USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 721 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 61 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 62 SER OG : rot 180:sc= -0.361 USER MOD Single : A 14 SER OG : rot -167:sc= -1.16 USER MOD Single : A 18 THR OG1 : rot 29:sc= 0.188 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 170:sc= -0.0788 USER MOD Single : A 36 GLN : amide:sc=-0.00269 K(o=-0.0027,f=-0.54) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -3.64! C(o=-3.6!,f=-9!) USER MOD Single : A 43 HIS : no HD1:sc= -0.0302 X(o=-0.03,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0971 K(o=-0.097,f=-1.4!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= 0.422 K(o=0.42,f=-5.3!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -13:sc= 0.892 USER MOD Single : A 77 MET CE :methyl -133:sc= -0.599 (180deg=-2.74!) USER MOD Single : A 79 CYS SG : rot 90:sc= -3.25! USER MOD Single : A 82 SER OG : rot 79:sc= 1.29 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -1.02 K(o=-1,f=-4.6!) USER MOD Single : A 98 CYS SG : rot 98:sc= -1.27! USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 9 -2.696 7.515 17.745 1.00 0.00 N ATOM 88 CA PRO A 9 -2.903 7.133 16.359 1.00 0.00 C ATOM 89 C PRO A 9 -3.114 8.366 15.477 1.00 0.00 C ATOM 90 O PRO A 9 -3.965 9.204 15.769 1.00 0.00 O ATOM 91 CB PRO A 9 -4.108 6.206 16.382 1.00 0.00 C ATOM 92 CG PRO A 9 -4.811 6.469 17.703 1.00 0.00 C ATOM 93 CD PRO A 9 -3.861 7.261 18.588 1.00 0.00 C ATOM 0 HA PRO A 9 -2.038 6.629 15.927 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.771 6.406 15.540 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.800 5.163 16.304 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.734 7.025 17.540 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.086 5.530 18.183 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.317 8.192 18.925 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.589 6.698 19.481 1.00 0.00 H new ATOM 101 N ILE A 10 -2.325 8.436 14.415 1.00 0.00 N ATOM 102 CA ILE A 10 -2.414 9.552 13.489 1.00 0.00 C ATOM 103 C ILE A 10 -3.701 9.427 12.670 1.00 0.00 C ATOM 104 O ILE A 10 -4.424 10.406 12.491 1.00 0.00 O ATOM 105 CB ILE A 10 -1.148 9.642 12.635 1.00 0.00 C ATOM 106 CG1 ILE A 10 0.100 9.748 13.514 1.00 0.00 C ATOM 107 CG2 ILE A 10 -1.243 10.795 11.633 1.00 0.00 C ATOM 108 CD1 ILE A 10 1.239 8.892 12.954 1.00 0.00 C ATOM 0 H ILE A 10 -1.621 7.738 14.175 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.471 10.495 14.033 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.059 8.721 12.059 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.419 10.789 13.576 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.137 9.427 14.528 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.330 10.837 11.039 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.097 10.636 10.975 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.369 11.735 12.171 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.114 8.985 13.597 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.926 7.849 12.916 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.489 9.232 11.949 1.00 0.00 H new ATOM 120 N GLY A 11 -3.947 8.216 12.194 1.00 0.00 N ATOM 121 CA GLY A 11 -5.133 7.950 11.399 1.00 0.00 C ATOM 122 C GLY A 11 -5.342 6.447 11.210 1.00 0.00 C ATOM 123 O GLY A 11 -4.382 5.703 11.011 1.00 0.00 O ATOM 0 H GLY A 11 -3.344 7.407 12.344 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.006 8.383 11.886 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.039 8.433 10.426 1.00 0.00 H new ATOM 127 N GLU A 12 -6.602 6.043 11.277 1.00 0.00 N ATOM 128 CA GLU A 12 -6.949 4.641 11.116 1.00 0.00 C ATOM 129 C GLU A 12 -7.468 4.383 9.700 1.00 0.00 C ATOM 130 O GLU A 12 -8.096 5.252 9.097 1.00 0.00 O ATOM 131 CB GLU A 12 -7.974 4.206 12.165 1.00 0.00 C ATOM 132 CG GLU A 12 -8.053 2.680 12.253 1.00 0.00 C ATOM 133 CD GLU A 12 -9.307 2.154 11.552 1.00 0.00 C ATOM 134 OE1 GLU A 12 -10.410 2.495 12.031 1.00 0.00 O ATOM 135 OE2 GLU A 12 -9.134 1.424 10.552 1.00 0.00 O ATOM 0 H GLU A 12 -7.396 6.662 11.441 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.050 4.044 11.267 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.702 4.617 13.137 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.954 4.611 11.911 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.166 2.240 11.798 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.061 2.372 13.299 1.00 0.00 H new ATOM 142 N ALA A 13 -7.188 3.184 9.211 1.00 0.00 N ATOM 143 CA ALA A 13 -7.620 2.800 7.878 1.00 0.00 C ATOM 144 C ALA A 13 -8.253 1.408 7.932 1.00 0.00 C ATOM 145 O ALA A 13 -7.819 0.554 8.704 1.00 0.00 O ATOM 146 CB ALA A 13 -6.429 2.861 6.918 1.00 0.00 C ATOM 0 H ALA A 13 -6.667 2.466 9.714 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.376 3.492 7.506 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.753 2.573 5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.033 3.876 6.893 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.652 2.177 7.259 1.00 0.00 H new ATOM 152 N SER A 14 -9.270 1.223 7.103 1.00 0.00 N ATOM 153 CA SER A 14 -9.968 -0.050 7.048 1.00 0.00 C ATOM 154 C SER A 14 -9.774 -0.693 5.673 1.00 0.00 C ATOM 155 O SER A 14 -9.894 -0.024 4.648 1.00 0.00 O ATOM 156 CB SER A 14 -11.458 0.125 7.346 1.00 0.00 C ATOM 157 OG SER A 14 -11.699 1.201 8.248 1.00 0.00 O ATOM 0 H SER A 14 -9.627 1.933 6.464 1.00 0.00 H new ATOM 0 HA SER A 14 -9.547 -0.704 7.812 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.995 0.305 6.415 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.854 -0.798 7.769 1.00 0.00 H new ATOM 0 HG SER A 14 -12.622 1.155 8.573 1.00 0.00 H new ATOM 163 N ILE A 15 -9.478 -1.984 5.696 1.00 0.00 N ATOM 164 CA ILE A 15 -9.266 -2.725 4.464 1.00 0.00 C ATOM 165 C ILE A 15 -10.619 -3.150 3.890 1.00 0.00 C ATOM 166 O ILE A 15 -11.414 -3.791 4.575 1.00 0.00 O ATOM 167 CB ILE A 15 -8.304 -3.892 4.699 1.00 0.00 C ATOM 168 CG1 ILE A 15 -6.865 -3.395 4.850 1.00 0.00 C ATOM 169 CG2 ILE A 15 -8.435 -4.942 3.593 1.00 0.00 C ATOM 170 CD1 ILE A 15 -5.933 -4.533 5.270 1.00 0.00 C ATOM 0 H ILE A 15 -9.380 -2.536 6.548 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.787 -2.092 3.717 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.577 -4.376 5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.523 -2.969 3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.828 -2.597 5.592 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.741 -5.760 3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.454 -5.328 3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.203 -4.487 2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.916 -4.153 5.370 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.264 -4.940 6.225 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.954 -5.318 4.514 1.00 0.00 H new ATOM 182 N LEU A 16 -10.839 -2.774 2.638 1.00 0.00 N ATOM 183 CA LEU A 16 -12.083 -3.108 1.965 1.00 0.00 C ATOM 184 C LEU A 16 -11.845 -4.288 1.021 1.00 0.00 C ATOM 185 O LEU A 16 -12.710 -5.150 0.868 1.00 0.00 O ATOM 186 CB LEU A 16 -12.665 -1.874 1.272 1.00 0.00 C ATOM 187 CG LEU A 16 -12.674 -0.584 2.096 1.00 0.00 C ATOM 188 CD1 LEU A 16 -12.850 0.640 1.195 1.00 0.00 C ATOM 189 CD2 LEU A 16 -13.735 -0.644 3.196 1.00 0.00 C ATOM 0 H LEU A 16 -10.177 -2.242 2.073 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.835 -3.424 2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.099 -1.694 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.689 -2.098 0.974 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.706 -0.485 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.853 1.543 1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.028 0.687 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -13.795 0.563 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.720 0.285 3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.719 -0.778 2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.523 -1.482 3.861 1.00 0.00 H new ATOM 201 N ALA A 17 -10.669 -4.290 0.411 1.00 0.00 N ATOM 202 CA ALA A 17 -10.307 -5.350 -0.514 1.00 0.00 C ATOM 203 C ALA A 17 -8.833 -5.710 -0.319 1.00 0.00 C ATOM 204 O ALA A 17 -8.023 -4.855 0.037 1.00 0.00 O ATOM 205 CB ALA A 17 -10.615 -4.906 -1.945 1.00 0.00 C ATOM 0 H ALA A 17 -9.954 -3.574 0.539 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.894 -6.247 -0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.343 -5.701 -2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.680 -4.691 -2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.042 -4.009 -2.179 1.00 0.00 H new ATOM 211 N THR A 18 -8.529 -6.977 -0.561 1.00 0.00 N ATOM 212 CA THR A 18 -7.166 -7.460 -0.417 1.00 0.00 C ATOM 213 C THR A 18 -6.772 -8.313 -1.625 1.00 0.00 C ATOM 214 O THR A 18 -7.539 -9.168 -2.062 1.00 0.00 O ATOM 215 CB THR A 18 -7.068 -8.209 0.914 1.00 0.00 C ATOM 216 OG1 THR A 18 -7.940 -9.323 0.749 1.00 0.00 O ATOM 217 CG2 THR A 18 -7.682 -7.423 2.074 1.00 0.00 C ATOM 0 H THR A 18 -9.203 -7.683 -0.856 1.00 0.00 H new ATOM 0 HA THR A 18 -6.454 -6.635 -0.395 1.00 0.00 H new ATOM 0 HB THR A 18 -6.022 -8.423 1.135 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.982 -9.568 -0.199 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.586 -7.999 2.995 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.161 -6.472 2.185 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.737 -7.238 1.870 1.00 0.00 H new ATOM 225 N PHE A 19 -5.575 -8.049 -2.129 1.00 0.00 N ATOM 226 CA PHE A 19 -5.070 -8.782 -3.278 1.00 0.00 C ATOM 227 C PHE A 19 -3.540 -8.774 -3.303 1.00 0.00 C ATOM 228 O PHE A 19 -2.905 -8.159 -2.448 1.00 0.00 O ATOM 229 CB PHE A 19 -5.592 -8.070 -4.528 1.00 0.00 C ATOM 230 CG PHE A 19 -5.187 -6.598 -4.621 1.00 0.00 C ATOM 231 CD1 PHE A 19 -3.893 -6.264 -4.871 1.00 0.00 C ATOM 232 CD2 PHE A 19 -6.121 -5.624 -4.453 1.00 0.00 C ATOM 233 CE1 PHE A 19 -3.516 -4.897 -4.958 1.00 0.00 C ATOM 234 CE2 PHE A 19 -5.744 -4.257 -4.539 1.00 0.00 C ATOM 235 CZ PHE A 19 -4.450 -3.923 -4.790 1.00 0.00 C ATOM 0 H PHE A 19 -4.941 -7.339 -1.763 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.401 -9.819 -3.233 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.226 -8.593 -5.411 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.680 -8.139 -4.545 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.152 -7.038 -5.003 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.149 -5.890 -4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.488 -4.632 -5.157 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.485 -3.483 -4.405 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.164 -2.884 -4.856 1.00 0.00 H new ATOM 245 N THR A 20 -2.993 -9.465 -4.293 1.00 0.00 N ATOM 246 CA THR A 20 -1.550 -9.546 -4.441 1.00 0.00 C ATOM 247 C THR A 20 -1.117 -8.952 -5.783 1.00 0.00 C ATOM 248 O THR A 20 -1.937 -8.783 -6.684 1.00 0.00 O ATOM 249 CB THR A 20 -1.137 -11.008 -4.262 1.00 0.00 C ATOM 250 OG1 THR A 20 -2.020 -11.498 -3.256 1.00 0.00 O ATOM 251 CG2 THR A 20 0.253 -11.152 -3.640 1.00 0.00 C ATOM 0 H THR A 20 -3.524 -9.974 -5.000 1.00 0.00 H new ATOM 0 HA THR A 20 -1.041 -8.954 -3.680 1.00 0.00 H new ATOM 0 HB THR A 20 -1.156 -11.511 -5.229 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.823 -12.441 -3.079 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.497 -12.209 -3.535 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.991 -10.671 -4.283 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.263 -10.678 -2.658 1.00 0.00 H new ATOM 259 N VAL A 21 0.170 -8.651 -5.873 1.00 0.00 N ATOM 260 CA VAL A 21 0.721 -8.080 -7.090 1.00 0.00 C ATOM 261 C VAL A 21 2.031 -8.792 -7.434 1.00 0.00 C ATOM 262 O VAL A 21 2.667 -9.384 -6.564 1.00 0.00 O ATOM 263 CB VAL A 21 0.887 -6.567 -6.930 1.00 0.00 C ATOM 264 CG1 VAL A 21 -0.469 -5.859 -6.983 1.00 0.00 C ATOM 265 CG2 VAL A 21 1.631 -6.231 -5.636 1.00 0.00 C ATOM 0 H VAL A 21 0.847 -8.792 -5.123 1.00 0.00 H new ATOM 0 HA VAL A 21 0.039 -8.232 -7.926 1.00 0.00 H new ATOM 0 HB VAL A 21 1.487 -6.205 -7.765 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.323 -4.785 -6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.947 -6.059 -7.942 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.104 -6.228 -6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.736 -5.150 -5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.069 -6.613 -4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.619 -6.691 -5.655 1.00 0.00 H new ATOM 275 N THR A 22 2.395 -8.710 -8.706 1.00 0.00 N ATOM 276 CA THR A 22 3.618 -9.339 -9.176 1.00 0.00 C ATOM 277 C THR A 22 4.617 -8.279 -9.644 1.00 0.00 C ATOM 278 O THR A 22 4.230 -7.282 -10.252 1.00 0.00 O ATOM 279 CB THR A 22 3.243 -10.345 -10.266 1.00 0.00 C ATOM 280 OG1 THR A 22 2.289 -11.197 -9.639 1.00 0.00 O ATOM 281 CG2 THR A 22 4.401 -11.280 -10.622 1.00 0.00 C ATOM 0 H THR A 22 1.865 -8.218 -9.425 1.00 0.00 H new ATOM 0 HA THR A 22 4.119 -9.880 -8.373 1.00 0.00 H new ATOM 0 HB THR A 22 2.921 -9.810 -11.159 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.991 -11.879 -10.276 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.082 -11.974 -11.400 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.245 -10.693 -10.983 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.701 -11.840 -9.737 1.00 0.00 H new ATOM 289 N GLU A 23 5.882 -8.530 -9.343 1.00 0.00 N ATOM 290 CA GLU A 23 6.940 -7.610 -9.726 1.00 0.00 C ATOM 291 C GLU A 23 8.204 -8.383 -10.107 1.00 0.00 C ATOM 292 O GLU A 23 8.963 -8.806 -9.237 1.00 0.00 O ATOM 293 CB GLU A 23 7.226 -6.608 -8.606 1.00 0.00 C ATOM 294 CG GLU A 23 6.075 -5.612 -8.453 1.00 0.00 C ATOM 295 CD GLU A 23 6.599 -4.179 -8.351 1.00 0.00 C ATOM 296 OE1 GLU A 23 7.123 -3.841 -7.268 1.00 0.00 O ATOM 297 OE2 GLU A 23 6.465 -3.452 -9.360 1.00 0.00 O ATOM 0 H GLU A 23 6.199 -9.358 -8.838 1.00 0.00 H new ATOM 0 HA GLU A 23 6.607 -7.046 -10.597 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.378 -7.140 -7.667 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.150 -6.071 -8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.401 -5.696 -9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.495 -5.855 -7.563 1.00 0.00 H new ATOM 304 N GLY A 24 8.391 -8.544 -11.409 1.00 0.00 N ATOM 305 CA GLY A 24 9.550 -9.258 -11.916 1.00 0.00 C ATOM 306 C GLY A 24 9.319 -10.771 -11.884 1.00 0.00 C ATOM 307 O GLY A 24 9.553 -11.459 -12.876 1.00 0.00 O ATOM 0 H GLY A 24 7.759 -8.192 -12.128 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.759 -8.940 -12.937 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.426 -9.007 -11.318 1.00 0.00 H new ATOM 311 N LYS A 25 8.863 -11.243 -10.733 1.00 0.00 N ATOM 312 CA LYS A 25 8.598 -12.661 -10.559 1.00 0.00 C ATOM 313 C LYS A 25 7.860 -12.879 -9.236 1.00 0.00 C ATOM 314 O LYS A 25 6.786 -13.477 -9.212 1.00 0.00 O ATOM 315 CB LYS A 25 9.893 -13.467 -10.680 1.00 0.00 C ATOM 316 CG LYS A 25 9.842 -14.407 -11.886 1.00 0.00 C ATOM 317 CD LYS A 25 11.220 -14.537 -12.538 1.00 0.00 C ATOM 318 CE LYS A 25 11.144 -14.261 -14.041 1.00 0.00 C ATOM 319 NZ LYS A 25 12.458 -14.499 -14.680 1.00 0.00 N ATOM 0 H LYS A 25 8.670 -10.669 -9.912 1.00 0.00 H new ATOM 0 HA LYS A 25 7.946 -13.027 -11.353 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.740 -12.788 -10.779 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.052 -14.045 -9.770 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.490 -15.390 -11.571 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.125 -14.030 -12.615 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.914 -13.839 -12.071 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.613 -15.539 -12.368 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.390 -14.903 -14.497 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.831 -13.231 -14.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.388 -14.307 -15.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.169 -13.869 -14.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.741 -15.489 -14.533 1.00 0.00 H new ATOM 333 N LYS A 26 8.466 -12.381 -8.168 1.00 0.00 N ATOM 334 CA LYS A 26 7.880 -12.514 -6.845 1.00 0.00 C ATOM 335 C LYS A 26 6.476 -11.906 -6.851 1.00 0.00 C ATOM 336 O LYS A 26 6.081 -11.255 -7.818 1.00 0.00 O ATOM 337 CB LYS A 26 8.806 -11.913 -5.786 1.00 0.00 C ATOM 338 CG LYS A 26 8.884 -12.813 -4.551 1.00 0.00 C ATOM 339 CD LYS A 26 8.493 -12.044 -3.287 1.00 0.00 C ATOM 340 CE LYS A 26 9.588 -11.051 -2.889 1.00 0.00 C ATOM 341 NZ LYS A 26 10.142 -11.396 -1.561 1.00 0.00 N ATOM 0 H LYS A 26 9.357 -11.885 -8.192 1.00 0.00 H new ATOM 0 HA LYS A 26 7.772 -13.566 -6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.803 -11.777 -6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.444 -10.926 -5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.223 -13.670 -4.679 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.896 -13.204 -4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.557 -11.511 -3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.318 -12.744 -2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.383 -11.059 -3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.181 -10.040 -2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.883 -10.713 -1.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.384 -11.366 -0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.549 -12.353 -1.592 1.00 0.00 H new ATOM 355 N LYS A 27 5.760 -12.139 -5.761 1.00 0.00 N ATOM 356 CA LYS A 27 4.409 -11.622 -5.628 1.00 0.00 C ATOM 357 C LYS A 27 4.279 -10.881 -4.296 1.00 0.00 C ATOM 358 O LYS A 27 4.265 -11.502 -3.235 1.00 0.00 O ATOM 359 CB LYS A 27 3.386 -12.745 -5.809 1.00 0.00 C ATOM 360 CG LYS A 27 3.511 -13.785 -4.694 1.00 0.00 C ATOM 361 CD LYS A 27 2.725 -15.053 -5.036 1.00 0.00 C ATOM 362 CE LYS A 27 1.516 -15.215 -4.112 1.00 0.00 C ATOM 363 NZ LYS A 27 0.291 -15.473 -4.902 1.00 0.00 N ATOM 0 H LYS A 27 6.090 -12.679 -4.961 1.00 0.00 H new ATOM 0 HA LYS A 27 4.199 -10.899 -6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.379 -12.328 -5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.534 -13.224 -6.777 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.561 -14.034 -4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.142 -13.366 -3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.392 -15.010 -6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.375 -15.923 -4.946 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.689 -16.038 -3.418 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.386 -14.314 -3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.520 -15.580 -4.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.119 -14.675 -5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.412 -16.345 -5.456 1.00 0.00 H new ATOM 377 N ILE A 28 4.189 -9.563 -4.395 1.00 0.00 N ATOM 378 CA ILE A 28 4.061 -8.730 -3.211 1.00 0.00 C ATOM 379 C ILE A 28 2.579 -8.552 -2.875 1.00 0.00 C ATOM 380 O ILE A 28 1.791 -8.140 -3.725 1.00 0.00 O ATOM 381 CB ILE A 28 4.811 -7.410 -3.401 1.00 0.00 C ATOM 382 CG1 ILE A 28 6.245 -7.657 -3.874 1.00 0.00 C ATOM 383 CG2 ILE A 28 4.766 -6.566 -2.126 1.00 0.00 C ATOM 384 CD1 ILE A 28 6.329 -7.631 -5.402 1.00 0.00 C ATOM 0 H ILE A 28 4.202 -9.051 -5.277 1.00 0.00 H new ATOM 0 HA ILE A 28 4.527 -9.214 -2.353 1.00 0.00 H new ATOM 0 HB ILE A 28 4.308 -6.841 -4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.906 -6.897 -3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.593 -8.621 -3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.306 -5.633 -2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.729 -6.345 -1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.230 -7.117 -1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.358 -7.809 -5.713 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.686 -8.408 -5.815 1.00 0.00 H new ATOM 0 HD13 ILE A 28 6.003 -6.657 -5.768 1.00 0.00 H new ATOM 396 N PRO A 29 2.235 -8.881 -1.601 1.00 0.00 N ATOM 397 CA PRO A 29 0.861 -8.762 -1.143 1.00 0.00 C ATOM 398 C PRO A 29 0.488 -7.298 -0.902 1.00 0.00 C ATOM 399 O PRO A 29 1.202 -6.578 -0.205 1.00 0.00 O ATOM 400 CB PRO A 29 0.793 -9.607 0.119 1.00 0.00 C ATOM 401 CG PRO A 29 2.231 -9.789 0.577 1.00 0.00 C ATOM 402 CD PRO A 29 3.141 -9.373 -0.568 1.00 0.00 C ATOM 0 HA PRO A 29 0.140 -9.112 -1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.198 -9.114 0.888 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.322 -10.569 -0.080 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.429 -9.184 1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.415 -10.827 0.853 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.843 -8.600 -0.255 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.733 -10.214 -0.929 1.00 0.00 H new ATOM 410 N VAL A 30 -0.629 -6.900 -1.493 1.00 0.00 N ATOM 411 CA VAL A 30 -1.105 -5.535 -1.352 1.00 0.00 C ATOM 412 C VAL A 30 -2.454 -5.542 -0.630 1.00 0.00 C ATOM 413 O VAL A 30 -3.214 -6.503 -0.736 1.00 0.00 O ATOM 414 CB VAL A 30 -1.165 -4.857 -2.723 1.00 0.00 C ATOM 415 CG1 VAL A 30 -1.919 -3.528 -2.645 1.00 0.00 C ATOM 416 CG2 VAL A 30 0.239 -4.658 -3.297 1.00 0.00 C ATOM 0 H VAL A 30 -1.218 -7.499 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.414 -4.951 -0.745 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.713 -5.514 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.947 -3.067 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.937 -3.707 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.411 -2.862 -1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.169 -4.175 -4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.822 -4.031 -2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.728 -5.626 -3.407 1.00 0.00 H new ATOM 426 N ALA A 31 -2.710 -4.459 0.089 1.00 0.00 N ATOM 427 CA ALA A 31 -3.953 -4.328 0.829 1.00 0.00 C ATOM 428 C ALA A 31 -4.558 -2.948 0.562 1.00 0.00 C ATOM 429 O ALA A 31 -3.893 -1.929 0.746 1.00 0.00 O ATOM 430 CB ALA A 31 -3.691 -4.572 2.316 1.00 0.00 C ATOM 0 H ALA A 31 -2.077 -3.664 0.175 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.676 -5.074 0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.624 -4.474 2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.290 -5.576 2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.971 -3.840 2.684 1.00 0.00 H new ATOM 436 N ASP A 32 -5.811 -2.959 0.133 1.00 0.00 N ATOM 437 CA ASP A 32 -6.513 -1.721 -0.161 1.00 0.00 C ATOM 438 C ASP A 32 -7.420 -1.362 1.018 1.00 0.00 C ATOM 439 O ASP A 32 -8.299 -2.138 1.388 1.00 0.00 O ATOM 440 CB ASP A 32 -7.390 -1.867 -1.406 1.00 0.00 C ATOM 441 CG ASP A 32 -6.894 -1.110 -2.639 1.00 0.00 C ATOM 442 OD1 ASP A 32 -5.994 -0.262 -2.460 1.00 0.00 O ATOM 443 OD2 ASP A 32 -7.426 -1.397 -3.733 1.00 0.00 O ATOM 0 H ASP A 32 -6.359 -3.806 -0.018 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.768 -0.944 -0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.468 -2.925 -1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.396 -1.521 -1.166 1.00 0.00 H new ATOM 448 N CYS A 33 -7.175 -0.184 1.574 1.00 0.00 N ATOM 449 CA CYS A 33 -7.959 0.287 2.703 1.00 0.00 C ATOM 450 C CYS A 33 -8.315 1.755 2.461 1.00 0.00 C ATOM 451 O CYS A 33 -7.589 2.468 1.770 1.00 0.00 O ATOM 452 CB CYS A 33 -7.218 0.091 4.027 1.00 0.00 C ATOM 453 SG CYS A 33 -5.549 0.833 3.927 1.00 0.00 S ATOM 0 H CYS A 33 -6.445 0.458 1.264 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.874 -0.300 2.784 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.781 0.550 4.840 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -7.139 -0.972 4.255 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.011 0.853 5.110 1.00 0.00 H new ATOM 459 N ARG A 34 -9.433 2.164 3.043 1.00 0.00 N ATOM 460 CA ARG A 34 -9.894 3.534 2.899 1.00 0.00 C ATOM 461 C ARG A 34 -9.727 4.292 4.217 1.00 0.00 C ATOM 462 O ARG A 34 -10.320 3.922 5.230 1.00 0.00 O ATOM 463 CB ARG A 34 -11.364 3.579 2.476 1.00 0.00 C ATOM 464 CG ARG A 34 -11.820 5.018 2.228 1.00 0.00 C ATOM 465 CD ARG A 34 -12.213 5.225 0.764 1.00 0.00 C ATOM 466 NE ARG A 34 -13.286 6.240 0.667 1.00 0.00 N ATOM 467 CZ ARG A 34 -14.086 6.388 -0.397 1.00 0.00 C ATOM 468 NH1 ARG A 34 -13.940 5.587 -1.462 1.00 0.00 N ATOM 469 NH2 ARG A 34 -15.033 7.336 -0.398 1.00 0.00 N ATOM 0 H ARG A 34 -10.033 1.570 3.615 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.290 4.007 2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.504 2.988 1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -11.983 3.126 3.251 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -12.668 5.250 2.872 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.019 5.708 2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.345 5.545 0.188 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.552 4.283 0.333 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.425 6.866 1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.220 4.865 -1.462 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.549 5.700 -2.272 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.145 7.946 0.412 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -15.642 7.448 -1.209 1.00 0.00 H new ATOM 483 N VAL A 35 -8.916 5.338 4.163 1.00 0.00 N ATOM 484 CA VAL A 35 -8.664 6.151 5.340 1.00 0.00 C ATOM 485 C VAL A 35 -9.997 6.605 5.938 1.00 0.00 C ATOM 486 O VAL A 35 -10.698 7.427 5.348 1.00 0.00 O ATOM 487 CB VAL A 35 -7.741 7.318 4.982 1.00 0.00 C ATOM 488 CG1 VAL A 35 -7.574 8.269 6.170 1.00 0.00 C ATOM 489 CG2 VAL A 35 -6.384 6.813 4.488 1.00 0.00 C ATOM 0 H VAL A 35 -8.425 5.641 3.322 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.148 5.568 6.103 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.206 7.876 4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.914 9.089 5.889 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.547 8.668 6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.142 7.727 7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.748 7.663 4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.910 6.220 5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.526 6.196 3.601 1.00 0.00 H new ATOM 499 N GLN A 36 -10.308 6.050 7.100 1.00 0.00 N ATOM 500 CA GLN A 36 -11.545 6.387 7.783 1.00 0.00 C ATOM 501 C GLN A 36 -11.372 7.675 8.590 1.00 0.00 C ATOM 502 O GLN A 36 -12.272 8.513 8.630 1.00 0.00 O ATOM 503 CB GLN A 36 -12.007 5.237 8.680 1.00 0.00 C ATOM 504 CG GLN A 36 -12.768 4.183 7.872 1.00 0.00 C ATOM 505 CD GLN A 36 -14.262 4.510 7.815 1.00 0.00 C ATOM 506 OE1 GLN A 36 -14.702 5.408 7.116 1.00 0.00 O ATOM 507 NE2 GLN A 36 -15.016 3.733 8.589 1.00 0.00 N ATOM 0 H GLN A 36 -9.724 5.369 7.586 1.00 0.00 H new ATOM 0 HA GLN A 36 -12.318 6.552 7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.144 4.778 9.162 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -12.647 5.624 9.473 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.364 4.133 6.861 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.624 3.201 8.322 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.584 2.999 9.150 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -16.026 3.872 8.621 1.00 0.00 H new ATOM 516 N LYS A 37 -10.208 7.794 9.212 1.00 0.00 N ATOM 517 CA LYS A 37 -9.906 8.966 10.016 1.00 0.00 C ATOM 518 C LYS A 37 -8.408 9.267 9.927 1.00 0.00 C ATOM 519 O LYS A 37 -7.588 8.351 9.897 1.00 0.00 O ATOM 520 CB LYS A 37 -10.411 8.780 11.447 1.00 0.00 C ATOM 521 CG LYS A 37 -9.459 7.895 12.255 1.00 0.00 C ATOM 522 CD LYS A 37 -9.823 7.910 13.740 1.00 0.00 C ATOM 523 CE LYS A 37 -9.520 6.560 14.393 1.00 0.00 C ATOM 524 NZ LYS A 37 -8.188 6.584 15.038 1.00 0.00 N ATOM 0 H LYS A 37 -9.463 7.098 9.175 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.432 9.839 9.629 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.508 9.752 11.931 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.404 8.331 11.430 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.499 6.873 11.878 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.434 8.243 12.125 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.264 8.697 14.247 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.881 8.145 13.856 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.285 6.328 15.134 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.553 5.771 13.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.998 5.660 15.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.460 6.784 14.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.169 7.324 15.768 1.00 0.00 H new ATOM 538 N GLY A 38 -8.097 10.554 9.887 1.00 0.00 N ATOM 539 CA GLY A 38 -6.712 10.987 9.802 1.00 0.00 C ATOM 540 C GLY A 38 -6.156 10.773 8.393 1.00 0.00 C ATOM 541 O GLY A 38 -6.902 10.807 7.416 1.00 0.00 O ATOM 0 H GLY A 38 -8.780 11.311 9.912 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.640 12.041 10.069 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.109 10.434 10.522 1.00 0.00 H new ATOM 545 N GLN A 39 -4.850 10.556 8.334 1.00 0.00 N ATOM 546 CA GLN A 39 -4.186 10.335 7.061 1.00 0.00 C ATOM 547 C GLN A 39 -3.112 9.254 7.203 1.00 0.00 C ATOM 548 O GLN A 39 -2.865 8.760 8.302 1.00 0.00 O ATOM 549 CB GLN A 39 -3.586 11.636 6.523 1.00 0.00 C ATOM 550 CG GLN A 39 -2.564 12.215 7.504 1.00 0.00 C ATOM 551 CD GLN A 39 -1.258 12.568 6.790 1.00 0.00 C ATOM 552 OE1 GLN A 39 -0.777 11.850 5.929 1.00 0.00 O ATOM 553 NE2 GLN A 39 -0.713 13.712 7.194 1.00 0.00 N ATOM 0 H GLN A 39 -4.235 10.529 9.147 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.928 9.990 6.341 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.108 11.450 5.561 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.380 12.362 6.349 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.975 13.106 7.979 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.366 11.493 8.296 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.168 14.265 7.920 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.160 14.036 6.778 1.00 0.00 H new ATOM 562 N LEU A 40 -2.503 8.918 6.075 1.00 0.00 N ATOM 563 CA LEU A 40 -1.462 7.905 6.060 1.00 0.00 C ATOM 564 C LEU A 40 -0.145 8.539 5.609 1.00 0.00 C ATOM 565 O LEU A 40 -0.079 9.151 4.544 1.00 0.00 O ATOM 566 CB LEU A 40 -1.892 6.708 5.208 1.00 0.00 C ATOM 567 CG LEU A 40 -3.236 6.075 5.570 1.00 0.00 C ATOM 568 CD1 LEU A 40 -3.564 4.910 4.634 1.00 0.00 C ATOM 569 CD2 LEU A 40 -3.265 5.654 7.041 1.00 0.00 C ATOM 0 H LEU A 40 -2.711 9.330 5.165 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.299 7.511 7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.931 7.025 4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.121 5.941 5.279 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.015 6.826 5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.525 4.478 4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.614 5.271 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.787 4.149 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.232 5.207 7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.475 4.927 7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.109 6.528 7.673 1.00 0.00 H new ATOM 581 N GLU A 41 0.871 8.372 6.443 1.00 0.00 N ATOM 582 CA GLU A 41 2.182 8.921 6.144 1.00 0.00 C ATOM 583 C GLU A 41 3.171 7.795 5.833 1.00 0.00 C ATOM 584 O GLU A 41 3.309 6.853 6.611 1.00 0.00 O ATOM 585 CB GLU A 41 2.688 9.792 7.296 1.00 0.00 C ATOM 586 CG GLU A 41 2.048 11.181 7.255 1.00 0.00 C ATOM 587 CD GLU A 41 2.755 12.139 8.216 1.00 0.00 C ATOM 588 OE1 GLU A 41 2.928 11.742 9.388 1.00 0.00 O ATOM 589 OE2 GLU A 41 3.107 13.247 7.756 1.00 0.00 O ATOM 0 H GLU A 41 0.812 7.864 7.326 1.00 0.00 H new ATOM 0 HA GLU A 41 2.095 9.556 5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.461 9.311 8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.772 9.885 7.237 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.095 11.577 6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.993 11.107 7.520 1.00 0.00 H new ATOM 596 N ARG A 42 3.833 7.930 4.693 1.00 0.00 N ATOM 597 CA ARG A 42 4.804 6.936 4.270 1.00 0.00 C ATOM 598 C ARG A 42 6.091 7.070 5.086 1.00 0.00 C ATOM 599 O ARG A 42 7.132 7.451 4.553 1.00 0.00 O ATOM 600 CB ARG A 42 5.134 7.086 2.783 1.00 0.00 C ATOM 601 CG ARG A 42 6.245 6.120 2.368 1.00 0.00 C ATOM 602 CD ARG A 42 5.764 5.172 1.268 1.00 0.00 C ATOM 603 NE ARG A 42 6.496 5.443 0.010 1.00 0.00 N ATOM 604 CZ ARG A 42 7.728 4.989 -0.255 1.00 0.00 C ATOM 605 NH1 ARG A 42 8.375 4.239 0.648 1.00 0.00 N ATOM 606 NH2 ARG A 42 8.314 5.285 -1.423 1.00 0.00 N ATOM 0 H ARG A 42 3.716 8.713 4.050 1.00 0.00 H new ATOM 0 HA ARG A 42 4.365 5.952 4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.241 6.896 2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.443 8.111 2.577 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.109 6.683 2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.572 5.543 3.233 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.921 4.138 1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.693 5.299 1.110 1.00 0.00 H new ATOM 0 HE ARG A 42 6.033 6.011 -0.699 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.929 4.014 1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.313 3.893 0.446 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.822 5.856 -2.110 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.252 4.939 -1.625 1.00 0.00 H new ATOM 620 N HIS A 43 5.978 6.750 6.367 1.00 0.00 N ATOM 621 CA HIS A 43 7.120 6.830 7.262 1.00 0.00 C ATOM 622 C HIS A 43 6.706 6.373 8.662 1.00 0.00 C ATOM 623 O HIS A 43 7.383 5.548 9.275 1.00 0.00 O ATOM 624 CB HIS A 43 7.722 8.236 7.251 1.00 0.00 C ATOM 625 CG HIS A 43 9.224 8.263 7.402 1.00 0.00 C ATOM 626 ND1 HIS A 43 10.018 9.240 6.828 1.00 0.00 N ATOM 627 CD2 HIS A 43 10.067 7.423 8.068 1.00 0.00 C ATOM 628 CE1 HIS A 43 11.281 8.989 7.140 1.00 0.00 C ATOM 629 NE2 HIS A 43 11.310 7.862 7.908 1.00 0.00 N ATOM 0 H HIS A 43 5.113 6.435 6.806 1.00 0.00 H new ATOM 0 HA HIS A 43 7.906 6.159 6.916 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.452 8.728 6.317 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.276 8.817 8.058 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.773 6.549 8.630 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.137 9.574 6.839 1.00 0.00 H new ATOM 0 HE2 HIS A 43 12.148 7.428 8.295 1.00 0.00 H new ATOM 637 N LYS A 44 5.598 6.928 9.128 1.00 0.00 N ATOM 638 CA LYS A 44 5.086 6.588 10.445 1.00 0.00 C ATOM 639 C LYS A 44 5.039 5.066 10.592 1.00 0.00 C ATOM 640 O LYS A 44 5.349 4.338 9.650 1.00 0.00 O ATOM 641 CB LYS A 44 3.739 7.272 10.690 1.00 0.00 C ATOM 642 CG LYS A 44 3.890 8.794 10.696 1.00 0.00 C ATOM 643 CD LYS A 44 4.448 9.284 12.034 1.00 0.00 C ATOM 644 CE LYS A 44 4.080 10.749 12.278 1.00 0.00 C ATOM 645 NZ LYS A 44 5.175 11.446 12.990 1.00 0.00 N ATOM 0 H LYS A 44 5.039 7.612 8.617 1.00 0.00 H new ATOM 0 HA LYS A 44 5.753 6.963 11.221 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.031 6.976 9.916 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.327 6.940 11.643 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.553 9.100 9.887 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.923 9.260 10.509 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.057 8.667 12.843 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.532 9.171 12.043 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.883 11.244 11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.162 10.807 12.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.910 12.439 13.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.344 10.983 13.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.042 11.406 12.417 1.00 0.00 H new ATOM 659 N LYS A 45 4.649 4.630 11.781 1.00 0.00 N ATOM 660 CA LYS A 45 4.558 3.207 12.063 1.00 0.00 C ATOM 661 C LYS A 45 3.129 2.730 11.798 1.00 0.00 C ATOM 662 O LYS A 45 2.178 3.498 11.938 1.00 0.00 O ATOM 663 CB LYS A 45 5.054 2.909 13.479 1.00 0.00 C ATOM 664 CG LYS A 45 6.580 2.817 13.518 1.00 0.00 C ATOM 665 CD LYS A 45 7.034 1.474 14.095 1.00 0.00 C ATOM 666 CE LYS A 45 7.993 1.679 15.270 1.00 0.00 C ATOM 667 NZ LYS A 45 8.663 0.407 15.619 1.00 0.00 N ATOM 0 H LYS A 45 4.393 5.237 12.560 1.00 0.00 H new ATOM 0 HA LYS A 45 5.211 2.643 11.397 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.716 3.691 14.159 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.621 1.973 13.830 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.981 2.939 12.512 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.982 3.631 14.122 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.166 0.903 14.425 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.525 0.887 13.318 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.739 2.431 15.012 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.445 2.057 16.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.310 0.563 16.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.948 -0.300 15.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.202 0.062 14.799 1.00 0.00 H new ATOM 681 N PHE A 46 3.021 1.465 11.420 1.00 0.00 N ATOM 682 CA PHE A 46 1.724 0.876 11.134 1.00 0.00 C ATOM 683 C PHE A 46 1.661 -0.573 11.620 1.00 0.00 C ATOM 684 O PHE A 46 2.676 -1.144 12.016 1.00 0.00 O ATOM 685 CB PHE A 46 1.546 0.901 9.615 1.00 0.00 C ATOM 686 CG PHE A 46 1.548 2.307 9.011 1.00 0.00 C ATOM 687 CD1 PHE A 46 2.688 3.048 9.016 1.00 0.00 C ATOM 688 CD2 PHE A 46 0.408 2.816 8.470 1.00 0.00 C ATOM 689 CE1 PHE A 46 2.689 4.353 8.456 1.00 0.00 C ATOM 690 CE2 PHE A 46 0.410 4.120 7.909 1.00 0.00 C ATOM 691 CZ PHE A 46 1.550 4.861 7.914 1.00 0.00 C ATOM 0 H PHE A 46 3.812 0.831 11.305 1.00 0.00 H new ATOM 0 HA PHE A 46 0.940 1.436 11.644 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.345 0.319 9.156 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.607 0.409 9.361 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.593 2.644 9.446 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.498 2.228 8.467 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.594 4.942 8.461 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.494 4.524 7.478 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.551 5.853 7.487 1.00 0.00 H new ATOM 701 N LYS A 47 0.458 -1.127 11.573 1.00 0.00 N ATOM 702 CA LYS A 47 0.249 -2.499 12.003 1.00 0.00 C ATOM 703 C LYS A 47 -1.074 -3.012 11.432 1.00 0.00 C ATOM 704 O LYS A 47 -1.987 -2.230 11.173 1.00 0.00 O ATOM 705 CB LYS A 47 0.344 -2.604 13.527 1.00 0.00 C ATOM 706 CG LYS A 47 -0.564 -1.574 14.204 1.00 0.00 C ATOM 707 CD LYS A 47 -0.888 -1.990 15.640 1.00 0.00 C ATOM 708 CE LYS A 47 -0.060 -1.186 16.644 1.00 0.00 C ATOM 709 NZ LYS A 47 -0.535 -1.433 18.024 1.00 0.00 N ATOM 0 H LYS A 47 -0.382 -0.651 11.244 1.00 0.00 H new ATOM 0 HA LYS A 47 1.036 -3.144 11.613 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.062 -3.608 13.845 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.376 -2.448 13.843 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.077 -0.599 14.205 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.488 -1.468 13.635 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.950 -1.839 15.835 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.688 -3.054 15.768 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.991 -1.461 16.560 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.130 -0.123 16.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.038 -0.880 18.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.532 -1.148 18.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.445 -2.445 18.246 1.00 0.00 H new ATOM 723 N LEU A 48 -1.136 -4.324 11.253 1.00 0.00 N ATOM 724 CA LEU A 48 -2.333 -4.950 10.718 1.00 0.00 C ATOM 725 C LEU A 48 -3.093 -5.640 11.852 1.00 0.00 C ATOM 726 O LEU A 48 -2.557 -6.527 12.514 1.00 0.00 O ATOM 727 CB LEU A 48 -1.977 -5.884 9.559 1.00 0.00 C ATOM 728 CG LEU A 48 -3.157 -6.539 8.838 1.00 0.00 C ATOM 729 CD1 LEU A 48 -3.931 -5.512 8.010 1.00 0.00 C ATOM 730 CD2 LEU A 48 -2.691 -7.725 7.991 1.00 0.00 C ATOM 0 H LEU A 48 -0.377 -4.970 11.469 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.001 -4.198 10.298 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.399 -5.319 8.828 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.327 -6.672 9.940 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.843 -6.930 9.589 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.764 -6.003 7.508 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.313 -4.729 8.666 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.268 -5.071 7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.549 -8.173 7.489 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.974 -7.381 7.246 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.218 -8.468 8.634 1.00 0.00 H new ATOM 742 N ILE A 49 -4.331 -5.207 12.042 1.00 0.00 N ATOM 743 CA ILE A 49 -5.170 -5.771 13.085 1.00 0.00 C ATOM 744 C ILE A 49 -6.268 -6.623 12.445 1.00 0.00 C ATOM 745 O ILE A 49 -7.127 -6.104 11.735 1.00 0.00 O ATOM 746 CB ILE A 49 -5.703 -4.668 14.000 1.00 0.00 C ATOM 747 CG1 ILE A 49 -4.557 -3.928 14.694 1.00 0.00 C ATOM 748 CG2 ILE A 49 -6.714 -5.228 15.003 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.736 -3.122 13.686 1.00 0.00 C ATOM 0 H ILE A 49 -4.773 -4.472 11.491 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.587 -6.431 13.727 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.230 -3.939 13.384 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.959 -3.261 15.457 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.913 -4.644 15.204 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.077 -4.423 15.641 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.552 -5.671 14.466 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.233 -5.989 15.617 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.928 -2.606 14.205 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.316 -3.795 12.938 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.378 -2.390 13.196 1.00 0.00 H new ATOM 761 N ARG A 50 -6.203 -7.918 12.719 1.00 0.00 N ATOM 762 CA ARG A 50 -7.181 -8.847 12.178 1.00 0.00 C ATOM 763 C ARG A 50 -7.862 -9.620 13.310 1.00 0.00 C ATOM 764 O ARG A 50 -7.231 -10.444 13.970 1.00 0.00 O ATOM 765 CB ARG A 50 -6.525 -9.839 11.215 1.00 0.00 C ATOM 766 CG ARG A 50 -7.552 -10.833 10.669 1.00 0.00 C ATOM 767 CD ARG A 50 -6.874 -12.127 10.214 1.00 0.00 C ATOM 768 NE ARG A 50 -6.506 -12.030 8.784 1.00 0.00 N ATOM 769 CZ ARG A 50 -6.237 -13.087 8.005 1.00 0.00 C ATOM 770 NH1 ARG A 50 -6.292 -14.325 8.513 1.00 0.00 N ATOM 771 NH2 ARG A 50 -5.912 -12.904 6.718 1.00 0.00 N ATOM 0 H ARG A 50 -5.489 -8.346 13.308 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.924 -8.265 11.632 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.062 -9.298 10.389 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.729 -10.378 11.729 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.292 -11.057 11.438 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.088 -10.385 9.832 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.984 -12.312 10.815 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.544 -12.972 10.369 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.454 -11.101 8.365 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.539 -14.464 9.493 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.087 -15.129 7.920 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.869 -11.961 6.332 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.707 -13.708 6.124 1.00 0.00 H new ATOM 785 N ASN A 51 -9.139 -9.325 13.500 1.00 0.00 N ATOM 786 CA ASN A 51 -9.912 -9.982 14.541 1.00 0.00 C ATOM 787 C ASN A 51 -9.772 -9.197 15.846 1.00 0.00 C ATOM 788 O ASN A 51 -10.639 -9.271 16.716 1.00 0.00 O ATOM 789 CB ASN A 51 -9.406 -11.405 14.788 1.00 0.00 C ATOM 790 CG ASN A 51 -10.533 -12.308 15.291 1.00 0.00 C ATOM 791 OD1 ASN A 51 -11.640 -11.871 15.563 1.00 0.00 O ATOM 792 ND2 ASN A 51 -10.192 -13.589 15.401 1.00 0.00 N ATOM 0 H ASN A 51 -9.658 -8.640 12.951 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.952 -10.021 14.216 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.993 -11.813 13.866 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.597 -11.386 15.519 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.875 -14.272 15.730 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.248 -13.888 15.157 1.00 0.00 H new ATOM 799 N GLY A 52 -8.673 -8.463 15.943 1.00 0.00 N ATOM 800 CA GLY A 52 -8.408 -7.665 17.128 1.00 0.00 C ATOM 801 C GLY A 52 -6.948 -7.798 17.564 1.00 0.00 C ATOM 802 O GLY A 52 -6.467 -7.018 18.385 1.00 0.00 O ATOM 0 H GLY A 52 -7.956 -8.404 15.220 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.637 -6.619 16.925 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.064 -7.983 17.939 1.00 0.00 H new ATOM 806 N GLN A 53 -6.282 -8.793 16.995 1.00 0.00 N ATOM 807 CA GLN A 53 -4.886 -9.039 17.314 1.00 0.00 C ATOM 808 C GLN A 53 -3.984 -8.496 16.204 1.00 0.00 C ATOM 809 O GLN A 53 -4.377 -8.469 15.038 1.00 0.00 O ATOM 810 CB GLN A 53 -4.632 -10.529 17.549 1.00 0.00 C ATOM 811 CG GLN A 53 -4.455 -11.270 16.222 1.00 0.00 C ATOM 812 CD GLN A 53 -4.548 -12.784 16.423 1.00 0.00 C ATOM 813 OE1 GLN A 53 -3.572 -13.460 16.704 1.00 0.00 O ATOM 814 NE2 GLN A 53 -5.773 -13.277 16.264 1.00 0.00 N ATOM 0 H GLN A 53 -6.684 -9.438 16.315 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.646 -8.514 18.238 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.741 -10.657 18.163 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.466 -10.961 18.103 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.219 -10.946 15.516 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.489 -11.016 15.786 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.546 -12.655 16.029 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.939 -14.277 16.377 1.00 0.00 H new ATOM 823 N VAL A 54 -2.793 -8.078 16.605 1.00 0.00 N ATOM 824 CA VAL A 54 -1.832 -7.538 15.658 1.00 0.00 C ATOM 825 C VAL A 54 -1.006 -8.682 15.067 1.00 0.00 C ATOM 826 O VAL A 54 -0.526 -9.548 15.798 1.00 0.00 O ATOM 827 CB VAL A 54 -0.973 -6.469 16.337 1.00 0.00 C ATOM 828 CG1 VAL A 54 0.341 -6.260 15.581 1.00 0.00 C ATOM 829 CG2 VAL A 54 -1.742 -5.154 16.475 1.00 0.00 C ATOM 0 H VAL A 54 -2.471 -8.102 17.573 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.345 -7.047 14.831 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.730 -6.821 17.340 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.933 -5.495 16.084 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.900 -7.195 15.558 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.127 -5.940 14.561 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.109 -4.411 16.961 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.029 -4.795 15.487 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.636 -5.317 17.076 1.00 0.00 H new ATOM 839 N ILE A 55 -0.866 -8.650 13.750 1.00 0.00 N ATOM 840 CA ILE A 55 -0.106 -9.674 13.053 1.00 0.00 C ATOM 841 C ILE A 55 1.210 -9.075 12.554 1.00 0.00 C ATOM 842 O ILE A 55 2.260 -9.708 12.649 1.00 0.00 O ATOM 843 CB ILE A 55 -0.952 -10.308 11.947 1.00 0.00 C ATOM 844 CG1 ILE A 55 -1.808 -9.256 11.239 1.00 0.00 C ATOM 845 CG2 ILE A 55 -1.797 -11.460 12.495 1.00 0.00 C ATOM 846 CD1 ILE A 55 -3.158 -9.086 11.938 1.00 0.00 C ATOM 0 H ILE A 55 -1.266 -7.931 13.147 1.00 0.00 H new ATOM 0 HA ILE A 55 0.151 -10.487 13.732 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.278 -10.729 11.201 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.280 -8.303 11.224 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.966 -9.549 10.201 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.389 -11.893 11.688 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.142 -12.224 12.915 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.463 -11.085 13.272 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.746 -8.333 11.414 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.694 -10.035 11.930 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.997 -8.769 12.968 1.00 0.00 H new ATOM 858 N TRP A 56 1.111 -7.861 12.032 1.00 0.00 N ATOM 859 CA TRP A 56 2.281 -7.169 11.518 1.00 0.00 C ATOM 860 C TRP A 56 2.381 -5.817 12.227 1.00 0.00 C ATOM 861 O TRP A 56 1.380 -5.120 12.386 1.00 0.00 O ATOM 862 CB TRP A 56 2.217 -7.042 9.995 1.00 0.00 C ATOM 863 CG TRP A 56 3.371 -6.241 9.388 1.00 0.00 C ATOM 864 CD1 TRP A 56 4.552 -6.698 8.951 1.00 0.00 C ATOM 865 CD2 TRP A 56 3.406 -4.815 9.169 1.00 0.00 C ATOM 866 NE1 TRP A 56 5.343 -5.675 8.467 1.00 0.00 N ATOM 867 CE2 TRP A 56 4.623 -4.494 8.604 1.00 0.00 C ATOM 868 CE3 TRP A 56 2.440 -3.829 9.438 1.00 0.00 C ATOM 869 CZ2 TRP A 56 4.988 -3.187 8.261 1.00 0.00 C ATOM 870 CZ3 TRP A 56 2.820 -2.528 9.089 1.00 0.00 C ATOM 871 CH2 TRP A 56 4.042 -2.188 8.520 1.00 0.00 C ATOM 0 H TRP A 56 0.238 -7.339 11.954 1.00 0.00 H new ATOM 0 HA TRP A 56 3.187 -7.738 11.725 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.212 -8.040 9.557 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.275 -6.568 9.719 1.00 0.00 H new ATOM 0 HD1 TRP A 56 4.848 -7.736 8.974 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.282 -5.769 8.080 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.481 -4.058 9.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.948 -2.961 7.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 2.114 -1.732 9.275 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.261 -1.158 8.279 1.00 0.00 H new ATOM 882 N LYS A 57 3.597 -5.488 12.635 1.00 0.00 N ATOM 883 CA LYS A 57 3.841 -4.232 13.324 1.00 0.00 C ATOM 884 C LYS A 57 5.136 -3.609 12.797 1.00 0.00 C ATOM 885 O LYS A 57 6.207 -4.202 12.917 1.00 0.00 O ATOM 886 CB LYS A 57 3.831 -4.441 14.839 1.00 0.00 C ATOM 887 CG LYS A 57 4.904 -5.446 15.261 1.00 0.00 C ATOM 888 CD LYS A 57 4.295 -6.590 16.074 1.00 0.00 C ATOM 889 CE LYS A 57 4.036 -7.813 15.192 1.00 0.00 C ATOM 890 NZ LYS A 57 4.259 -9.060 15.956 1.00 0.00 N ATOM 0 H LYS A 57 4.425 -6.069 12.502 1.00 0.00 H new ATOM 0 HA LYS A 57 3.039 -3.523 13.118 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.001 -3.489 15.342 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.850 -4.797 15.154 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.399 -5.847 14.377 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.668 -4.941 15.853 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.967 -6.860 16.888 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.361 -6.261 16.528 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.013 -7.788 14.817 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.695 -7.789 14.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.079 -9.880 15.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.242 -9.089 16.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.613 -9.088 16.770 1.00 0.00 H new ATOM 904 N GLY A 58 4.995 -2.422 12.226 1.00 0.00 N ATOM 905 CA GLY A 58 6.140 -1.713 11.681 1.00 0.00 C ATOM 906 C GLY A 58 5.699 -0.666 10.655 1.00 0.00 C ATOM 907 O GLY A 58 4.513 -0.358 10.548 1.00 0.00 O ATOM 0 H GLY A 58 4.105 -1.933 12.129 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.690 -1.228 12.488 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.822 -2.422 11.212 1.00 0.00 H new ATOM 911 N SER A 59 6.678 -0.149 9.928 1.00 0.00 N ATOM 912 CA SER A 59 6.406 0.857 8.915 1.00 0.00 C ATOM 913 C SER A 59 6.171 0.185 7.560 1.00 0.00 C ATOM 914 O SER A 59 6.690 -0.901 7.304 1.00 0.00 O ATOM 915 CB SER A 59 7.554 1.863 8.816 1.00 0.00 C ATOM 916 OG SER A 59 8.059 2.225 10.098 1.00 0.00 O ATOM 0 H SER A 59 7.660 -0.407 10.020 1.00 0.00 H new ATOM 0 HA SER A 59 5.507 1.400 9.205 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.359 1.437 8.217 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.209 2.757 8.297 1.00 0.00 H new ATOM 0 HG SER A 59 8.792 2.867 9.992 1.00 0.00 H new ATOM 922 N LEU A 60 5.389 0.858 6.729 1.00 0.00 N ATOM 923 CA LEU A 60 5.080 0.340 5.408 1.00 0.00 C ATOM 924 C LEU A 60 6.312 0.472 4.511 1.00 0.00 C ATOM 925 O LEU A 60 7.250 1.197 4.841 1.00 0.00 O ATOM 926 CB LEU A 60 3.832 1.023 4.843 1.00 0.00 C ATOM 927 CG LEU A 60 2.598 1.019 5.748 1.00 0.00 C ATOM 928 CD1 LEU A 60 1.745 2.268 5.516 1.00 0.00 C ATOM 929 CD2 LEU A 60 1.791 -0.268 5.569 1.00 0.00 C ATOM 0 H LEU A 60 4.960 1.758 6.945 1.00 0.00 H new ATOM 0 HA LEU A 60 4.838 -0.721 5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.083 2.057 4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.570 0.537 3.903 1.00 0.00 H new ATOM 0 HG LEU A 60 2.934 1.046 6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.874 2.241 6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.336 3.158 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.416 2.296 4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.920 -0.245 6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.464 -0.351 4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.413 -1.126 5.823 1.00 0.00 H new ATOM 941 N THR A 61 6.270 -0.238 3.393 1.00 0.00 N ATOM 942 CA THR A 61 7.372 -0.209 2.447 1.00 0.00 C ATOM 943 C THR A 61 7.018 0.666 1.243 1.00 0.00 C ATOM 944 O THR A 61 7.899 1.258 0.621 1.00 0.00 O ATOM 945 CB THR A 61 7.710 -1.653 2.069 1.00 0.00 C ATOM 946 OG1 THR A 61 6.769 -1.974 1.048 1.00 0.00 O ATOM 947 CG2 THR A 61 7.391 -2.642 3.193 1.00 0.00 C ATOM 0 H THR A 61 5.490 -0.837 3.121 1.00 0.00 H new ATOM 0 HA THR A 61 8.260 0.243 2.889 1.00 0.00 H new ATOM 0 HB THR A 61 8.767 -1.723 1.812 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.918 -2.894 0.743 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.649 -3.652 2.873 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.969 -2.383 4.080 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.327 -2.596 3.427 1.00 0.00 H new ATOM 955 N SER A 62 5.727 0.721 0.951 1.00 0.00 N ATOM 956 CA SER A 62 5.245 1.515 -0.167 1.00 0.00 C ATOM 957 C SER A 62 3.788 1.919 0.067 1.00 0.00 C ATOM 958 O SER A 62 3.077 1.273 0.835 1.00 0.00 O ATOM 959 CB SER A 62 5.378 0.748 -1.484 1.00 0.00 C ATOM 960 OG SER A 62 6.571 -0.031 -1.530 1.00 0.00 O ATOM 0 H SER A 62 4.999 0.229 1.469 1.00 0.00 H new ATOM 0 HA SER A 62 5.857 2.414 -0.237 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.514 0.096 -1.613 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.373 1.452 -2.316 1.00 0.00 H new ATOM 0 HG SER A 62 6.618 -0.507 -2.386 1.00 0.00 H new ATOM 966 N LEU A 63 3.387 2.985 -0.609 1.00 0.00 N ATOM 967 CA LEU A 63 2.028 3.483 -0.485 1.00 0.00 C ATOM 968 C LEU A 63 1.701 4.368 -1.689 1.00 0.00 C ATOM 969 O LEU A 63 2.306 5.424 -1.870 1.00 0.00 O ATOM 970 CB LEU A 63 1.835 4.181 0.863 1.00 0.00 C ATOM 971 CG LEU A 63 0.537 4.975 1.027 1.00 0.00 C ATOM 972 CD1 LEU A 63 -0.596 4.078 1.529 1.00 0.00 C ATOM 973 CD2 LEU A 63 0.749 6.191 1.931 1.00 0.00 C ATOM 0 H LEU A 63 3.980 3.518 -1.245 1.00 0.00 H new ATOM 0 HA LEU A 63 1.317 2.657 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.879 3.428 1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.674 4.858 1.023 1.00 0.00 H new ATOM 0 HG LEU A 63 0.240 5.350 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.506 4.668 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.767 3.273 0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.323 3.653 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.189 6.738 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.082 5.860 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.504 6.843 1.492 1.00 0.00 H new ATOM 985 N LYS A 64 0.745 3.906 -2.481 1.00 0.00 N ATOM 986 CA LYS A 64 0.331 4.643 -3.663 1.00 0.00 C ATOM 987 C LYS A 64 -1.179 4.885 -3.604 1.00 0.00 C ATOM 988 O LYS A 64 -1.882 4.252 -2.819 1.00 0.00 O ATOM 989 CB LYS A 64 0.790 3.922 -4.932 1.00 0.00 C ATOM 990 CG LYS A 64 2.313 3.783 -4.963 1.00 0.00 C ATOM 991 CD LYS A 64 2.811 3.525 -6.387 1.00 0.00 C ATOM 992 CE LYS A 64 4.063 2.646 -6.379 1.00 0.00 C ATOM 993 NZ LYS A 64 4.080 1.757 -7.562 1.00 0.00 N ATOM 0 H LYS A 64 0.245 3.030 -2.328 1.00 0.00 H new ATOM 0 HA LYS A 64 0.810 5.622 -3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.330 2.935 -4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.454 4.474 -5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.773 4.691 -4.572 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.620 2.964 -4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.026 3.041 -6.968 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.031 4.474 -6.876 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.955 3.273 -6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.089 2.049 -5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.936 1.167 -7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.239 1.146 -7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.077 2.332 -8.429 1.00 0.00 H new ATOM 1007 N HIS A 65 -1.632 5.802 -4.446 1.00 0.00 N ATOM 1008 CA HIS A 65 -3.045 6.135 -4.500 1.00 0.00 C ATOM 1009 C HIS A 65 -3.668 5.528 -5.759 1.00 0.00 C ATOM 1010 O HIS A 65 -4.204 6.248 -6.600 1.00 0.00 O ATOM 1011 CB HIS A 65 -3.251 7.648 -4.408 1.00 0.00 C ATOM 1012 CG HIS A 65 -4.668 8.093 -4.680 1.00 0.00 C ATOM 1013 ND1 HIS A 65 -5.773 7.390 -4.235 1.00 0.00 N ATOM 1014 CD2 HIS A 65 -5.147 9.177 -5.355 1.00 0.00 C ATOM 1015 CE1 HIS A 65 -6.863 8.030 -4.630 1.00 0.00 C ATOM 1016 NE2 HIS A 65 -6.473 9.137 -5.325 1.00 0.00 N ATOM 0 H HIS A 65 -1.045 6.325 -5.096 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.556 5.704 -3.639 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.960 7.984 -3.413 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.585 8.139 -5.117 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.752 6.525 -3.694 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.549 9.939 -5.833 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.882 7.728 -4.436 1.00 0.00 H new ATOM 1075 N ASP A 69 2.099 7.702 -7.177 1.00 0.00 N ATOM 1076 CA ASP A 69 3.016 7.508 -6.067 1.00 0.00 C ATOM 1077 C ASP A 69 2.916 8.702 -5.115 1.00 0.00 C ATOM 1078 O ASP A 69 3.713 9.635 -5.198 1.00 0.00 O ATOM 1079 CB ASP A 69 4.462 7.415 -6.557 1.00 0.00 C ATOM 1080 CG ASP A 69 4.649 6.670 -7.880 1.00 0.00 C ATOM 1081 OD1 ASP A 69 4.789 5.429 -7.818 1.00 0.00 O ATOM 1082 OD2 ASP A 69 4.648 7.357 -8.924 1.00 0.00 O ATOM 0 HA ASP A 69 2.745 6.580 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.858 8.424 -6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.058 6.920 -5.791 1.00 0.00 H new ATOM 1087 N ILE A 70 1.931 8.633 -4.232 1.00 0.00 N ATOM 1088 CA ILE A 70 1.717 9.696 -3.265 1.00 0.00 C ATOM 1089 C ILE A 70 2.415 9.335 -1.952 1.00 0.00 C ATOM 1090 O ILE A 70 2.894 8.213 -1.788 1.00 0.00 O ATOM 1091 CB ILE A 70 0.222 9.984 -3.107 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -0.007 11.302 -2.364 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -0.493 8.813 -2.431 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -1.313 11.962 -2.810 1.00 0.00 C ATOM 0 H ILE A 70 1.272 7.857 -4.166 1.00 0.00 H new ATOM 0 HA ILE A 70 2.162 10.626 -3.618 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.212 10.095 -4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.036 11.118 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.828 11.978 -2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.554 9.043 -2.331 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.372 7.915 -3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.063 8.645 -1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.452 12.897 -2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.270 12.167 -3.880 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.148 11.293 -2.601 1.00 0.00 H new ATOM 1106 N SER A 71 2.452 10.306 -1.052 1.00 0.00 N ATOM 1107 CA SER A 71 3.084 10.104 0.241 1.00 0.00 C ATOM 1108 C SER A 71 2.039 10.196 1.354 1.00 0.00 C ATOM 1109 O SER A 71 2.070 9.416 2.305 1.00 0.00 O ATOM 1110 CB SER A 71 4.199 11.125 0.474 1.00 0.00 C ATOM 1111 OG SER A 71 5.459 10.658 0.000 1.00 0.00 O ATOM 0 H SER A 71 2.055 11.235 -1.192 1.00 0.00 H new ATOM 0 HA SER A 71 3.531 9.110 0.252 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.946 12.059 -0.028 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.272 11.346 1.539 1.00 0.00 H new ATOM 0 HG SER A 71 6.144 11.339 0.166 1.00 0.00 H new ATOM 1117 N VAL A 72 1.139 11.156 1.200 1.00 0.00 N ATOM 1118 CA VAL A 72 0.086 11.360 2.181 1.00 0.00 C ATOM 1119 C VAL A 72 -1.259 10.963 1.569 1.00 0.00 C ATOM 1120 O VAL A 72 -1.468 11.119 0.367 1.00 0.00 O ATOM 1121 CB VAL A 72 0.112 12.805 2.683 1.00 0.00 C ATOM 1122 CG1 VAL A 72 -1.204 13.168 3.373 1.00 0.00 C ATOM 1123 CG2 VAL A 72 1.303 13.040 3.614 1.00 0.00 C ATOM 0 H VAL A 72 1.117 11.801 0.410 1.00 0.00 H new ATOM 0 HA VAL A 72 0.247 10.725 3.052 1.00 0.00 H new ATOM 0 HB VAL A 72 0.229 13.459 1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.160 14.200 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.027 13.058 2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.364 12.505 4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.298 14.075 3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.231 12.373 4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.230 12.840 3.077 1.00 0.00 H new ATOM 1133 N ILE A 73 -2.136 10.458 2.424 1.00 0.00 N ATOM 1134 CA ILE A 73 -3.455 10.038 1.982 1.00 0.00 C ATOM 1135 C ILE A 73 -4.512 10.617 2.925 1.00 0.00 C ATOM 1136 O ILE A 73 -4.609 10.206 4.080 1.00 0.00 O ATOM 1137 CB ILE A 73 -3.516 8.515 1.850 1.00 0.00 C ATOM 1138 CG1 ILE A 73 -2.594 8.024 0.732 1.00 0.00 C ATOM 1139 CG2 ILE A 73 -4.957 8.039 1.655 1.00 0.00 C ATOM 1140 CD1 ILE A 73 -3.191 8.326 -0.644 1.00 0.00 C ATOM 0 H ILE A 73 -1.959 10.330 3.420 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.666 10.429 0.987 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.155 8.077 2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.619 8.504 0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.432 6.951 0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.972 6.953 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.559 8.340 2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.368 8.485 0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.516 7.967 -1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.154 7.825 -0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.329 9.402 -0.753 1.00 0.00 H new ATOM 1152 N LYS A 74 -5.277 11.561 2.397 1.00 0.00 N ATOM 1153 CA LYS A 74 -6.323 12.200 3.178 1.00 0.00 C ATOM 1154 C LYS A 74 -7.369 11.156 3.571 1.00 0.00 C ATOM 1155 O LYS A 74 -7.172 9.961 3.353 1.00 0.00 O ATOM 1156 CB LYS A 74 -6.902 13.396 2.419 1.00 0.00 C ATOM 1157 CG LYS A 74 -5.815 14.426 2.107 1.00 0.00 C ATOM 1158 CD LYS A 74 -6.166 15.232 0.855 1.00 0.00 C ATOM 1159 CE LYS A 74 -4.902 15.697 0.130 1.00 0.00 C ATOM 1160 NZ LYS A 74 -4.945 17.158 -0.102 1.00 0.00 N ATOM 0 H LYS A 74 -5.194 11.899 1.438 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.915 12.606 4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.361 13.055 1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.689 13.861 3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.693 15.100 2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.860 13.920 1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.771 14.623 0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.769 16.096 1.132 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.022 15.442 0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.809 15.174 -0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.079 17.457 -0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.774 17.393 -0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.012 17.653 0.810 1.00 0.00 H new ATOM 1174 N THR A 75 -8.459 11.644 4.145 1.00 0.00 N ATOM 1175 CA THR A 75 -9.537 10.768 4.571 1.00 0.00 C ATOM 1176 C THR A 75 -10.430 10.404 3.383 1.00 0.00 C ATOM 1177 O THR A 75 -10.418 11.087 2.361 1.00 0.00 O ATOM 1178 CB THR A 75 -10.291 11.463 5.706 1.00 0.00 C ATOM 1179 OG1 THR A 75 -9.317 11.596 6.739 1.00 0.00 O ATOM 1180 CG2 THR A 75 -11.370 10.572 6.325 1.00 0.00 C ATOM 0 H THR A 75 -8.619 12.635 4.325 1.00 0.00 H new ATOM 0 HA THR A 75 -9.151 9.822 4.949 1.00 0.00 H new ATOM 0 HB THR A 75 -10.748 12.379 5.330 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.537 11.042 6.526 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.874 11.114 7.125 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.096 10.295 5.561 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.909 9.671 6.731 1.00 0.00 H new ATOM 1188 N GLY A 76 -11.182 9.327 3.557 1.00 0.00 N ATOM 1189 CA GLY A 76 -12.079 8.864 2.512 1.00 0.00 C ATOM 1190 C GLY A 76 -11.318 8.609 1.209 1.00 0.00 C ATOM 1191 O GLY A 76 -11.916 8.562 0.136 1.00 0.00 O ATOM 0 H GLY A 76 -11.188 8.762 4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.575 7.948 2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.859 9.606 2.342 1.00 0.00 H new ATOM 1195 N MET A 77 -10.009 8.451 1.347 1.00 0.00 N ATOM 1196 CA MET A 77 -9.160 8.203 0.195 1.00 0.00 C ATOM 1197 C MET A 77 -8.751 6.730 0.122 1.00 0.00 C ATOM 1198 O MET A 77 -8.426 6.122 1.141 1.00 0.00 O ATOM 1199 CB MET A 77 -7.908 9.077 0.285 1.00 0.00 C ATOM 1200 CG MET A 77 -8.189 10.492 -0.224 1.00 0.00 C ATOM 1201 SD MET A 77 -7.478 10.710 -1.847 1.00 0.00 S ATOM 1202 CE MET A 77 -5.752 10.466 -1.464 1.00 0.00 C ATOM 0 H MET A 77 -9.516 8.490 2.239 1.00 0.00 H new ATOM 0 HA MET A 77 -9.722 8.450 -0.706 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.564 9.120 1.318 1.00 0.00 H new ATOM 0 HB3 MET A 77 -7.105 8.629 -0.300 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.264 10.667 -0.263 1.00 0.00 H new ATOM 0 HG3 MET A 77 -7.772 11.225 0.466 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.161 11.256 -1.928 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.612 10.494 -0.383 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.428 9.498 -1.847 1.00 0.00 H new ATOM 1212 N ASP A 78 -8.781 6.200 -1.091 1.00 0.00 N ATOM 1213 CA ASP A 78 -8.417 4.810 -1.310 1.00 0.00 C ATOM 1214 C ASP A 78 -6.943 4.730 -1.711 1.00 0.00 C ATOM 1215 O ASP A 78 -6.490 5.476 -2.578 1.00 0.00 O ATOM 1216 CB ASP A 78 -9.248 4.194 -2.437 1.00 0.00 C ATOM 1217 CG ASP A 78 -10.692 4.693 -2.524 1.00 0.00 C ATOM 1218 OD1 ASP A 78 -10.877 5.801 -3.072 1.00 0.00 O ATOM 1219 OD2 ASP A 78 -11.577 3.955 -2.040 1.00 0.00 O ATOM 0 H ASP A 78 -9.052 6.708 -1.933 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.602 4.263 -0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.752 4.397 -3.386 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.261 3.112 -2.309 1.00 0.00 H new ATOM 1224 N CYS A 79 -6.235 3.819 -1.060 1.00 0.00 N ATOM 1225 CA CYS A 79 -4.821 3.631 -1.338 1.00 0.00 C ATOM 1226 C CYS A 79 -4.452 2.186 -1.000 1.00 0.00 C ATOM 1227 O CYS A 79 -5.170 1.515 -0.260 1.00 0.00 O ATOM 1228 CB CYS A 79 -3.956 4.635 -0.572 1.00 0.00 C ATOM 1229 SG CYS A 79 -4.308 4.524 1.221 1.00 0.00 S ATOM 0 H CYS A 79 -6.614 3.203 -0.341 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.628 3.816 -2.395 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.901 4.434 -0.757 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -4.155 5.646 -0.928 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.516 3.649 1.765 1.00 0.00 H new ATOM 1235 N GLY A 80 -3.333 1.748 -1.558 1.00 0.00 N ATOM 1236 CA GLY A 80 -2.860 0.394 -1.325 1.00 0.00 C ATOM 1237 C GLY A 80 -1.506 0.401 -0.613 1.00 0.00 C ATOM 1238 O GLY A 80 -0.619 1.177 -0.966 1.00 0.00 O ATOM 0 H GLY A 80 -2.740 2.307 -2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.588 -0.151 -0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.773 -0.133 -2.275 1.00 0.00 H new ATOM 1242 N LEU A 81 -1.389 -0.472 0.377 1.00 0.00 N ATOM 1243 CA LEU A 81 -0.158 -0.576 1.141 1.00 0.00 C ATOM 1244 C LEU A 81 0.252 -2.047 1.242 1.00 0.00 C ATOM 1245 O LEU A 81 -0.566 -2.939 1.024 1.00 0.00 O ATOM 1246 CB LEU A 81 -0.310 0.114 2.498 1.00 0.00 C ATOM 1247 CG LEU A 81 -1.496 -0.339 3.352 1.00 0.00 C ATOM 1248 CD1 LEU A 81 -1.153 -1.605 4.139 1.00 0.00 C ATOM 1249 CD2 LEU A 81 -1.977 0.791 4.265 1.00 0.00 C ATOM 0 H LEU A 81 -2.127 -1.114 0.667 1.00 0.00 H new ATOM 0 HA LEU A 81 0.652 -0.053 0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.605 -0.045 3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.398 1.187 2.330 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.322 -0.588 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.013 -1.906 4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.896 -2.406 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.306 -1.407 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.821 0.443 4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.166 1.095 4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.288 1.642 3.658 1.00 0.00 H new ATOM 1261 N SER A 82 1.518 -2.254 1.572 1.00 0.00 N ATOM 1262 CA SER A 82 2.047 -3.601 1.705 1.00 0.00 C ATOM 1263 C SER A 82 3.058 -3.656 2.851 1.00 0.00 C ATOM 1264 O SER A 82 3.684 -2.650 3.180 1.00 0.00 O ATOM 1265 CB SER A 82 2.697 -4.068 0.401 1.00 0.00 C ATOM 1266 OG SER A 82 3.281 -5.361 0.529 1.00 0.00 O ATOM 0 H SER A 82 2.194 -1.511 1.751 1.00 0.00 H new ATOM 0 HA SER A 82 1.218 -4.273 1.928 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.949 -4.085 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.463 -3.352 0.101 1.00 0.00 H new ATOM 0 HG SER A 82 2.580 -6.044 0.473 1.00 0.00 H new ATOM 1272 N LEU A 83 3.186 -4.842 3.428 1.00 0.00 N ATOM 1273 CA LEU A 83 4.110 -5.042 4.532 1.00 0.00 C ATOM 1274 C LEU A 83 5.364 -5.753 4.018 1.00 0.00 C ATOM 1275 O LEU A 83 5.279 -6.614 3.143 1.00 0.00 O ATOM 1276 CB LEU A 83 3.419 -5.771 5.685 1.00 0.00 C ATOM 1277 CG LEU A 83 1.982 -5.340 5.986 1.00 0.00 C ATOM 1278 CD1 LEU A 83 1.295 -6.335 6.924 1.00 0.00 C ATOM 1279 CD2 LEU A 83 1.941 -3.912 6.535 1.00 0.00 C ATOM 0 H LEU A 83 2.665 -5.674 3.152 1.00 0.00 H new ATOM 0 HA LEU A 83 4.430 -4.083 4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.419 -6.839 5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.016 -5.631 6.586 1.00 0.00 H new ATOM 0 HG LEU A 83 1.423 -5.341 5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.275 -6.004 7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.273 -7.320 6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.846 -6.390 7.863 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.908 -3.631 6.740 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.521 -3.860 7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.364 -3.227 5.800 1.00 0.00 H new ATOM 1291 N ASP A 84 6.498 -5.367 4.584 1.00 0.00 N ATOM 1292 CA ASP A 84 7.767 -5.957 4.195 1.00 0.00 C ATOM 1293 C ASP A 84 7.641 -7.481 4.207 1.00 0.00 C ATOM 1294 O ASP A 84 8.323 -8.170 3.449 1.00 0.00 O ATOM 1295 CB ASP A 84 8.879 -5.566 5.171 1.00 0.00 C ATOM 1296 CG ASP A 84 9.279 -4.090 5.139 1.00 0.00 C ATOM 1297 OD1 ASP A 84 8.610 -3.305 5.846 1.00 0.00 O ATOM 1298 OD2 ASP A 84 10.243 -3.779 4.407 1.00 0.00 O ATOM 0 H ASP A 84 6.564 -4.653 5.309 1.00 0.00 H new ATOM 0 HA ASP A 84 8.017 -5.592 3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.559 -5.818 6.182 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.760 -6.170 4.955 1.00 0.00 H new ATOM 1303 N GLU A 85 6.765 -7.964 5.075 1.00 0.00 N ATOM 1304 CA GLU A 85 6.541 -9.394 5.196 1.00 0.00 C ATOM 1305 C GLU A 85 5.426 -9.839 4.247 1.00 0.00 C ATOM 1306 O GLU A 85 4.379 -9.198 4.170 1.00 0.00 O ATOM 1307 CB GLU A 85 6.217 -9.779 6.641 1.00 0.00 C ATOM 1308 CG GLU A 85 6.311 -11.293 6.841 1.00 0.00 C ATOM 1309 CD GLU A 85 7.747 -11.715 7.162 1.00 0.00 C ATOM 1310 OE1 GLU A 85 8.139 -11.541 8.336 1.00 0.00 O ATOM 1311 OE2 GLU A 85 8.418 -12.201 6.227 1.00 0.00 O ATOM 0 H GLU A 85 6.201 -7.390 5.702 1.00 0.00 H new ATOM 0 HA GLU A 85 7.459 -9.910 4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.907 -9.276 7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.214 -9.437 6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.649 -11.598 7.651 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.970 -11.804 5.941 1.00 0.00 H new ATOM 1318 N GLU A 86 5.689 -10.934 3.549 1.00 0.00 N ATOM 1319 CA GLU A 86 4.721 -11.472 2.608 1.00 0.00 C ATOM 1320 C GLU A 86 3.815 -12.491 3.303 1.00 0.00 C ATOM 1321 O GLU A 86 2.649 -12.639 2.942 1.00 0.00 O ATOM 1322 CB GLU A 86 5.419 -12.095 1.398 1.00 0.00 C ATOM 1323 CG GLU A 86 6.417 -13.170 1.834 1.00 0.00 C ATOM 1324 CD GLU A 86 7.829 -12.593 1.950 1.00 0.00 C ATOM 1325 OE1 GLU A 86 7.967 -11.566 2.651 1.00 0.00 O ATOM 1326 OE2 GLU A 86 8.739 -13.191 1.337 1.00 0.00 O ATOM 0 H GLU A 86 6.558 -11.463 3.616 1.00 0.00 H new ATOM 0 HA GLU A 86 4.102 -10.651 2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.676 -12.532 0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.937 -11.320 0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.111 -13.588 2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.413 -13.988 1.114 1.00 0.00 H new ATOM 1333 N LYS A 87 4.387 -13.168 4.288 1.00 0.00 N ATOM 1334 CA LYS A 87 3.647 -14.169 5.037 1.00 0.00 C ATOM 1335 C LYS A 87 2.333 -13.561 5.532 1.00 0.00 C ATOM 1336 O LYS A 87 1.277 -14.182 5.423 1.00 0.00 O ATOM 1337 CB LYS A 87 4.514 -14.754 6.153 1.00 0.00 C ATOM 1338 CG LYS A 87 5.226 -16.025 5.686 1.00 0.00 C ATOM 1339 CD LYS A 87 4.930 -17.196 6.625 1.00 0.00 C ATOM 1340 CE LYS A 87 4.590 -18.461 5.834 1.00 0.00 C ATOM 1341 NZ LYS A 87 3.215 -18.913 6.143 1.00 0.00 N ATOM 0 H LYS A 87 5.355 -13.043 4.585 1.00 0.00 H new ATOM 0 HA LYS A 87 3.387 -15.010 4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.251 -14.016 6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.893 -14.979 7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.905 -16.275 4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.301 -15.850 5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.794 -17.383 7.263 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.099 -16.939 7.282 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.683 -18.265 4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.301 -19.250 6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.001 -19.772 5.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.138 -19.120 7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.538 -18.165 5.890 1.00 0.00 H new ATOM 1355 N VAL A 88 2.442 -12.354 6.067 1.00 0.00 N ATOM 1356 CA VAL A 88 1.276 -11.655 6.580 1.00 0.00 C ATOM 1357 C VAL A 88 0.316 -11.359 5.427 1.00 0.00 C ATOM 1358 O VAL A 88 0.706 -10.756 4.428 1.00 0.00 O ATOM 1359 CB VAL A 88 1.711 -10.396 7.334 1.00 0.00 C ATOM 1360 CG1 VAL A 88 2.491 -9.451 6.418 1.00 0.00 C ATOM 1361 CG2 VAL A 88 0.506 -9.686 7.956 1.00 0.00 C ATOM 0 H VAL A 88 3.320 -11.842 6.156 1.00 0.00 H new ATOM 0 HA VAL A 88 0.741 -12.279 7.296 1.00 0.00 H new ATOM 0 HB VAL A 88 2.374 -10.702 8.143 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.788 -8.564 6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.380 -9.959 6.043 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.861 -9.156 5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.842 -8.795 8.486 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.193 -9.399 7.170 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.009 -10.358 8.656 1.00 0.00 H new ATOM 1371 N GLU A 89 -0.922 -11.798 5.602 1.00 0.00 N ATOM 1372 CA GLU A 89 -1.942 -11.589 4.588 1.00 0.00 C ATOM 1373 C GLU A 89 -3.117 -10.802 5.172 1.00 0.00 C ATOM 1374 O GLU A 89 -3.637 -11.151 6.231 1.00 0.00 O ATOM 1375 CB GLU A 89 -2.411 -12.920 4.000 1.00 0.00 C ATOM 1376 CG GLU A 89 -1.389 -13.470 3.002 1.00 0.00 C ATOM 1377 CD GLU A 89 -1.469 -14.996 2.920 1.00 0.00 C ATOM 1378 OE1 GLU A 89 -2.610 -15.506 2.926 1.00 0.00 O ATOM 1379 OE2 GLU A 89 -0.387 -15.618 2.853 1.00 0.00 O ATOM 0 H GLU A 89 -1.242 -12.298 6.432 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.507 -11.005 3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.566 -13.642 4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.372 -12.784 3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.569 -13.039 2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.385 -13.170 3.302 1.00 0.00 H new ATOM 1386 N PHE A 90 -3.501 -9.756 4.456 1.00 0.00 N ATOM 1387 CA PHE A 90 -4.606 -8.917 4.890 1.00 0.00 C ATOM 1388 C PHE A 90 -5.951 -9.562 4.549 1.00 0.00 C ATOM 1389 O PHE A 90 -5.999 -10.708 4.104 1.00 0.00 O ATOM 1390 CB PHE A 90 -4.484 -7.592 4.136 1.00 0.00 C ATOM 1391 CG PHE A 90 -3.041 -7.137 3.907 1.00 0.00 C ATOM 1392 CD1 PHE A 90 -2.400 -6.404 4.857 1.00 0.00 C ATOM 1393 CD2 PHE A 90 -2.399 -7.465 2.754 1.00 0.00 C ATOM 1394 CE1 PHE A 90 -1.061 -5.981 4.645 1.00 0.00 C ATOM 1395 CE2 PHE A 90 -1.060 -7.043 2.542 1.00 0.00 C ATOM 1396 CZ PHE A 90 -0.419 -6.310 3.492 1.00 0.00 C ATOM 0 H PHE A 90 -3.067 -9.470 3.578 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.564 -8.776 5.970 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -4.981 -7.688 3.171 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.014 -6.819 4.692 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.910 -6.144 5.773 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.908 -8.047 1.999 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.553 -5.398 5.399 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.550 -7.304 1.626 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.600 -5.989 3.331 1.00 0.00 H new ATOM 1406 N LYS A 91 -7.010 -8.798 4.770 1.00 0.00 N ATOM 1407 CA LYS A 91 -8.352 -9.280 4.492 1.00 0.00 C ATOM 1408 C LYS A 91 -9.354 -8.146 4.717 1.00 0.00 C ATOM 1409 O LYS A 91 -9.065 -7.192 5.438 1.00 0.00 O ATOM 1410 CB LYS A 91 -8.651 -10.537 5.312 1.00 0.00 C ATOM 1411 CG LYS A 91 -8.798 -10.200 6.797 1.00 0.00 C ATOM 1412 CD LYS A 91 -9.445 -11.358 7.560 1.00 0.00 C ATOM 1413 CE LYS A 91 -10.740 -10.909 8.242 1.00 0.00 C ATOM 1414 NZ LYS A 91 -11.642 -12.064 8.450 1.00 0.00 N ATOM 0 H LYS A 91 -6.966 -7.848 5.139 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.440 -9.580 3.448 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.567 -11.003 4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.849 -11.263 5.178 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.819 -9.981 7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.403 -9.301 6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.657 -12.178 6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.749 -11.740 8.307 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.511 -10.442 9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.238 -10.156 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.516 -11.743 8.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.875 -12.493 7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.170 -12.769 9.051 1.00 0.00 H new ATOM 1428 N PRO A 92 -10.542 -8.292 4.071 1.00 0.00 N ATOM 1429 CA PRO A 92 -11.588 -7.291 4.194 1.00 0.00 C ATOM 1430 C PRO A 92 -12.279 -7.384 5.557 1.00 0.00 C ATOM 1431 O PRO A 92 -13.494 -7.560 5.630 1.00 0.00 O ATOM 1432 CB PRO A 92 -12.530 -7.561 3.032 1.00 0.00 C ATOM 1433 CG PRO A 92 -12.233 -8.980 2.576 1.00 0.00 C ATOM 1434 CD PRO A 92 -10.919 -9.408 3.210 1.00 0.00 C ATOM 0 HA PRO A 92 -11.202 -6.273 4.149 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -13.570 -7.460 3.341 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.367 -6.849 2.223 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.037 -9.653 2.873 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.165 -9.025 1.489 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.037 -10.328 3.783 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.158 -9.599 2.453 1.00 0.00 H new ATOM 1442 N GLY A 93 -11.474 -7.262 6.602 1.00 0.00 N ATOM 1443 CA GLY A 93 -11.992 -7.330 7.958 1.00 0.00 C ATOM 1444 C GLY A 93 -10.882 -7.082 8.982 1.00 0.00 C ATOM 1445 O GLY A 93 -10.893 -7.661 10.067 1.00 0.00 O ATOM 0 H GLY A 93 -10.467 -7.116 6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.782 -6.590 8.087 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.440 -8.309 8.131 1.00 0.00 H new ATOM 1449 N ASP A 94 -9.952 -6.219 8.601 1.00 0.00 N ATOM 1450 CA ASP A 94 -8.838 -5.887 9.472 1.00 0.00 C ATOM 1451 C ASP A 94 -8.781 -4.370 9.664 1.00 0.00 C ATOM 1452 O ASP A 94 -9.671 -3.650 9.215 1.00 0.00 O ATOM 1453 CB ASP A 94 -7.508 -6.336 8.863 1.00 0.00 C ATOM 1454 CG ASP A 94 -7.408 -7.832 8.560 1.00 0.00 C ATOM 1455 OD1 ASP A 94 -8.438 -8.518 8.741 1.00 0.00 O ATOM 1456 OD2 ASP A 94 -6.304 -8.257 8.156 1.00 0.00 O ATOM 0 H ASP A 94 -9.947 -5.740 7.701 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.990 -6.399 10.422 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.343 -5.782 7.939 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.703 -6.064 9.546 1.00 0.00 H new ATOM 1461 N GLN A 95 -7.726 -3.929 10.333 1.00 0.00 N ATOM 1462 CA GLN A 95 -7.541 -2.511 10.590 1.00 0.00 C ATOM 1463 C GLN A 95 -6.066 -2.132 10.444 1.00 0.00 C ATOM 1464 O GLN A 95 -5.184 -2.965 10.647 1.00 0.00 O ATOM 1465 CB GLN A 95 -8.070 -2.132 11.975 1.00 0.00 C ATOM 1466 CG GLN A 95 -9.512 -1.627 11.893 1.00 0.00 C ATOM 1467 CD GLN A 95 -9.848 -0.729 13.085 1.00 0.00 C ATOM 1468 OE1 GLN A 95 -9.021 -0.452 13.939 1.00 0.00 O ATOM 1469 NE2 GLN A 95 -11.104 -0.293 13.097 1.00 0.00 N ATOM 0 H GLN A 95 -6.990 -4.529 10.705 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.114 -1.950 9.852 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -8.021 -2.997 12.636 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.435 -1.361 12.412 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -9.655 -1.074 10.965 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.197 -2.475 11.867 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.745 -0.563 12.351 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.427 0.312 13.852 1.00 0.00 H new ATOM 1478 N VAL A 96 -5.843 -0.874 10.091 1.00 0.00 N ATOM 1479 CA VAL A 96 -4.490 -0.375 9.915 1.00 0.00 C ATOM 1480 C VAL A 96 -4.338 0.949 10.667 1.00 0.00 C ATOM 1481 O VAL A 96 -4.725 2.001 10.162 1.00 0.00 O ATOM 1482 CB VAL A 96 -4.166 -0.257 8.424 1.00 0.00 C ATOM 1483 CG1 VAL A 96 -2.971 0.670 8.195 1.00 0.00 C ATOM 1484 CG2 VAL A 96 -3.919 -1.634 7.806 1.00 0.00 C ATOM 0 H VAL A 96 -6.577 -0.186 9.922 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.767 -1.073 10.337 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.031 0.182 7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.762 0.737 7.127 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.201 1.663 8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.098 0.272 8.712 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.691 -1.522 6.746 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.079 -2.113 8.309 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.811 -2.250 7.922 1.00 0.00 H new ATOM 1494 N ILE A 97 -3.772 0.853 11.861 1.00 0.00 N ATOM 1495 CA ILE A 97 -3.564 2.029 12.687 1.00 0.00 C ATOM 1496 C ILE A 97 -2.211 2.657 12.342 1.00 0.00 C ATOM 1497 O ILE A 97 -1.169 2.027 12.514 1.00 0.00 O ATOM 1498 CB ILE A 97 -3.718 1.678 14.168 1.00 0.00 C ATOM 1499 CG1 ILE A 97 -5.191 1.484 14.535 1.00 0.00 C ATOM 1500 CG2 ILE A 97 -3.041 2.726 15.054 1.00 0.00 C ATOM 1501 CD1 ILE A 97 -5.848 0.441 13.629 1.00 0.00 C ATOM 0 H ILE A 97 -3.451 -0.022 12.276 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.327 2.779 12.480 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.213 0.729 14.348 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.272 1.170 15.576 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.720 2.433 14.446 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.166 2.452 16.102 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.979 2.773 14.815 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -3.496 3.701 14.877 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.894 0.322 13.911 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.787 0.770 12.592 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.332 -0.513 13.738 1.00 0.00 H new ATOM 1513 N CYS A 98 -2.273 3.890 11.860 1.00 0.00 N ATOM 1514 CA CYS A 98 -1.066 4.609 11.489 1.00 0.00 C ATOM 1515 C CYS A 98 -0.672 5.519 12.654 1.00 0.00 C ATOM 1516 O CYS A 98 -1.211 6.615 12.800 1.00 0.00 O ATOM 1517 CB CYS A 98 -1.253 5.394 10.189 1.00 0.00 C ATOM 1518 SG CYS A 98 0.169 6.516 9.927 1.00 0.00 S ATOM 0 H CYS A 98 -3.140 4.409 11.718 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.261 3.900 11.296 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.344 4.706 9.349 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -2.178 5.969 10.231 1.00 0.00 H new ATOM 0 HG CYS A 98 1.010 5.966 9.102 1.00 0.00 H new ATOM 1524 N TYR A 99 0.265 5.031 13.454 1.00 0.00 N ATOM 1525 CA TYR A 99 0.738 5.787 14.601 1.00 0.00 C ATOM 1526 C TYR A 99 2.253 5.650 14.762 1.00 0.00 C ATOM 1527 O TYR A 99 2.894 4.901 14.026 1.00 0.00 O ATOM 1528 CB TYR A 99 0.050 5.173 15.823 1.00 0.00 C ATOM 1529 CG TYR A 99 0.750 3.928 16.371 1.00 0.00 C ATOM 1530 CD1 TYR A 99 0.788 2.771 15.620 1.00 0.00 C ATOM 1531 CD2 TYR A 99 1.343 3.962 17.616 1.00 0.00 C ATOM 1532 CE1 TYR A 99 1.447 1.599 16.136 1.00 0.00 C ATOM 1533 CE2 TYR A 99 2.002 2.790 18.132 1.00 0.00 C ATOM 1534 CZ TYR A 99 2.021 1.667 17.367 1.00 0.00 C ATOM 1535 OH TYR A 99 2.644 0.560 17.854 1.00 0.00 O ATOM 0 H TYR A 99 0.709 4.121 13.330 1.00 0.00 H new ATOM 0 HA TYR A 99 0.512 6.847 14.481 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.005 5.923 16.612 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.975 4.914 15.558 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.324 2.744 14.645 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.313 4.868 18.204 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.484 0.687 15.559 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.471 2.803 19.105 1.00 0.00 H new ATOM 0 HH TYR A 99 3.009 0.754 18.743 1.00 0.00 H new