 6.491 6.043 1.00 0.00 N ATOM 1458 CA PRO A 124 -1.850 7.412 5.427 1.00 0.00 C ATOM 1459 C PRO A 124 -0.536 7.481 6.198 1.00 0.00 C ATOM 1460 O PRO A 124 -0.392 8.277 7.126 1.00 0.00 O ATOM 1461 CB PRO A 124 -2.571 8.761 5.476 1.00 0.00 C ATOM 1462 CG PRO A 124 -3.524 8.640 6.615 1.00 0.00 C ATOM 1463 CD PRO A 124 -3.952 7.198 6.645 1.00 0.00 C ATOM 0 HA PRO A 124 -1.572 7.098 4.421 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -1.869 9.580 5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -3.094 8.964 4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -3.049 8.926 7.553 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -4.381 9.299 6.478 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -4.145 6.857 7.662 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -4.868 7.039 6.076 1.00 0.00 H new ATOM 1471 N ALA A 125 0.419 6.644 5.807 1.00 0.00 N ATOM 1472 CA ALA A 125 1.722 6.613 6.460 1.00 0.00 C ATOM 1473 C ALA A 125 2.195 8.020 6.808 1.00 0.00 C ATOM 1474 O ALA A 125 1.903 8.978 6.093 1.00 0.00 O ATOM 1475 CB ALA A 125 2.741 5.915 5.572 1.00 0.00 C ATOM 0 H ALA A 125 0.315 5.978 5.041 1.00 0.00 H new ATOM 0 HA ALA A 125 1.622 6.052 7.389 1.00 0.00 H new ATOM 0 HB1 ALA A 125 3.709 5.899 6.072 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.416 4.893 5.379 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.829 6.452 4.628 1.00 0.00 H new