USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 THR OG1 : rot 30:sc= 0.625 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.396 F(o=-0.9,f=-0.4) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0469 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.147 F(o=-1,f=-0.15) USER MOD Single : A 40 SER OG : rot -113:sc= 0.0429 USER MOD Single : A 44 SER OG : rot 115:sc= 1.21 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 0.0731 (180deg=-0.0583) USER MOD Single : A 49 GLN : amide:sc= 0.638 K(o=0.64,f=-0.35) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 56 ASN : amide:sc= 0.949 K(o=0.95,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -6.29! C(o=-7.2!,f=-6.3!) USER MOD Single : A 67 GLN : amide:sc= -0.935! C(o=-0.94!,f=-5.2!) USER MOD Single : A 74 THR OG1 : rot 170:sc= -0.299 USER MOD Single : A 77 HIS : no HE2:sc= -3.39! C(o=-3.4!,f=-9.3!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.408 USER MOD Single : A 90 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 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 87:sc= 0.618 USER MOD Single : A 94 TYR OH : rot 135:sc= 1.2 USER MOD Single : A 98 TYR OH : rot 130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 144 N THR A 11 13.028 -7.805 1.704 1.00 0.00 N ATOM 145 CA THR A 11 12.976 -9.241 1.868 1.00 0.00 C ATOM 146 C THR A 11 11.660 -9.587 2.576 1.00 0.00 C ATOM 147 O THR A 11 10.993 -8.730 3.138 1.00 0.00 O ATOM 148 CB THR A 11 14.208 -9.683 2.664 1.00 0.00 C ATOM 149 OG1 THR A 11 15.304 -8.807 2.452 1.00 0.00 O ATOM 150 CG2 THR A 11 14.646 -11.083 2.262 1.00 0.00 C ATOM 0 HA THR A 11 12.996 -9.767 0.914 1.00 0.00 H new ATOM 0 HB THR A 11 13.920 -9.667 3.715 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.970 -7.904 2.267 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.522 -11.371 2.843 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.836 -11.787 2.454 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.894 -11.096 1.201 1.00 0.00 H new ATOM 158 N ALA A 12 11.285 -10.856 2.594 1.00 0.00 N ATOM 159 CA ALA A 12 10.020 -11.348 3.159 1.00 0.00 C ATOM 160 C ALA A 12 10.000 -11.266 4.677 1.00 0.00 C ATOM 161 O ALA A 12 8.975 -10.907 5.251 1.00 0.00 O ATOM 162 CB ALA A 12 9.760 -12.786 2.709 1.00 0.00 C ATOM 0 H ALA A 12 11.863 -11.601 2.206 1.00 0.00 H new ATOM 0 HA ALA A 12 9.227 -10.701 2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.820 -13.136 3.135 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.701 -12.822 1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.574 -13.426 3.049 1.00 0.00 H new ATOM 168 N ALA A 13 11.123 -11.569 5.325 1.00 0.00 N ATOM 169 CA ALA A 13 11.267 -11.325 6.752 1.00 0.00 C ATOM 170 C ALA A 13 11.277 -9.825 7.037 1.00 0.00 C ATOM 171 O ALA A 13 10.812 -9.392 8.089 1.00 0.00 O ATOM 172 CB ALA A 13 12.555 -11.968 7.255 1.00 0.00 C ATOM 0 H ALA A 13 11.943 -11.983 4.882 1.00 0.00 H new ATOM 0 HA ALA A 13 10.419 -11.768 7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.660 -11.784 8.324 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.520 -13.042 7.074 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.406 -11.538 6.727 1.00 0.00 H new ATOM 178 N GLU A 14 11.777 -9.029 6.093 1.00 0.00 N ATOM 179 CA GLU A 14 11.936 -7.602 6.244 1.00 0.00 C ATOM 180 C GLU A 14 10.591 -6.915 6.058 1.00 0.00 C ATOM 181 O GLU A 14 10.303 -5.924 6.715 1.00 0.00 O ATOM 182 CB GLU A 14 12.975 -7.135 5.212 1.00 0.00 C ATOM 183 CG GLU A 14 13.815 -5.958 5.730 1.00 0.00 C ATOM 184 CD GLU A 14 14.422 -6.197 7.122 1.00 0.00 C ATOM 185 OE1 GLU A 14 14.825 -7.337 7.462 1.00 0.00 O ATOM 186 OE2 GLU A 14 14.432 -5.246 7.933 1.00 0.00 O ATOM 0 H GLU A 14 12.087 -9.376 5.185 1.00 0.00 H new ATOM 0 HA GLU A 14 12.289 -7.343 7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.633 -7.966 4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.467 -6.841 4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.619 -5.758 5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.191 -5.065 5.764 1.00 0.00 H new ATOM 193 N ILE A 15 9.742 -7.470 5.202 1.00 0.00 N ATOM 194 CA ILE A 15 8.347 -7.160 5.072 1.00 0.00 C ATOM 195 C ILE A 15 7.651 -7.569 6.364 1.00 0.00 C ATOM 196 O ILE A 15 7.099 -6.699 7.027 1.00 0.00 O ATOM 197 CB ILE A 15 7.858 -7.766 3.723 1.00 0.00 C ATOM 198 CG1 ILE A 15 8.310 -6.776 2.625 1.00 0.00 C ATOM 199 CG2 ILE A 15 6.388 -8.221 3.689 1.00 0.00 C ATOM 200 CD1 ILE A 15 7.828 -7.129 1.217 1.00 0.00 C ATOM 0 H ILE A 15 10.040 -8.191 4.545 1.00 0.00 H new ATOM 0 HA ILE A 15 8.103 -6.101 4.984 1.00 0.00 H new ATOM 0 HB ILE A 15 8.320 -8.737 3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.949 -5.780 2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.399 -6.729 2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.155 -8.626 2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.228 -8.990 4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.739 -7.370 3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.191 -6.382 0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.211 -8.110 0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.738 -7.146 1.199 1.00 0.00 H new ATOM 212 N GLU A 16 7.732 -8.824 6.803 1.00 0.00 N ATOM 213 CA GLU A 16 7.046 -9.227 8.036 1.00 0.00 C ATOM 214 C GLU A 16 7.407 -8.349 9.248 1.00 0.00 C ATOM 215 O GLU A 16 6.503 -7.857 9.926 1.00 0.00 O ATOM 216 CB GLU A 16 7.309 -10.705 8.350 1.00 0.00 C ATOM 217 CG GLU A 16 6.090 -11.600 8.093 1.00 0.00 C ATOM 218 CD GLU A 16 4.947 -11.329 9.083 1.00 0.00 C ATOM 219 OE1 GLU A 16 5.016 -11.834 10.231 1.00 0.00 O ATOM 220 OE2 GLU A 16 3.987 -10.608 8.719 1.00 0.00 O ATOM 0 H GLU A 16 8.253 -9.567 6.338 1.00 0.00 H new ATOM 0 HA GLU A 16 5.982 -9.082 7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.144 -11.056 7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.609 -10.801 9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.732 -11.439 7.076 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.389 -12.646 8.164 1.00 0.00 H new ATOM 227 N GLN A 17 8.697 -8.127 9.530 1.00 0.00 N ATOM 228 CA GLN A 17 9.134 -7.372 10.704 1.00 0.00 C ATOM 229 C GLN A 17 9.194 -5.878 10.409 1.00 0.00 C ATOM 230 O GLN A 17 9.263 -5.067 11.337 1.00 0.00 O ATOM 231 CB GLN A 17 10.489 -7.876 11.230 1.00 0.00 C ATOM 232 CG GLN A 17 10.506 -9.372 11.584 1.00 0.00 C ATOM 233 CD GLN A 17 9.283 -9.740 12.413 1.00 0.00 C ATOM 234 OE1 GLN A 17 8.407 -10.570 11.877 1.00 0.00 O flip ATOM 235 NE2 GLN A 17 9.062 -9.213 13.498 1.00 0.00 N flip ATOM 0 H GLN A 17 9.464 -8.467 8.950 1.00 0.00 H new ATOM 0 HA GLN A 17 8.392 -7.535 11.486 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.254 -7.683 10.478 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.760 -7.301 12.115 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.526 -9.967 10.671 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.413 -9.610 12.139 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.746 -8.573 13.903 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.195 -9.414 13.996 1.00 0.00 H new ATOM 244 N GLY A 18 9.112 -5.499 9.138 1.00 0.00 N ATOM 245 CA GLY A 18 8.833 -4.152 8.709 1.00 0.00 C ATOM 246 C GLY A 18 7.424 -3.800 9.150 1.00 0.00 C ATOM 247 O GLY A 18 7.159 -2.719 9.687 1.00 0.00 O ATOM 0 H GLY A 18 9.243 -6.148 8.362 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.552 -3.457 9.143 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.925 -4.071 7.626 1.00 0.00 H new ATOM 251 N PHE A 19 6.504 -4.741 8.948 1.00 0.00 N ATOM 252 CA PHE A 19 5.080 -4.450 8.991 1.00 0.00 C ATOM 253 C PHE A 19 4.372 -4.963 10.224 1.00 0.00 C ATOM 254 O PHE A 19 3.200 -4.652 10.391 1.00 0.00 O ATOM 255 CB PHE A 19 4.460 -4.919 7.686 1.00 0.00 C ATOM 256 CG PHE A 19 5.195 -4.381 6.467 1.00 0.00 C ATOM 257 CD1 PHE A 19 5.858 -3.134 6.475 1.00 0.00 C ATOM 258 CD2 PHE A 19 5.281 -5.181 5.326 1.00 0.00 C ATOM 259 CE1 PHE A 19 6.666 -2.742 5.403 1.00 0.00 C ATOM 260 CE2 PHE A 19 6.043 -4.763 4.229 1.00 0.00 C ATOM 261 CZ PHE A 19 6.787 -3.576 4.284 1.00 0.00 C ATOM 0 H PHE A 19 6.726 -5.717 8.752 1.00 0.00 H new ATOM 0 HA PHE A 19 4.949 -3.372 9.084 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.463 -6.009 7.657 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.418 -4.602 7.648 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.739 -2.474 7.321 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.758 -6.125 5.290 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.194 -1.801 5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.058 -5.361 3.330 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.447 -3.307 3.472 1.00 0.00 H new ATOM 271 N LYS A 20 5.104 -5.586 11.149 1.00 0.00 N ATOM 272 CA LYS A 20 4.642 -6.006 12.481 1.00 0.00 C ATOM 273 C LYS A 20 3.879 -4.942 13.294 1.00 0.00 C ATOM 274 O LYS A 20 3.305 -5.223 14.346 1.00 0.00 O ATOM 275 CB LYS A 20 5.864 -6.534 13.262 1.00 0.00 C ATOM 276 CG LYS A 20 6.838 -5.394 13.619 1.00 0.00 C ATOM 277 CD LYS A 20 8.084 -5.852 14.381 1.00 0.00 C ATOM 278 CE LYS A 20 7.720 -6.219 15.822 1.00 0.00 C ATOM 279 NZ LYS A 20 8.905 -6.421 16.675 1.00 0.00 N ATOM 0 H LYS A 20 6.082 -5.825 10.986 1.00 0.00 H new ATOM 0 HA LYS A 20 3.894 -6.783 12.324 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.529 -7.028 14.174 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.383 -7.284 12.665 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.149 -4.896 12.701 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.309 -4.654 14.220 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.529 -6.712 13.881 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.832 -5.059 14.378 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.101 -5.429 16.248 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.120 -7.129 15.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.601 -6.667 17.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.485 -7.193 16.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.467 -5.546 16.702 1.00 0.00 H new ATOM 293 N ASP A 21 3.928 -3.692 12.860 1.00 0.00 N ATOM 294 CA ASP A 21 3.328 -2.539 13.516 1.00 0.00 C ATOM 295 C ASP A 21 1.817 -2.422 13.260 1.00 0.00 C ATOM 296 O ASP A 21 1.155 -1.616 13.916 1.00 0.00 O ATOM 297 CB ASP A 21 4.051 -1.280 13.027 1.00 0.00 C ATOM 298 CG ASP A 21 3.744 -0.077 13.913 1.00 0.00 C ATOM 299 OD1 ASP A 21 4.014 -0.139 15.136 1.00 0.00 O ATOM 300 OD2 ASP A 21 3.340 0.987 13.396 1.00 0.00 O ATOM 0 H ASP A 21 4.411 -3.441 11.998 1.00 0.00 H new ATOM 0 HA ASP A 21 3.442 -2.661 14.593 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.126 -1.459 13.015 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.752 -1.063 12.001 1.00 0.00 H new ATOM 305 N VAL A 22 1.263 -3.175 12.303 1.00 0.00 N ATOM 306 CA VAL A 22 -0.142 -3.166 11.886 1.00 0.00 C ATOM 307 C VAL A 22 -0.436 -4.489 11.141 1.00 0.00 C ATOM 308 O VAL A 22 0.505 -5.174 10.727 1.00 0.00 O ATOM 309 CB VAL A 22 -0.319 -1.888 11.041 1.00 0.00 C ATOM 310 CG1 VAL A 22 0.574 -1.889 9.798 1.00 0.00 C ATOM 311 CG2 VAL A 22 -1.727 -1.433 10.651 1.00 0.00 C ATOM 0 H VAL A 22 1.816 -3.845 11.769 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.861 -3.130 12.705 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.007 -1.140 11.770 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.415 -0.970 9.235 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.619 -1.952 10.101 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.325 -2.746 9.172 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.663 -0.520 10.060 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.212 -2.213 10.063 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.310 -1.242 11.552 1.00 0.00 H new ATOM 321 N PRO A 23 -1.696 -4.924 10.988 1.00 0.00 N ATOM 322 CA PRO A 23 -1.997 -6.200 10.353 1.00 0.00 C ATOM 323 C PRO A 23 -2.005 -6.086 8.822 1.00 0.00 C ATOM 324 O PRO A 23 -1.801 -5.013 8.242 1.00 0.00 O ATOM 325 CB PRO A 23 -3.344 -6.622 10.938 1.00 0.00 C ATOM 326 CG PRO A 23 -4.039 -5.291 11.183 1.00 0.00 C ATOM 327 CD PRO A 23 -2.909 -4.315 11.501 1.00 0.00 C ATOM 0 HA PRO A 23 -1.236 -6.954 10.553 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.906 -7.250 10.247 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.224 -7.191 11.860 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.603 -4.972 10.306 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.747 -5.360 12.009 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.087 -3.347 11.033 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.834 -4.141 12.575 1.00 0.00 H new ATOM 335 N SER A 24 -2.247 -7.221 8.175 1.00 0.00 N ATOM 336 CA SER A 24 -2.206 -7.409 6.733 1.00 0.00 C ATOM 337 C SER A 24 -3.617 -7.663 6.193 1.00 0.00 C ATOM 338 O SER A 24 -4.587 -7.732 6.953 1.00 0.00 O ATOM 339 CB SER A 24 -1.287 -8.599 6.400 1.00 0.00 C ATOM 340 OG SER A 24 -0.265 -8.860 7.361 1.00 0.00 O ATOM 0 H SER A 24 -2.490 -8.079 8.671 1.00 0.00 H new ATOM 0 HA SER A 24 -1.813 -6.508 6.262 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.901 -9.493 6.293 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.818 -8.417 5.433 1.00 0.00 H new ATOM 0 HG SER A 24 0.268 -9.630 7.071 1.00 0.00 H new ATOM 346 N PHE A 25 -3.740 -7.834 4.878 1.00 0.00 N ATOM 347 CA PHE A 25 -4.902 -8.386 4.210 1.00 0.00 C ATOM 348 C PHE A 25 -4.431 -9.356 3.132 1.00 0.00 C ATOM 349 O PHE A 25 -3.291 -9.258 2.673 1.00 0.00 O ATOM 350 CB PHE A 25 -5.647 -7.218 3.587 1.00 0.00 C ATOM 351 CG PHE A 25 -6.701 -7.608 2.574 1.00 0.00 C ATOM 352 CD1 PHE A 25 -7.972 -8.039 2.994 1.00 0.00 C ATOM 353 CD2 PHE A 25 -6.383 -7.573 1.203 1.00 0.00 C ATOM 354 CE1 PHE A 25 -8.925 -8.420 2.037 1.00 0.00 C ATOM 355 CE2 PHE A 25 -7.338 -7.942 0.249 1.00 0.00 C ATOM 356 CZ PHE A 25 -8.604 -8.374 0.670 1.00 0.00 C ATOM 0 H PHE A 25 -2.997 -7.579 4.227 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.553 -8.925 4.899 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.122 -6.642 4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.925 -6.560 3.104 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.213 -8.077 4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.399 -7.260 0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.905 -8.748 2.351 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.102 -7.894 -0.804 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.338 -8.674 -0.063 1.00 0.00 H new ATOM 366 N VAL A 26 -5.317 -10.246 2.692 1.00 0.00 N ATOM 367 CA VAL A 26 -5.075 -11.290 1.717 1.00 0.00 C ATOM 368 C VAL A 26 -6.290 -11.372 0.793 1.00 0.00 C ATOM 369 O VAL A 26 -7.415 -11.479 1.295 1.00 0.00 O ATOM 370 CB VAL A 26 -4.816 -12.608 2.475 1.00 0.00 C ATOM 371 CG1 VAL A 26 -5.007 -13.866 1.625 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.380 -12.633 3.000 1.00 0.00 C ATOM 0 H VAL A 26 -6.279 -10.252 3.031 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.200 -11.083 1.100 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.553 -12.626 3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.806 -14.749 2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.032 -13.904 1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.319 -13.842 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.204 -13.567 3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.685 -12.557 2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.225 -11.793 3.677 1.00 0.00 H new ATOM 382 N HIS A 27 -6.088 -11.356 -0.529 1.00 0.00 N ATOM 383 CA HIS A 27 -7.133 -11.777 -1.472 1.00 0.00 C ATOM 384 C HIS A 27 -6.697 -12.964 -2.339 1.00 0.00 C ATOM 385 O HIS A 27 -5.689 -13.610 -2.071 1.00 0.00 O ATOM 386 CB HIS A 27 -7.663 -10.586 -2.267 1.00 0.00 C ATOM 387 CG HIS A 27 -6.656 -9.850 -3.102 1.00 0.00 C ATOM 388 ND1 HIS A 27 -5.301 -10.049 -3.164 1.00 0.00 N flip ATOM 389 CD2 HIS A 27 -6.961 -8.779 -3.897 1.00 0.00 C flip ATOM 390 CE1 HIS A 27 -4.758 -9.061 -3.976 1.00 0.00 C flip ATOM 391 NE2 HIS A 27 -5.800 -8.324 -4.383 1.00 0.00 N flip ATOM 0 H HIS A 27 -5.217 -11.058 -0.969 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.976 -12.157 -0.895 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.460 -10.938 -2.922 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.112 -9.880 -1.569 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.945 -8.379 -4.094 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.717 -8.918 -4.226 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.718 -7.510 -4.993 1.00 0.00 H new ATOM 399 N GLU A 28 -7.466 -13.268 -3.377 1.00 0.00 N ATOM 400 CA GLU A 28 -7.425 -14.535 -4.108 1.00 0.00 C ATOM 401 C GLU A 28 -6.309 -14.671 -5.148 1.00 0.00 C ATOM 402 O GLU A 28 -6.219 -15.690 -5.830 1.00 0.00 O ATOM 403 CB GLU A 28 -8.812 -14.797 -4.742 1.00 0.00 C ATOM 404 CG GLU A 28 -9.433 -16.117 -4.268 1.00 0.00 C ATOM 405 CD GLU A 28 -10.053 -16.020 -2.872 1.00 0.00 C ATOM 406 OE1 GLU A 28 -9.451 -15.431 -1.945 1.00 0.00 O ATOM 407 OE2 GLU A 28 -11.174 -16.548 -2.682 1.00 0.00 O ATOM 0 H GLU A 28 -8.160 -12.619 -3.748 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.179 -15.297 -3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.483 -13.974 -4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.715 -14.814 -5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.199 -16.427 -4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.667 -16.892 -4.266 1.00 0.00 H new ATOM 414 N GLY A 29 -5.465 -13.655 -5.285 1.00 0.00 N ATOM 415 CA GLY A 29 -4.482 -13.519 -6.365 1.00 0.00 C ATOM 416 C GLY A 29 -5.147 -13.341 -7.737 1.00 0.00 C ATOM 417 O GLY A 29 -6.371 -13.428 -7.848 1.00 0.00 O ATOM 0 H GLY A 29 -5.442 -12.875 -4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.838 -12.663 -6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.843 -14.402 -6.385 1.00 0.00 H new ATOM 421 N GLY A 30 -4.360 -13.087 -8.784 1.00 0.00 N ATOM 422 CA GLY A 30 -4.844 -12.564 -10.061 1.00 0.00 C ATOM 423 C GLY A 30 -5.040 -11.053 -9.918 1.00 0.00 C ATOM 424 O GLY A 30 -5.595 -10.610 -8.911 1.00 0.00 O ATOM 0 H GLY A 30 -3.352 -13.242 -8.767 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.130 -12.781 -10.855 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.783 -13.044 -10.337 1.00 0.00 H new ATOM 428 N ASP A 31 -4.562 -10.258 -10.879 1.00 0.00 N ATOM 429 CA ASP A 31 -4.382 -8.812 -10.698 1.00 0.00 C ATOM 430 C ASP A 31 -5.667 -8.025 -10.428 1.00 0.00 C ATOM 431 O ASP A 31 -6.738 -8.377 -10.918 1.00 0.00 O ATOM 432 CB ASP A 31 -3.531 -8.196 -11.807 1.00 0.00 C ATOM 433 CG ASP A 31 -4.267 -8.082 -13.142 1.00 0.00 C ATOM 434 OD1 ASP A 31 -5.017 -7.107 -13.352 1.00 0.00 O ATOM 435 OD2 ASP A 31 -4.053 -8.941 -14.026 1.00 0.00 O ATOM 0 H ASP A 31 -4.289 -10.595 -11.802 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.822 -8.719 -9.767 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.203 -7.204 -11.495 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.634 -8.800 -11.945 1.00 0.00 H new ATOM 440 N VAL A 32 -5.564 -6.977 -9.598 1.00 0.00 N ATOM 441 CA VAL A 32 -6.684 -6.293 -8.937 1.00 0.00 C ATOM 442 C VAL A 32 -6.190 -4.916 -8.548 1.00 0.00 C ATOM 443 O VAL A 32 -5.071 -4.820 -8.058 1.00 0.00 O ATOM 444 CB VAL A 32 -7.124 -7.054 -7.665 1.00 0.00 C ATOM 445 CG1 VAL A 32 -7.893 -6.260 -6.589 1.00 0.00 C ATOM 446 CG2 VAL A 32 -7.985 -8.279 -7.969 1.00 0.00 C ATOM 0 H VAL A 32 -4.661 -6.566 -9.359 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.541 -6.242 -9.608 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.146 -7.312 -7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.137 -6.919 -5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.274 -5.437 -6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.813 -5.862 -7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.262 -8.770 -7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.887 -7.968 -8.497 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.422 -8.974 -8.592 1.00 0.00 H new ATOM 456 N PRO A 33 -6.987 -3.856 -8.712 1.00 0.00 N ATOM 457 CA PRO A 33 -6.511 -2.507 -8.536 1.00 0.00 C ATOM 458 C PRO A 33 -6.268 -2.198 -7.072 1.00 0.00 C ATOM 459 O PRO A 33 -7.033 -2.605 -6.187 1.00 0.00 O ATOM 460 CB PRO A 33 -7.575 -1.623 -9.188 1.00 0.00 C ATOM 461 CG PRO A 33 -8.853 -2.421 -8.965 1.00 0.00 C ATOM 462 CD PRO A 33 -8.390 -3.871 -9.065 1.00 0.00 C ATOM 0 HA PRO A 33 -5.542 -2.334 -9.003 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.625 -0.639 -8.722 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.376 -1.464 -10.248 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.295 -2.207 -7.992 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.608 -2.188 -9.716 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.957 -4.511 -8.390 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.537 -4.261 -10.072 1.00 0.00 H new ATOM 470 N LEU A 34 -5.246 -1.366 -6.846 1.00 0.00 N ATOM 471 CA LEU A 34 -4.953 -0.799 -5.543 1.00 0.00 C ATOM 472 C LEU A 34 -6.236 -0.264 -4.872 1.00 0.00 C ATOM 473 O LEU A 34 -6.433 -0.490 -3.684 1.00 0.00 O ATOM 474 CB LEU A 34 -3.693 0.088 -5.598 1.00 0.00 C ATOM 475 CG LEU A 34 -3.776 1.504 -6.178 1.00 0.00 C ATOM 476 CD1 LEU A 34 -2.384 2.134 -6.262 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.474 1.621 -7.533 1.00 0.00 C ATOM 0 H LEU A 34 -4.598 -1.070 -7.576 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.643 -1.561 -4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.315 0.177 -4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.941 -0.453 -6.171 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.409 2.047 -5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.464 3.139 -6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.947 2.186 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.748 1.526 -6.905 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.478 2.663 -7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.942 1.018 -8.269 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.500 1.265 -7.446 1.00 0.00 H new ATOM 489 N VAL A 35 -7.181 0.319 -5.621 1.00 0.00 N ATOM 490 CA VAL A 35 -8.415 0.925 -5.096 1.00 0.00 C ATOM 491 C VAL A 35 -9.519 -0.086 -4.762 1.00 0.00 C ATOM 492 O VAL A 35 -10.471 0.276 -4.072 1.00 0.00 O ATOM 493 CB VAL A 35 -8.819 2.124 -5.985 1.00 0.00 C ATOM 494 CG1 VAL A 35 -8.959 1.768 -7.474 1.00 0.00 C ATOM 495 CG2 VAL A 35 -10.069 2.876 -5.513 1.00 0.00 C ATOM 0 H VAL A 35 -7.108 0.385 -6.636 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.217 1.335 -4.106 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.973 2.802 -5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.244 2.658 -8.036 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.007 1.392 -7.849 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.725 1.002 -7.594 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.277 3.700 -6.195 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.919 2.194 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.900 3.269 -4.510 1.00 0.00 H new ATOM 505 N GLU A 36 -9.376 -1.360 -5.129 1.00 0.00 N ATOM 506 CA GLU A 36 -10.200 -2.416 -4.553 1.00 0.00 C ATOM 507 C GLU A 36 -9.449 -3.078 -3.406 1.00 0.00 C ATOM 508 O GLU A 36 -10.055 -3.362 -2.373 1.00 0.00 O ATOM 509 CB GLU A 36 -10.594 -3.463 -5.603 1.00 0.00 C ATOM 510 CG GLU A 36 -11.646 -2.951 -6.597 1.00 0.00 C ATOM 511 CD GLU A 36 -12.925 -2.420 -5.944 1.00 0.00 C ATOM 512 OE1 GLU A 36 -13.432 -2.983 -4.944 1.00 0.00 O ATOM 513 OE2 GLU A 36 -13.435 -1.386 -6.432 1.00 0.00 O ATOM 0 H GLU A 36 -8.699 -1.682 -5.820 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.119 -1.965 -4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.704 -3.772 -6.152 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.980 -4.348 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.204 -2.158 -7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.909 -3.760 -7.278 1.00 0.00 H new ATOM 520 N LEU A 37 -8.132 -3.293 -3.510 1.00 0.00 N ATOM 521 CA LEU A 37 -7.450 -4.075 -2.498 1.00 0.00 C ATOM 522 C LEU A 37 -7.202 -3.220 -1.278 1.00 0.00 C ATOM 523 O LEU A 37 -7.060 -3.803 -0.217 1.00 0.00 O ATOM 524 CB LEU A 37 -6.229 -4.837 -3.035 1.00 0.00 C ATOM 525 CG LEU A 37 -5.079 -4.027 -3.647 1.00 0.00 C ATOM 526 CD1 LEU A 37 -4.318 -3.171 -2.626 1.00 0.00 C ATOM 527 CD2 LEU A 37 -4.126 -5.004 -4.347 1.00 0.00 C ATOM 0 H LEU A 37 -7.541 -2.944 -4.264 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.102 -4.888 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.820 -5.429 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.581 -5.539 -3.791 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.508 -3.319 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.520 -2.627 -3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.004 -2.462 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.889 -3.815 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.299 -4.450 -4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.737 -5.717 -3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.664 -5.540 -5.129 1.00 0.00 H new ATOM 539 N LEU A 38 -7.262 -1.880 -1.345 1.00 0.00 N ATOM 540 CA LEU A 38 -7.203 -1.060 -0.164 1.00 0.00 C ATOM 541 C LEU A 38 -8.563 -1.041 0.535 1.00 0.00 C ATOM 542 O LEU A 38 -8.642 -0.794 1.730 1.00 0.00 O ATOM 543 CB LEU A 38 -6.665 0.360 -0.461 1.00 0.00 C ATOM 544 CG LEU A 38 -7.697 1.515 -0.403 1.00 0.00 C ATOM 545 CD1 LEU A 38 -7.019 2.888 -0.336 1.00 0.00 C ATOM 546 CD2 LEU A 38 -8.734 1.422 -1.521 1.00 0.00 C ATOM 0 H LEU A 38 -7.352 -1.357 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.483 -1.505 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.868 0.579 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.215 0.354 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.249 1.400 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.780 3.668 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.396 2.943 0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.398 3.031 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.435 2.253 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.232 1.466 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.276 0.480 -1.437 1.00 0.00 H new ATOM 558 N VAL A 39 -9.639 -1.238 -0.217 1.00 0.00 N ATOM 559 CA VAL A 39 -11.027 -1.143 0.219 1.00 0.00 C ATOM 560 C VAL A 39 -11.338 -2.427 0.975 1.00 0.00 C ATOM 561 O VAL A 39 -11.879 -2.407 2.082 1.00 0.00 O ATOM 562 CB VAL A 39 -11.876 -0.889 -1.057 1.00 0.00 C ATOM 563 CG1 VAL A 39 -12.885 -1.967 -1.478 1.00 0.00 C ATOM 564 CG2 VAL A 39 -12.659 0.423 -1.031 1.00 0.00 C ATOM 0 H VAL A 39 -9.562 -1.482 -1.204 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.248 -0.324 0.904 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.068 -0.880 -1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.401 -1.649 -2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.359 -2.902 -1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.612 -2.116 -0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.226 0.527 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.345 0.421 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.966 1.259 -0.934 1.00 0.00 H new ATOM 574 N SER A 40 -10.897 -3.537 0.391 1.00 0.00 N ATOM 575 CA SER A 40 -10.942 -4.846 0.980 1.00 0.00 C ATOM 576 C SER A 40 -9.936 -4.899 2.137 1.00 0.00 C ATOM 577 O SER A 40 -10.289 -5.385 3.211 1.00 0.00 O ATOM 578 CB SER A 40 -10.731 -5.913 -0.103 1.00 0.00 C ATOM 579 OG SER A 40 -11.647 -6.993 0.042 1.00 0.00 O ATOM 0 H SER A 40 -10.485 -3.535 -0.542 1.00 0.00 H new ATOM 0 HA SER A 40 -11.921 -5.062 1.409 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.852 -5.462 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.710 -6.291 -0.049 1.00 0.00 H new ATOM 0 HG SER A 40 -11.158 -7.805 0.290 1.00 0.00 H new ATOM 585 N ALA A 41 -8.729 -4.326 1.997 1.00 0.00 N ATOM 586 CA ALA A 41 -7.763 -4.411 3.093 1.00 0.00 C ATOM 587 C ALA A 41 -8.051 -3.414 4.218 1.00 0.00 C ATOM 588 O ALA A 41 -7.562 -3.601 5.333 1.00 0.00 O ATOM 589 CB ALA A 41 -6.340 -4.268 2.562 1.00 0.00 C ATOM 0 H ALA A 41 -8.412 -3.820 1.170 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.867 -5.400 3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.634 -4.334 3.390 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.136 -5.066 1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.231 -3.302 2.068 1.00 0.00 H new ATOM 595 N GLY A 42 -8.875 -2.395 3.971 1.00 0.00 N ATOM 596 CA GLY A 42 -9.438 -1.554 5.016 1.00 0.00 C ATOM 597 C GLY A 42 -8.538 -0.359 5.298 1.00 0.00 C ATOM 598 O GLY A 42 -8.470 0.138 6.419 1.00 0.00 O ATOM 0 H GLY A 42 -9.170 -2.132 3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.426 -1.207 4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.569 -2.138 5.927 1.00 0.00 H new ATOM 602 N ILE A 43 -7.876 0.127 4.251 1.00 0.00 N ATOM 603 CA ILE A 43 -7.085 1.338 4.227 1.00 0.00 C ATOM 604 C ILE A 43 -8.127 2.467 4.118 1.00 0.00 C ATOM 605 O ILE A 43 -7.960 3.469 4.813 1.00 0.00 O ATOM 606 CB ILE A 43 -6.119 1.275 3.016 1.00 0.00 C ATOM 607 CG1 ILE A 43 -4.942 0.259 3.021 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.449 2.640 2.762 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.361 -1.166 3.338 1.00 0.00 C ATOM 0 H ILE A 43 -7.883 -0.347 3.348 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.455 1.490 5.104 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.820 0.939 2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.456 0.276 2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.200 0.581 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.778 2.562 1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.214 3.388 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.880 2.936 3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.485 -1.815 3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.820 -1.199 4.326 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.079 -1.508 2.593 1.00 0.00 H new ATOM 621 N SER A 44 -9.177 2.320 3.286 1.00 0.00 N ATOM 622 CA SER A 44 -10.401 3.122 3.320 1.00 0.00 C ATOM 623 C SER A 44 -11.465 2.342 2.566 1.00 0.00 C ATOM 624 O SER A 44 -11.225 2.039 1.402 1.00 0.00 O ATOM 625 CB SER A 44 -10.206 4.488 2.673 1.00 0.00 C ATOM 626 OG SER A 44 -9.959 5.426 3.693 1.00 0.00 O ATOM 0 H SER A 44 -9.190 1.614 2.550 1.00 0.00 H new ATOM 0 HA SER A 44 -10.690 3.303 4.355 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.372 4.461 1.971 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.092 4.769 2.104 1.00 0.00 H new ATOM 0 HG SER A 44 -9.049 5.778 3.600 1.00 0.00 H new ATOM 632 N PRO A 45 -12.614 2.003 3.175 1.00 0.00 N ATOM 633 CA PRO A 45 -13.660 1.244 2.504 1.00 0.00 C ATOM 634 C PRO A 45 -14.595 2.129 1.675 1.00 0.00 C ATOM 635 O PRO A 45 -15.406 1.654 0.883 1.00 0.00 O ATOM 636 CB PRO A 45 -14.429 0.589 3.648 1.00 0.00 C ATOM 637 CG PRO A 45 -14.372 1.639 4.758 1.00 0.00 C ATOM 638 CD PRO A 45 -13.026 2.333 4.534 1.00 0.00 C ATOM 0 HA PRO A 45 -13.239 0.532 1.794 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.456 0.360 3.363 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.968 -0.349 3.958 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -15.202 2.342 4.687 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -14.427 1.181 5.746 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.119 3.412 4.660 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.287 1.990 5.258 1.00 0.00 H new ATOM 646 N SER A 46 -14.530 3.434 1.888 1.00 0.00 N ATOM 647 CA SER A 46 -15.529 4.369 1.457 1.00 0.00 C ATOM 648 C SER A 46 -15.112 4.802 0.060 1.00 0.00 C ATOM 649 O SER A 46 -14.178 5.580 -0.040 1.00 0.00 O ATOM 650 CB SER A 46 -15.508 5.472 2.502 1.00 0.00 C ATOM 651 OG SER A 46 -15.780 4.961 3.795 1.00 0.00 O ATOM 0 H SER A 46 -13.753 3.874 2.381 1.00 0.00 H new ATOM 0 HA SER A 46 -16.551 3.997 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.533 5.960 2.499 1.00 0.00 H new ATOM 0 HB3 SER A 46 -16.246 6.232 2.246 1.00 0.00 H new ATOM 0 HG SER A 46 -15.758 5.692 4.447 1.00 0.00 H new ATOM 657 N LYS A 47 -15.713 4.287 -1.018 1.00 0.00 N ATOM 658 CA LYS A 47 -15.139 4.388 -2.370 1.00 0.00 C ATOM 659 C LYS A 47 -14.614 5.764 -2.833 1.00 0.00 C ATOM 660 O LYS A 47 -13.581 5.785 -3.495 1.00 0.00 O ATOM 661 CB LYS A 47 -16.047 3.710 -3.416 1.00 0.00 C ATOM 662 CG LYS A 47 -15.480 2.329 -3.804 1.00 0.00 C ATOM 663 CD LYS A 47 -16.384 1.594 -4.804 1.00 0.00 C ATOM 664 CE LYS A 47 -15.674 0.408 -5.474 1.00 0.00 C ATOM 665 NZ LYS A 47 -15.355 -0.714 -4.564 1.00 0.00 N ATOM 0 H LYS A 47 -16.604 3.792 -0.982 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.207 3.829 -2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.054 3.597 -3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.126 4.340 -4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.487 2.454 -4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.362 1.721 -2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.275 1.236 -4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -16.718 2.294 -5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.303 0.035 -6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.749 0.765 -5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.848 -1.454 -5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.756 -0.371 -3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.236 -1.107 -4.175 1.00 0.00 H new ATOM 679 N ARG A 48 -15.228 6.910 -2.496 1.00 0.00 N ATOM 680 CA ARG A 48 -14.576 8.210 -2.764 1.00 0.00 C ATOM 681 C ARG A 48 -13.325 8.370 -1.909 1.00 0.00 C ATOM 682 O ARG A 48 -12.294 8.735 -2.464 1.00 0.00 O ATOM 683 CB ARG A 48 -15.539 9.401 -2.639 1.00 0.00 C ATOM 684 CG ARG A 48 -14.895 10.811 -2.640 1.00 0.00 C ATOM 685 CD ARG A 48 -13.825 11.214 -3.681 1.00 0.00 C ATOM 686 NE ARG A 48 -14.128 10.800 -5.061 1.00 0.00 N ATOM 687 CZ ARG A 48 -13.221 10.742 -6.051 1.00 0.00 C ATOM 688 NH1 ARG A 48 -11.969 11.158 -5.896 1.00 0.00 N ATOM 689 NH2 ARG A 48 -13.580 10.242 -7.229 1.00 0.00 N ATOM 0 H ARG A 48 -16.144 6.969 -2.052 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.263 8.209 -3.808 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.253 9.351 -3.461 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -16.107 9.286 -1.716 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.709 11.530 -2.729 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.449 10.955 -1.656 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.704 12.297 -3.658 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.869 10.781 -3.387 1.00 0.00 H new ATOM 0 HE ARG A 48 -15.090 10.540 -5.280 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -11.665 11.539 -5.000 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.311 11.097 -6.673 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -14.533 9.909 -7.372 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.902 10.192 -7.990 1.00 0.00 H new ATOM 703 N GLN A 49 -13.382 8.085 -0.603 1.00 0.00 N ATOM 704 CA GLN A 49 -12.203 8.170 0.241 1.00 0.00 C ATOM 705 C GLN A 49 -11.137 7.285 -0.343 1.00 0.00 C ATOM 706 O GLN A 49 -10.045 7.760 -0.564 1.00 0.00 O ATOM 707 CB GLN A 49 -12.489 7.705 1.679 1.00 0.00 C ATOM 708 CG GLN A 49 -11.434 8.212 2.675 1.00 0.00 C ATOM 709 CD GLN A 49 -11.234 9.724 2.631 1.00 0.00 C ATOM 710 OE1 GLN A 49 -12.175 10.482 2.826 1.00 0.00 O ATOM 711 NE2 GLN A 49 -10.031 10.196 2.338 1.00 0.00 N ATOM 0 H GLN A 49 -14.231 7.796 -0.117 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.886 9.212 0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.474 8.059 1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.519 6.616 1.707 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.728 7.921 3.683 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.483 7.721 2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.256 9.553 2.178 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.880 11.203 2.273 1.00 0.00 H new ATOM 720 N ALA A 50 -11.483 6.033 -0.628 1.00 0.00 N ATOM 721 CA ALA A 50 -10.603 5.042 -1.204 1.00 0.00 C ATOM 722 C ALA A 50 -9.890 5.594 -2.438 1.00 0.00 C ATOM 723 O ALA A 50 -8.659 5.596 -2.502 1.00 0.00 O ATOM 724 CB ALA A 50 -11.428 3.808 -1.566 1.00 0.00 C ATOM 0 H ALA A 50 -12.422 5.675 -0.454 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.836 4.773 -0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.777 3.050 -2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.898 3.408 -0.668 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.198 4.084 -2.287 1.00 0.00 H new ATOM 730 N ARG A 51 -10.673 6.089 -3.406 1.00 0.00 N ATOM 731 CA ARG A 51 -10.133 6.686 -4.615 1.00 0.00 C ATOM 732 C ARG A 51 -9.121 7.752 -4.283 1.00 0.00 C ATOM 733 O ARG A 51 -8.043 7.718 -4.854 1.00 0.00 O ATOM 734 CB ARG A 51 -11.225 7.244 -5.540 1.00 0.00 C ATOM 735 CG ARG A 51 -11.668 6.206 -6.577 1.00 0.00 C ATOM 736 CD ARG A 51 -12.659 6.838 -7.555 1.00 0.00 C ATOM 737 NE ARG A 51 -12.890 5.975 -8.724 1.00 0.00 N ATOM 738 CZ ARG A 51 -12.724 6.297 -10.015 1.00 0.00 C ATOM 739 NH1 ARG A 51 -12.257 7.484 -10.396 1.00 0.00 N ATOM 740 NH2 ARG A 51 -13.038 5.434 -10.967 1.00 0.00 N ATOM 0 H ARG A 51 -11.692 6.083 -3.365 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.634 5.886 -5.162 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.084 7.554 -4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.852 8.133 -6.050 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.801 5.827 -7.118 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.130 5.354 -6.078 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.605 7.024 -7.046 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.279 7.805 -7.885 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.212 5.027 -8.531 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.012 8.184 -9.696 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.144 7.693 -11.388 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.409 4.516 -10.721 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.909 5.686 -11.947 1.00 0.00 H new ATOM 754 N GLU A 52 -9.430 8.675 -3.383 1.00 0.00 N ATOM 755 CA GLU A 52 -8.515 9.786 -3.153 1.00 0.00 C ATOM 756 C GLU A 52 -7.370 9.406 -2.234 1.00 0.00 C ATOM 757 O GLU A 52 -6.274 9.944 -2.354 1.00 0.00 O ATOM 758 CB GLU A 52 -9.266 11.027 -2.674 1.00 0.00 C ATOM 759 CG GLU A 52 -8.648 12.306 -3.279 1.00 0.00 C ATOM 760 CD GLU A 52 -9.741 13.332 -3.618 1.00 0.00 C ATOM 761 OE1 GLU A 52 -10.748 12.928 -4.257 1.00 0.00 O ATOM 762 OE2 GLU A 52 -9.567 14.508 -3.241 1.00 0.00 O ATOM 0 H GLU A 52 -10.278 8.681 -2.816 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.057 10.038 -4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.316 10.955 -2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.233 11.081 -1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.940 12.742 -2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.088 12.054 -4.179 1.00 0.00 H new ATOM 769 N ASP A 53 -7.574 8.409 -1.388 1.00 0.00 N ATOM 770 CA ASP A 53 -6.585 7.750 -0.585 1.00 0.00 C ATOM 771 C ASP A 53 -5.617 6.977 -1.450 1.00 0.00 C ATOM 772 O ASP A 53 -4.537 6.657 -0.963 1.00 0.00 O ATOM 773 CB ASP A 53 -7.292 6.817 0.384 1.00 0.00 C ATOM 774 CG ASP A 53 -7.746 7.505 1.670 1.00 0.00 C ATOM 775 OD1 ASP A 53 -7.626 8.743 1.832 1.00 0.00 O ATOM 776 OD2 ASP A 53 -8.196 6.772 2.567 1.00 0.00 O ATOM 0 H ASP A 53 -8.505 8.020 -1.242 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.011 8.494 -0.033 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.160 6.381 -0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.623 5.995 0.638 1.00 0.00 H new ATOM 781 N ILE A 54 -5.982 6.728 -2.709 1.00 0.00 N ATOM 782 CA ILE A 54 -5.144 6.176 -3.742 1.00 0.00 C ATOM 783 C ILE A 54 -4.743 7.141 -4.840 1.00 0.00 C ATOM 784 O ILE A 54 -3.813 6.822 -5.561 1.00 0.00 O ATOM 785 CB ILE A 54 -5.758 4.860 -4.250 1.00 0.00 C ATOM 786 CG1 ILE A 54 -5.060 3.779 -3.417 1.00 0.00 C ATOM 787 CG2 ILE A 54 -5.650 4.596 -5.767 1.00 0.00 C ATOM 788 CD1 ILE A 54 -5.868 2.514 -3.405 1.00 0.00 C ATOM 0 H ILE A 54 -6.927 6.922 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.178 5.954 -3.287 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.840 4.884 -4.122 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.070 3.580 -3.827 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.917 4.135 -2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.117 3.640 -6.004 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.156 5.393 -6.312 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.600 4.568 -6.058 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.355 1.760 -2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.849 2.713 -2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.988 2.149 -4.425 1.00 0.00 H new ATOM 800 N GLN A 55 -5.392 8.285 -5.009 1.00 0.00 N ATOM 801 CA GLN A 55 -4.945 9.330 -5.906 1.00 0.00 C ATOM 802 C GLN A 55 -4.055 10.336 -5.203 1.00 0.00 C ATOM 803 O GLN A 55 -3.493 11.203 -5.883 1.00 0.00 O ATOM 804 CB GLN A 55 -6.156 10.000 -6.539 1.00 0.00 C ATOM 805 CG GLN A 55 -6.730 9.038 -7.576 1.00 0.00 C ATOM 806 CD GLN A 55 -7.944 9.626 -8.288 1.00 0.00 C ATOM 807 OE1 GLN A 55 -9.088 9.468 -7.860 1.00 0.00 O ATOM 808 NE2 GLN A 55 -7.727 10.339 -9.381 1.00 0.00 N ATOM 0 H GLN A 55 -6.256 8.512 -4.517 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.337 8.881 -6.691 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.903 10.235 -5.781 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.870 10.942 -7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.962 8.795 -8.310 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.012 8.105 -7.088 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.776 10.464 -9.728 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.511 10.764 -9.877 1.00 0.00 H new ATOM 817 N ASN A 56 -3.928 10.253 -3.877 1.00 0.00 N ATOM 818 CA ASN A 56 -3.011 11.100 -3.153 1.00 0.00 C ATOM 819 C ASN A 56 -1.636 10.487 -3.153 1.00 0.00 C ATOM 820 O ASN A 56 -1.460 9.335 -2.778 1.00 0.00 O ATOM 821 CB ASN A 56 -3.404 11.312 -1.677 1.00 0.00 C ATOM 822 CG ASN A 56 -4.183 12.590 -1.439 1.00 0.00 C ATOM 823 OD1 ASN A 56 -3.606 13.605 -1.052 1.00 0.00 O ATOM 824 ND2 ASN A 56 -5.483 12.569 -1.635 1.00 0.00 N ATOM 0 H ASN A 56 -4.454 9.603 -3.293 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.037 12.062 -3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.001 10.464 -1.342 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.501 11.327 -1.067 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.038 13.408 -1.466 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.937 11.714 -1.956 1.00 0.00 H new ATOM 831 N GLY A 57 -0.630 11.315 -3.377 1.00 0.00 N ATOM 832 CA GLY A 57 0.761 10.968 -3.182 1.00 0.00 C ATOM 833 C GLY A 57 1.147 10.684 -1.724 1.00 0.00 C ATOM 834 O GLY A 57 2.339 10.599 -1.440 1.00 0.00 O ATOM 0 H GLY A 57 -0.765 12.270 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.991 10.089 -3.783 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.382 11.782 -3.557 1.00 0.00 H new ATOM 838 N ALA A 58 0.185 10.572 -0.800 1.00 0.00 N ATOM 839 CA ALA A 58 0.392 10.138 0.575 1.00 0.00 C ATOM 840 C ALA A 58 0.453 8.612 0.702 1.00 0.00 C ATOM 841 O ALA A 58 0.787 8.135 1.779 1.00 0.00 O ATOM 842 CB ALA A 58 -0.735 10.677 1.466 1.00 0.00 C ATOM 0 H ALA A 58 -0.791 10.790 -1.003 1.00 0.00 H new ATOM 0 HA ALA A 58 1.354 10.536 0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.575 10.349 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.739 11.766 1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.693 10.299 1.110 1.00 0.00 H new ATOM 848 N ILE A 59 0.122 7.846 -0.339 1.00 0.00 N ATOM 849 CA ILE A 59 0.164 6.382 -0.357 1.00 0.00 C ATOM 850 C ILE A 59 1.450 5.979 -1.095 1.00 0.00 C ATOM 851 O ILE A 59 1.566 5.825 -2.322 1.00 0.00 O ATOM 852 CB ILE A 59 -1.241 5.871 -0.686 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.499 4.380 -0.529 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.745 6.389 -2.041 1.00 0.00 C ATOM 855 CD1 ILE A 59 -0.680 3.556 -1.496 1.00 0.00 C ATOM 0 H ILE A 59 -0.194 8.242 -1.224 1.00 0.00 H new ATOM 0 HA ILE A 59 0.313 5.833 0.573 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.837 6.309 0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.266 4.078 0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.558 4.177 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.745 6.000 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.777 7.478 -2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.071 6.057 -2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.897 2.498 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.932 3.838 -2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.380 3.737 -1.321 1.00 0.00 H new ATOM 867 N TYR A 60 2.480 5.926 -0.251 1.00 0.00 N ATOM 868 CA TYR A 60 3.815 5.489 -0.546 1.00 0.00 C ATOM 869 C TYR A 60 3.788 3.967 -0.542 1.00 0.00 C ATOM 870 O TYR A 60 3.836 3.325 0.509 1.00 0.00 O ATOM 871 CB TYR A 60 4.823 6.100 0.444 1.00 0.00 C ATOM 872 CG TYR A 60 4.517 7.504 0.934 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.812 8.617 0.127 1.00 0.00 C ATOM 874 CD2 TYR A 60 3.944 7.704 2.204 1.00 0.00 C ATOM 875 CE1 TYR A 60 4.549 9.917 0.590 1.00 0.00 C ATOM 876 CE2 TYR A 60 3.681 8.998 2.675 1.00 0.00 C ATOM 877 CZ TYR A 60 3.980 10.112 1.866 1.00 0.00 C ATOM 878 OH TYR A 60 3.735 11.367 2.320 1.00 0.00 O ATOM 0 H TYR A 60 2.380 6.211 0.723 1.00 0.00 H new ATOM 0 HA TYR A 60 4.152 5.832 -1.524 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.893 5.443 1.311 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.805 6.109 -0.029 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.243 8.472 -0.853 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.704 6.851 2.822 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.783 10.768 -0.032 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.250 9.140 3.655 1.00 0.00 H new ATOM 0 HH TYR A 60 3.341 11.320 3.216 1.00 0.00 H new ATOM 888 N VAL A 61 3.628 3.378 -1.717 1.00 0.00 N ATOM 889 CA VAL A 61 3.642 1.942 -1.882 1.00 0.00 C ATOM 890 C VAL A 61 5.105 1.545 -1.870 1.00 0.00 C ATOM 891 O VAL A 61 5.916 2.259 -2.436 1.00 0.00 O ATOM 892 CB VAL A 61 2.969 1.527 -3.202 1.00 0.00 C ATOM 893 CG1 VAL A 61 2.796 0.004 -3.338 1.00 0.00 C ATOM 894 CG2 VAL A 61 1.578 2.147 -3.260 1.00 0.00 C ATOM 0 H VAL A 61 3.484 3.892 -2.586 1.00 0.00 H new ATOM 0 HA VAL A 61 3.084 1.444 -1.089 1.00 0.00 H new ATOM 0 HB VAL A 61 3.617 1.872 -4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.316 -0.224 -4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.773 -0.478 -3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.177 -0.366 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.090 1.860 -4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.986 1.792 -2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.661 3.233 -3.214 1.00 0.00 H new ATOM 904 N ASN A 62 5.492 0.412 -1.281 1.00 0.00 N ATOM 905 CA ASN A 62 6.886 -0.070 -1.292 1.00 0.00 C ATOM 906 C ASN A 62 7.932 0.926 -0.761 1.00 0.00 C ATOM 907 O ASN A 62 9.138 0.739 -0.914 1.00 0.00 O ATOM 908 CB ASN A 62 7.249 -0.676 -2.644 1.00 0.00 C ATOM 909 CG ASN A 62 7.091 0.175 -3.894 1.00 0.00 C ATOM 910 OD1 ASN A 62 5.901 0.126 -4.484 1.00 0.00 O flip ATOM 911 ND2 ASN A 62 8.051 0.696 -4.442 1.00 0.00 N flip ATOM 0 H ASN A 62 4.851 -0.203 -0.780 1.00 0.00 H new ATOM 0 HA ASN A 62 6.924 -0.869 -0.552 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.289 -0.998 -2.593 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.644 -1.573 -2.777 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.955 0.722 -3.970 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.948 1.105 -5.371 1.00 0.00 H new ATOM 918 N GLY A 63 7.428 1.943 -0.080 1.00 0.00 N ATOM 919 CA GLY A 63 8.127 3.061 0.538 1.00 0.00 C ATOM 920 C GLY A 63 8.097 4.336 -0.311 1.00 0.00 C ATOM 921 O GLY A 63 8.827 5.280 0.000 1.00 0.00 O ATOM 0 H GLY A 63 6.421 2.014 0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.679 3.269 1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.164 2.777 0.719 1.00 0.00 H new ATOM 925 N GLU A 64 7.291 4.398 -1.377 1.00 0.00 N ATOM 926 CA GLU A 64 7.414 5.389 -2.432 1.00 0.00 C ATOM 927 C GLU A 64 6.049 5.692 -3.081 1.00 0.00 C ATOM 928 O GLU A 64 5.262 4.800 -3.374 1.00 0.00 O ATOM 929 CB GLU A 64 8.437 4.820 -3.412 1.00 0.00 C ATOM 930 CG GLU A 64 8.751 5.747 -4.572 1.00 0.00 C ATOM 931 CD GLU A 64 9.224 7.130 -4.098 1.00 0.00 C ATOM 932 OE1 GLU A 64 8.394 8.035 -3.839 1.00 0.00 O ATOM 933 OE2 GLU A 64 10.445 7.345 -3.913 1.00 0.00 O ATOM 0 H GLU A 64 6.522 3.744 -1.526 1.00 0.00 H new ATOM 0 HA GLU A 64 7.751 6.354 -2.054 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.359 4.600 -2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.064 3.874 -3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.522 5.296 -5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.863 5.862 -5.194 1.00 0.00 H new ATOM 940 N ARG A 65 5.714 6.972 -3.230 1.00 0.00 N ATOM 941 CA ARG A 65 4.437 7.534 -3.667 1.00 0.00 C ATOM 942 C ARG A 65 4.025 6.909 -4.989 1.00 0.00 C ATOM 943 O ARG A 65 4.664 7.208 -5.995 1.00 0.00 O ATOM 944 CB ARG A 65 4.661 9.051 -3.777 1.00 0.00 C ATOM 945 CG ARG A 65 3.601 9.860 -4.530 1.00 0.00 C ATOM 946 CD ARG A 65 4.117 10.326 -5.897 1.00 0.00 C ATOM 947 NE ARG A 65 3.261 11.353 -6.494 1.00 0.00 N ATOM 948 CZ ARG A 65 3.144 11.566 -7.807 1.00 0.00 C ATOM 949 NH1 ARG A 65 3.940 10.978 -8.693 1.00 0.00 N ATOM 950 NH2 ARG A 65 2.211 12.398 -8.241 1.00 0.00 N ATOM 0 H ARG A 65 6.390 7.709 -3.030 1.00 0.00 H new ATOM 0 HA ARG A 65 3.625 7.327 -2.969 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.741 9.455 -2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.622 9.217 -4.264 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.706 9.253 -4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.311 10.726 -3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.128 10.718 -5.787 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.178 9.471 -6.570 1.00 0.00 H new ATOM 0 HE ARG A 65 2.718 11.945 -5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.670 10.340 -8.378 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.821 11.165 -9.689 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.595 12.865 -7.576 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.108 12.572 -9.241 1.00 0.00 H new ATOM 964 N LEU A 66 2.995 6.057 -5.018 1.00 0.00 N ATOM 965 CA LEU A 66 2.543 5.468 -6.272 1.00 0.00 C ATOM 966 C LEU A 66 1.011 5.442 -6.289 1.00 0.00 C ATOM 967 O LEU A 66 0.376 4.400 -6.160 1.00 0.00 O ATOM 968 CB LEU A 66 3.196 4.108 -6.458 1.00 0.00 C ATOM 969 CG LEU A 66 4.694 4.137 -6.810 1.00 0.00 C ATOM 970 CD1 LEU A 66 5.193 2.706 -6.707 1.00 0.00 C ATOM 971 CD2 LEU A 66 4.976 4.676 -8.218 1.00 0.00 C ATOM 0 H LEU A 66 2.467 5.766 -4.195 1.00 0.00 H new ATOM 0 HA LEU A 66 2.850 6.067 -7.130 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.067 3.533 -5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.665 3.574 -7.246 1.00 0.00 H new ATOM 0 HG LEU A 66 5.204 4.811 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.255 2.673 -6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.040 2.339 -5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.642 2.077 -7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.050 4.669 -8.402 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.478 4.046 -8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.600 5.696 -8.299 1.00 0.00 H new ATOM 983 N GLN A 67 0.418 6.625 -6.420 1.00 0.00 N ATOM 984 CA GLN A 67 -1.013 6.919 -6.372 1.00 0.00 C ATOM 985 C GLN A 67 -1.717 6.633 -7.711 1.00 0.00 C ATOM 986 O GLN A 67 -2.371 7.528 -8.259 1.00 0.00 O ATOM 987 CB GLN A 67 -1.227 8.372 -5.853 1.00 0.00 C ATOM 988 CG GLN A 67 -0.832 9.567 -6.725 1.00 0.00 C ATOM 989 CD GLN A 67 0.345 9.263 -7.639 1.00 0.00 C ATOM 990 OE1 GLN A 67 1.475 9.160 -7.188 1.00 0.00 O ATOM 991 NE2 GLN A 67 0.103 8.984 -8.908 1.00 0.00 N ATOM 0 H GLN A 67 0.968 7.470 -6.575 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.490 6.241 -5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.286 8.479 -5.619 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.682 8.463 -4.913 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.687 9.869 -7.329 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.580 10.412 -6.084 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.843 9.072 -9.278 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.863 8.680 -9.517 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.544 5.451 -8.316 1.00 0.00 N ATOM 1001 CA ASP A 68 -2.182 5.141 -9.600 1.00 0.00 C ATOM 1002 C ASP A 68 -2.460 3.646 -9.840 1.00 0.00 C ATOM 1003 O ASP A 68 -1.675 2.782 -9.458 1.00 0.00 O ATOM 1004 CB ASP A 68 -1.293 5.704 -10.710 1.00 0.00 C ATOM 1005 CG ASP A 68 -2.114 6.112 -11.933 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -2.820 5.256 -12.511 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -2.102 7.309 -12.292 1.00 0.00 O ATOM 0 H ASP A 68 -0.970 4.697 -7.938 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.169 5.604 -9.593 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.744 6.567 -10.335 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.554 4.957 -10.999 1.00 0.00 H new ATOM 1012 N VAL A 69 -3.549 3.338 -10.547 1.00 0.00 N ATOM 1013 CA VAL A 69 -3.917 2.024 -11.097 1.00 0.00 C ATOM 1014 C VAL A 69 -2.939 1.584 -12.195 1.00 0.00 C ATOM 1015 O VAL A 69 -2.659 0.394 -12.354 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.364 2.082 -11.585 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -5.939 0.706 -11.920 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -6.338 2.771 -10.611 1.00 0.00 C ATOM 0 H VAL A 69 -4.248 4.047 -10.768 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.847 1.265 -10.318 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.288 2.687 -12.488 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.969 0.815 -12.260 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.343 0.245 -12.708 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.916 0.076 -11.031 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.341 2.768 -11.037 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.344 2.234 -9.662 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.018 3.800 -10.444 1.00 0.00 H new ATOM 1028 N GLY A 70 -2.366 2.544 -12.919 1.00 0.00 N ATOM 1029 CA GLY A 70 -1.284 2.330 -13.858 1.00 0.00 C ATOM 1030 C GLY A 70 0.078 2.279 -13.175 1.00 0.00 C ATOM 1031 O GLY A 70 1.093 2.123 -13.851 1.00 0.00 O ATOM 0 H GLY A 70 -2.656 3.520 -12.861 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.453 1.397 -14.396 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.286 3.130 -14.599 1.00 0.00 H new ATOM 1035 N ALA A 71 0.123 2.478 -11.857 1.00 0.00 N ATOM 1036 CA ALA A 71 1.267 2.143 -11.034 1.00 0.00 C ATOM 1037 C ALA A 71 1.107 0.720 -10.501 1.00 0.00 C ATOM 1038 O ALA A 71 1.979 -0.098 -10.798 1.00 0.00 O ATOM 1039 CB ALA A 71 1.534 3.189 -9.950 1.00 0.00 C ATOM 0 H ALA A 71 -0.651 2.883 -11.331 1.00 0.00 H new ATOM 0 HA ALA A 71 2.168 2.163 -11.647 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.401 2.890 -9.362 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.727 4.155 -10.416 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.664 3.268 -9.299 1.00 0.00 H new ATOM 1045 N ILE A 72 0.058 0.394 -9.721 1.00 0.00 N ATOM 1046 CA ILE A 72 -0.063 -0.902 -9.047 1.00 0.00 C ATOM 1047 C ILE A 72 -1.461 -1.515 -9.169 1.00 0.00 C ATOM 1048 O ILE A 72 -2.467 -0.836 -8.962 1.00 0.00 O ATOM 1049 CB ILE A 72 0.328 -0.794 -7.565 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.596 0.061 -7.367 1.00 0.00 C ATOM 1051 CG2 ILE A 72 0.602 -2.185 -6.961 1.00 0.00 C ATOM 1052 CD1 ILE A 72 1.313 1.394 -6.672 1.00 0.00 C ATOM 0 H ILE A 72 -0.725 1.024 -9.544 1.00 0.00 H new ATOM 0 HA ILE A 72 0.630 -1.569 -9.559 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.515 -0.321 -7.063 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.320 -0.503 -6.779 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.054 0.253 -8.337 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.876 -2.078 -5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.295 -2.799 -7.041 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.418 -2.663 -7.503 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.243 1.951 -6.561 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.612 1.975 -7.271 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.882 1.207 -5.688 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.509 -2.828 -9.413 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.661 -3.671 -9.241 1.00 0.00 C ATOM 1066 C LEU A 73 -2.289 -4.549 -8.043 1.00 0.00 C ATOM 1067 O LEU A 73 -2.379 -4.079 -6.911 1.00 0.00 O ATOM 1068 CB LEU A 73 -3.060 -4.362 -10.550 1.00 0.00 C ATOM 1069 CG LEU A 73 -3.453 -3.357 -11.658 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.825 -4.135 -12.911 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.651 -2.471 -11.360 1.00 0.00 C ATOM 0 H LEU A 73 -0.696 -3.343 -9.752 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.592 -3.151 -9.014 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.230 -4.976 -10.900 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.897 -5.034 -10.361 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.581 -2.710 -11.757 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.105 -3.439 -13.702 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.972 -4.730 -13.236 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.665 -4.794 -12.694 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.833 -1.808 -12.206 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.530 -3.093 -11.190 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.451 -1.875 -10.469 1.00 0.00 H new ATOM 1083 N THR A 74 -1.786 -5.763 -8.252 1.00 0.00 N ATOM 1084 CA THR A 74 -1.468 -6.709 -7.189 1.00 0.00 C ATOM 1085 C THR A 74 -0.006 -6.664 -6.746 1.00 0.00 C ATOM 1086 O THR A 74 0.764 -5.762 -7.079 1.00 0.00 O ATOM 1087 CB THR A 74 -1.885 -8.111 -7.664 1.00 0.00 C ATOM 1088 OG1 THR A 74 -1.610 -8.279 -9.041 1.00 0.00 O ATOM 1089 CG2 THR A 74 -3.358 -8.288 -7.317 1.00 0.00 C ATOM 0 H THR A 74 -1.584 -6.123 -9.185 1.00 0.00 H new ATOM 0 HA THR A 74 -2.026 -6.430 -6.295 1.00 0.00 H new ATOM 0 HB THR A 74 -1.309 -8.888 -7.162 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.730 -9.220 -9.286 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.692 -9.274 -7.640 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.492 -8.194 -6.239 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.946 -7.522 -7.824 1.00 0.00 H new ATOM 1097 N ALA A 75 0.375 -7.656 -5.943 1.00 0.00 N ATOM 1098 CA ALA A 75 1.722 -7.871 -5.479 1.00 0.00 C ATOM 1099 C ALA A 75 2.720 -8.074 -6.599 1.00 0.00 C ATOM 1100 O ALA A 75 3.751 -7.414 -6.588 1.00 0.00 O ATOM 1101 CB ALA A 75 1.723 -9.068 -4.538 1.00 0.00 C ATOM 0 H ALA A 75 -0.281 -8.353 -5.591 1.00 0.00 H new ATOM 0 HA ALA A 75 2.044 -6.968 -4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.736 -9.246 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.066 -8.866 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.368 -9.950 -5.071 1.00 0.00 H new ATOM 1107 N GLU A 76 2.442 -8.951 -7.560 1.00 0.00 N ATOM 1108 CA GLU A 76 3.333 -9.128 -8.709 1.00 0.00 C ATOM 1109 C GLU A 76 3.296 -7.930 -9.653 1.00 0.00 C ATOM 1110 O GLU A 76 4.195 -7.759 -10.471 1.00 0.00 O ATOM 1111 CB GLU A 76 3.022 -10.435 -9.449 1.00 0.00 C ATOM 1112 CG GLU A 76 1.553 -10.606 -9.854 1.00 0.00 C ATOM 1113 CD GLU A 76 1.263 -11.947 -10.536 1.00 0.00 C ATOM 1114 OE1 GLU A 76 2.089 -12.892 -10.470 1.00 0.00 O ATOM 1115 OE2 GLU A 76 0.182 -12.039 -11.166 1.00 0.00 O ATOM 0 H GLU A 76 1.614 -9.547 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 76 4.350 -9.194 -8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.640 -10.486 -10.345 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.310 -11.273 -8.815 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.926 -10.515 -8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.273 -9.796 -10.527 1.00 0.00 H new ATOM 1122 N HIS A 77 2.294 -7.063 -9.501 1.00 0.00 N ATOM 1123 CA HIS A 77 2.249 -5.792 -10.202 1.00 0.00 C ATOM 1124 C HIS A 77 3.070 -4.737 -9.433 1.00 0.00 C ATOM 1125 O HIS A 77 3.177 -3.586 -9.860 1.00 0.00 O ATOM 1126 CB HIS A 77 0.789 -5.401 -10.379 1.00 0.00 C ATOM 1127 CG HIS A 77 0.577 -4.321 -11.404 1.00 0.00 C ATOM 1128 ND1 HIS A 77 0.997 -3.028 -11.275 1.00 0.00 N ATOM 1129 CD2 HIS A 77 -0.254 -4.362 -12.482 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.335 -2.271 -12.147 1.00 0.00 C ATOM 1131 NE2 HIS A 77 -0.383 -3.052 -12.968 1.00 0.00 N ATOM 0 H HIS A 77 1.495 -7.227 -8.888 1.00 0.00 H new ATOM 0 HA HIS A 77 2.702 -5.867 -11.191 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.218 -6.283 -10.669 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.393 -5.065 -9.421 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.703 -2.696 -10.618 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.728 -5.243 -12.889 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.371 -1.192 -12.187 1.00 0.00 H new ATOM 1139 N ARG A 78 3.644 -5.081 -8.276 1.00 0.00 N ATOM 1140 CA ARG A 78 4.651 -4.256 -7.644 1.00 0.00 C ATOM 1141 C ARG A 78 5.939 -5.066 -7.635 1.00 0.00 C ATOM 1142 O ARG A 78 6.828 -4.802 -8.435 1.00 0.00 O ATOM 1143 CB ARG A 78 4.176 -3.779 -6.258 1.00 0.00 C ATOM 1144 CG ARG A 78 4.924 -2.578 -5.652 1.00 0.00 C ATOM 1145 CD ARG A 78 6.472 -2.611 -5.817 1.00 0.00 C ATOM 1146 NE ARG A 78 6.943 -2.296 -7.183 1.00 0.00 N ATOM 1147 CZ ARG A 78 8.019 -1.612 -7.589 1.00 0.00 C ATOM 1148 NH1 ARG A 78 8.655 -0.737 -6.817 1.00 0.00 N ATOM 1149 NH2 ARG A 78 8.467 -1.842 -8.814 1.00 0.00 N ATOM 0 H ARG A 78 3.419 -5.934 -7.763 1.00 0.00 H new ATOM 0 HA ARG A 78 4.835 -3.331 -8.191 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.119 -3.522 -6.329 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.255 -4.616 -5.564 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.545 -1.665 -6.111 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.689 -2.522 -4.589 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.916 -1.901 -5.119 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.835 -3.601 -5.539 1.00 0.00 H new ATOM 0 HE ARG A 78 6.355 -2.657 -7.934 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.327 -0.562 -5.867 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.471 -0.241 -7.174 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.994 -2.521 -9.411 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.285 -1.341 -9.160 1.00 0.00 H new ATOM 1163 N LEU A 79 6.112 -5.882 -6.607 1.00 0.00 N ATOM 1164 CA LEU A 79 7.300 -6.593 -6.277 1.00 0.00 C ATOM 1165 C LEU A 79 7.290 -7.967 -6.928 1.00 0.00 C ATOM 1166 O LEU A 79 6.466 -8.241 -7.790 1.00 0.00 O ATOM 1167 CB LEU A 79 7.424 -6.546 -4.752 1.00 0.00 C ATOM 1168 CG LEU A 79 6.267 -6.801 -3.773 1.00 0.00 C ATOM 1169 CD1 LEU A 79 6.585 -8.036 -2.908 1.00 0.00 C ATOM 1170 CD2 LEU A 79 6.166 -5.628 -2.772 1.00 0.00 C ATOM 0 H LEU A 79 5.360 -6.066 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 79 8.209 -6.146 -6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.203 -7.263 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.809 -5.555 -4.512 1.00 0.00 H new ATOM 0 HG LEU A 79 5.355 -6.927 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.764 -8.216 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.714 -8.907 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.502 -7.860 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.345 -5.811 -2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.099 -5.544 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.983 -4.701 -3.315 1.00 0.00 H new ATOM 1182 N GLU A 80 8.199 -8.830 -6.481 1.00 0.00 N ATOM 1183 CA GLU A 80 8.470 -10.210 -6.892 1.00 0.00 C ATOM 1184 C GLU A 80 7.257 -11.162 -6.921 1.00 0.00 C ATOM 1185 O GLU A 80 7.407 -12.354 -7.194 1.00 0.00 O ATOM 1186 CB GLU A 80 9.550 -10.730 -5.934 1.00 0.00 C ATOM 1187 CG GLU A 80 8.983 -10.970 -4.516 1.00 0.00 C ATOM 1188 CD GLU A 80 10.056 -11.129 -3.432 1.00 0.00 C ATOM 1189 OE1 GLU A 80 11.115 -10.475 -3.508 1.00 0.00 O ATOM 1190 OE2 GLU A 80 9.826 -11.871 -2.450 1.00 0.00 O ATOM 0 H GLU A 80 8.837 -8.549 -5.737 1.00 0.00 H new ATOM 0 HA GLU A 80 8.785 -10.193 -7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.965 -11.660 -6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.368 -10.012 -5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.334 -10.136 -4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.362 -11.865 -4.531 1.00 0.00 H new ATOM 1197 N GLY A 81 6.063 -10.668 -6.607 1.00 0.00 N ATOM 1198 CA GLY A 81 4.830 -11.414 -6.627 1.00 0.00 C ATOM 1199 C GLY A 81 4.619 -12.117 -5.319 1.00 0.00 C ATOM 1200 O GLY A 81 4.436 -13.334 -5.282 1.00 0.00 O ATOM 0 H GLY A 81 5.934 -9.697 -6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.995 -10.742 -6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.852 -12.142 -7.438 1.00 0.00 H new ATOM 1204 N ARG A 82 4.636 -11.325 -4.244 1.00 0.00 N ATOM 1205 CA ARG A 82 4.260 -11.828 -2.930 1.00 0.00 C ATOM 1206 C ARG A 82 3.348 -10.846 -2.230 1.00 0.00 C ATOM 1207 O ARG A 82 2.177 -11.157 -2.050 1.00 0.00 O ATOM 1208 CB ARG A 82 5.493 -12.261 -2.114 1.00 0.00 C ATOM 1209 CG ARG A 82 6.027 -13.604 -2.652 1.00 0.00 C ATOM 1210 CD ARG A 82 6.842 -14.385 -1.627 1.00 0.00 C ATOM 1211 NE ARG A 82 8.189 -13.848 -1.421 1.00 0.00 N ATOM 1212 CZ ARG A 82 9.098 -14.386 -0.610 1.00 0.00 C ATOM 1213 NH1 ARG A 82 8.800 -15.397 0.194 1.00 0.00 N ATOM 1214 NH2 ARG A 82 10.321 -13.890 -0.592 1.00 0.00 N ATOM 0 H ARG A 82 4.905 -10.341 -4.261 1.00 0.00 H new ATOM 0 HA ARG A 82 3.677 -12.742 -3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.269 -11.498 -2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.228 -12.359 -1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.187 -14.216 -2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.645 -13.415 -3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.310 -14.386 -0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.919 -15.423 -1.950 1.00 0.00 H new ATOM 0 HE ARG A 82 8.448 -13.005 -1.933 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.855 -15.781 0.201 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.515 -15.790 0.805 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.561 -13.103 -1.195 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.026 -14.294 0.025 1.00 0.00 H new ATOM 1228 N PHE A 83 3.833 -9.654 -1.895 1.00 0.00 N ATOM 1229 CA PHE A 83 3.071 -8.680 -1.124 1.00 0.00 C ATOM 1230 C PHE A 83 2.966 -7.383 -1.910 1.00 0.00 C ATOM 1231 O PHE A 83 3.514 -7.278 -2.992 1.00 0.00 O ATOM 1232 CB PHE A 83 3.814 -8.400 0.188 1.00 0.00 C ATOM 1233 CG PHE A 83 3.931 -9.573 1.130 1.00 0.00 C ATOM 1234 CD1 PHE A 83 2.941 -9.765 2.108 1.00 0.00 C ATOM 1235 CD2 PHE A 83 5.055 -10.420 1.082 1.00 0.00 C ATOM 1236 CE1 PHE A 83 3.095 -10.771 3.071 1.00 0.00 C ATOM 1237 CE2 PHE A 83 5.206 -11.433 2.044 1.00 0.00 C ATOM 1238 CZ PHE A 83 4.235 -11.588 3.048 1.00 0.00 C ATOM 0 H PHE A 83 4.768 -9.337 -2.152 1.00 0.00 H new ATOM 0 HA PHE A 83 2.074 -9.070 -0.921 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.817 -8.046 -0.051 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.305 -7.588 0.708 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.062 -9.138 2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 83 5.798 -10.291 0.309 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.339 -10.917 3.828 1.00 0.00 H new ATOM 0 HE2 PHE A 83 6.063 -12.089 2.012 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.368 -12.343 3.809 1.00 0.00 H new ATOM 1248 N THR A 84 2.292 -6.384 -1.373 1.00 0.00 N ATOM 1249 CA THR A 84 2.385 -5.004 -1.805 1.00 0.00 C ATOM 1250 C THR A 84 2.261 -4.217 -0.501 1.00 0.00 C ATOM 1251 O THR A 84 1.499 -4.561 0.405 1.00 0.00 O ATOM 1252 CB THR A 84 1.430 -4.667 -2.963 1.00 0.00 C ATOM 1253 OG1 THR A 84 2.143 -4.741 -4.170 1.00 0.00 O ATOM 1254 CG2 THR A 84 0.898 -3.233 -2.943 1.00 0.00 C ATOM 0 H THR A 84 1.643 -6.516 -0.598 1.00 0.00 H new ATOM 0 HA THR A 84 3.322 -4.737 -2.293 1.00 0.00 H new ATOM 0 HB THR A 84 0.604 -5.371 -2.864 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.545 -4.530 -4.917 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.233 -3.080 -3.793 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.349 -3.061 -2.017 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.732 -2.534 -3.005 1.00 0.00 H new ATOM 1262 N VAL A 85 3.117 -3.217 -0.382 1.00 0.00 N ATOM 1263 CA VAL A 85 3.459 -2.527 0.845 1.00 0.00 C ATOM 1264 C VAL A 85 2.841 -1.147 0.763 1.00 0.00 C ATOM 1265 O VAL A 85 3.027 -0.532 -0.277 1.00 0.00 O ATOM 1266 CB VAL A 85 5.001 -2.484 0.817 1.00 0.00 C ATOM 1267 CG1 VAL A 85 5.757 -1.546 1.761 1.00 0.00 C ATOM 1268 CG2 VAL A 85 5.600 -3.902 0.855 1.00 0.00 C ATOM 0 H VAL A 85 3.620 -2.845 -1.188 1.00 0.00 H new ATOM 0 HA VAL A 85 3.103 -2.990 1.765 1.00 0.00 H new ATOM 0 HB VAL A 85 5.170 -1.995 -0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.829 -1.653 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.461 -0.516 1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.519 -1.800 2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.688 -3.838 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.284 -4.406 1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.253 -4.467 -0.010 1.00 0.00 H new ATOM 1278 N ILE A 86 2.129 -0.654 1.776 1.00 0.00 N ATOM 1279 CA ILE A 86 1.326 0.566 1.689 1.00 0.00 C ATOM 1280 C ILE A 86 1.576 1.463 2.884 1.00 0.00 C ATOM 1281 O ILE A 86 1.030 1.175 3.937 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.167 0.162 1.690 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -0.511 -0.787 0.512 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -1.116 1.370 1.640 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -0.272 -0.139 -0.866 1.00 0.00 C ATOM 0 H ILE A 86 2.093 -1.097 2.694 1.00 0.00 H new ATOM 0 HA ILE A 86 1.595 1.104 0.780 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.318 -0.358 2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.092 -1.692 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.555 -1.091 0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.149 1.022 1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.944 2.004 2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.929 1.942 0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.530 -0.849 -1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.894 0.751 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.777 0.141 -0.960 1.00 0.00 H new ATOM 1297 N ARG A 87 2.295 2.579 2.761 1.00 0.00 N ATOM 1298 CA ARG A 87 2.255 3.612 3.793 1.00 0.00 C ATOM 1299 C ARG A 87 1.260 4.658 3.318 1.00 0.00 C ATOM 1300 O ARG A 87 1.639 5.459 2.472 1.00 0.00 O ATOM 1301 CB ARG A 87 3.631 4.272 3.969 1.00 0.00 C ATOM 1302 CG ARG A 87 4.720 3.384 4.558 1.00 0.00 C ATOM 1303 CD ARG A 87 6.038 4.140 4.551 1.00 0.00 C ATOM 1304 NE ARG A 87 7.062 3.383 5.280 1.00 0.00 N ATOM 1305 CZ ARG A 87 7.966 3.876 6.131 1.00 0.00 C ATOM 1306 NH1 ARG A 87 8.122 5.190 6.265 1.00 0.00 N ATOM 1307 NH2 ARG A 87 8.690 3.042 6.863 1.00 0.00 N ATOM 0 H ARG A 87 2.903 2.788 1.969 1.00 0.00 H new ATOM 0 HA ARG A 87 1.971 3.177 4.751 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.968 4.632 2.997 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.515 5.146 4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.459 3.094 5.576 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.811 2.466 3.978 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.363 4.309 3.524 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.905 5.120 5.009 1.00 0.00 H new ATOM 0 HE ARG A 87 7.086 2.376 5.120 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.549 5.830 5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.815 5.557 6.917 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.554 2.035 6.773 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.383 3.407 7.516 1.00 0.00 H new ATOM 1321 N ARG A 88 0.008 4.670 3.781 1.00 0.00 N ATOM 1322 CA ARG A 88 -0.850 5.831 3.608 1.00 0.00 C ATOM 1323 C ARG A 88 -0.607 6.791 4.767 1.00 0.00 C ATOM 1324 O ARG A 88 -0.956 6.490 5.910 1.00 0.00 O ATOM 1325 CB ARG A 88 -2.324 5.429 3.496 1.00 0.00 C ATOM 1326 CG ARG A 88 -3.135 6.701 3.211 1.00 0.00 C ATOM 1327 CD ARG A 88 -4.525 6.398 2.669 1.00 0.00 C ATOM 1328 NE ARG A 88 -5.438 5.891 3.713 1.00 0.00 N ATOM 1329 CZ ARG A 88 -6.175 6.654 4.534 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -6.010 7.978 4.568 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -7.084 6.088 5.324 1.00 0.00 N ATOM 0 H ARG A 88 -0.427 3.891 4.275 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.603 6.332 2.672 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.462 4.701 2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.663 4.958 4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.225 7.283 4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.595 7.319 2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.946 7.303 2.230 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.448 5.662 1.869 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.514 4.879 3.818 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.317 8.421 3.965 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.577 8.547 5.197 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.219 5.077 5.304 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.646 6.665 5.950 1.00 0.00 H new ATOM 1345 N GLY A 89 -0.035 7.954 4.472 1.00 0.00 N ATOM 1346 CA GLY A 89 0.116 9.041 5.423 1.00 0.00 C ATOM 1347 C GLY A 89 -1.213 9.437 6.076 1.00 0.00 C ATOM 1348 O GLY A 89 -2.297 9.063 5.624 1.00 0.00 O ATOM 0 H GLY A 89 0.342 8.168 3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.824 8.746 6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.540 9.907 4.916 1.00 0.00 H new ATOM 1352 N LYS A 90 -1.134 10.227 7.150 1.00 0.00 N ATOM 1353 CA LYS A 90 -2.205 10.499 8.116 1.00 0.00 C ATOM 1354 C LYS A 90 -2.637 9.239 8.875 1.00 0.00 C ATOM 1355 O LYS A 90 -2.601 9.289 10.103 1.00 0.00 O ATOM 1356 CB LYS A 90 -3.408 11.272 7.522 1.00 0.00 C ATOM 1357 CG LYS A 90 -3.297 12.805 7.590 1.00 0.00 C ATOM 1358 CD LYS A 90 -2.196 13.407 6.708 1.00 0.00 C ATOM 1359 CE LYS A 90 -2.328 14.940 6.696 1.00 0.00 C ATOM 1360 NZ LYS A 90 -1.250 15.593 5.925 1.00 0.00 N ATOM 0 H LYS A 90 -0.273 10.722 7.383 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.765 11.178 8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.530 10.978 6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.312 10.965 8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.254 13.238 7.300 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.116 13.097 8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.215 13.119 7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.274 13.017 5.693 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.293 15.215 6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.314 15.311 7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.383 16.624 5.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.329 15.354 6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.278 15.261 4.940 1.00 0.00 H new ATOM 1374 N LYS A 91 -3.066 8.148 8.225 1.00 0.00 N ATOM 1375 CA LYS A 91 -3.513 6.950 8.947 1.00 0.00 C ATOM 1376 C LYS A 91 -2.317 6.078 9.310 1.00 0.00 C ATOM 1377 O LYS A 91 -1.792 6.251 10.407 1.00 0.00 O ATOM 1378 CB LYS A 91 -4.660 6.223 8.220 1.00 0.00 C ATOM 1379 CG LYS A 91 -5.220 4.968 8.932 1.00 0.00 C ATOM 1380 CD LYS A 91 -5.609 5.104 10.424 1.00 0.00 C ATOM 1381 CE LYS A 91 -4.508 4.562 11.356 1.00 0.00 C ATOM 1382 NZ LYS A 91 -4.925 4.396 12.765 1.00 0.00 N ATOM 0 H LYS A 91 -3.113 8.071 7.209 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.963 7.248 9.894 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.477 6.929 8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.310 5.930 7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.102 4.636 8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.476 4.175 8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.798 6.152 10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.538 4.565 10.608 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.168 3.599 10.975 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.654 5.238 11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.127 4.028 13.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.221 5.316 13.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.720 3.727 12.815 1.00 0.00 H new ATOM 1396 N LYS A 92 -1.952 5.074 8.510 1.00 0.00 N ATOM 1397 CA LYS A 92 -0.944 4.105 8.847 1.00 0.00 C ATOM 1398 C LYS A 92 -0.465 3.434 7.568 1.00 0.00 C ATOM 1399 O LYS A 92 -0.913 3.678 6.439 1.00 0.00 O ATOM 1400 CB LYS A 92 -1.560 3.071 9.825 1.00 0.00 C ATOM 1401 CG LYS A 92 -0.602 2.271 10.731 1.00 0.00 C ATOM 1402 CD LYS A 92 0.390 3.135 11.518 1.00 0.00 C ATOM 1403 CE LYS A 92 -0.312 3.980 12.587 1.00 0.00 C ATOM 1404 NZ LYS A 92 -0.599 3.197 13.803 1.00 0.00 N ATOM 0 H LYS A 92 -2.368 4.921 7.591 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.090 4.578 9.331 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.265 3.598 10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.137 2.357 9.237 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.192 1.683 11.434 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.043 1.565 10.116 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.133 2.494 11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.926 3.790 10.831 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.314 4.834 12.844 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.243 4.378 12.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.074 3.803 14.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.217 2.396 13.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.291 2.839 14.203 1.00 0.00 H new ATOM 1418 N TYR A 93 0.448 2.526 7.813 1.00 0.00 N ATOM 1419 CA TYR A 93 0.851 1.517 6.916 1.00 0.00 C ATOM 1420 C TYR A 93 -0.203 0.428 6.984 1.00 0.00 C ATOM 1421 O TYR A 93 -0.899 0.283 7.987 1.00 0.00 O ATOM 1422 CB TYR A 93 2.196 0.988 7.386 1.00 0.00 C ATOM 1423 CG TYR A 93 2.752 -0.116 6.554 1.00 0.00 C ATOM 1424 CD1 TYR A 93 3.400 0.215 5.367 1.00 0.00 C ATOM 1425 CD2 TYR A 93 2.518 -1.455 6.887 1.00 0.00 C ATOM 1426 CE1 TYR A 93 3.769 -0.773 4.463 1.00 0.00 C ATOM 1427 CE2 TYR A 93 2.847 -2.450 5.971 1.00 0.00 C ATOM 1428 CZ TYR A 93 3.466 -2.114 4.756 1.00 0.00 C ATOM 1429 OH TYR A 93 3.751 -3.093 3.876 1.00 0.00 O ATOM 0 H TYR A 93 0.948 2.486 8.701 1.00 0.00 H new ATOM 0 HA TYR A 93 0.950 1.878 5.892 1.00 0.00 H new ATOM 0 HB2 TYR A 93 2.911 1.811 7.400 1.00 0.00 H new ATOM 0 HB3 TYR A 93 2.095 0.636 8.413 1.00 0.00 H new ATOM 0 HD1 TYR A 93 3.618 1.250 5.147 1.00 0.00 H new ATOM 0 HD2 TYR A 93 2.087 -1.713 7.843 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.281 -0.515 3.548 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.626 -3.483 6.195 1.00 0.00 H new ATOM 0 HH TYR A 93 4.673 -3.396 4.011 1.00 0.00 H new ATOM 1439 N TYR A 94 -0.268 -0.361 5.936 1.00 0.00 N ATOM 1440 CA TYR A 94 -0.913 -1.624 5.816 1.00 0.00 C ATOM 1441 C TYR A 94 -0.096 -2.514 4.875 1.00 0.00 C ATOM 1442 O TYR A 94 0.648 -2.042 4.009 1.00 0.00 O ATOM 1443 CB TYR A 94 -2.234 -1.337 5.161 1.00 0.00 C ATOM 1444 CG TYR A 94 -3.302 -0.665 6.011 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -3.317 0.739 6.145 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -4.326 -1.433 6.598 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -4.363 1.380 6.826 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -5.401 -0.795 7.242 1.00 0.00 C ATOM 1449 CZ TYR A 94 -5.426 0.614 7.349 1.00 0.00 C ATOM 1450 OH TYR A 94 -6.487 1.251 7.914 1.00 0.00 O ATOM 0 H TYR A 94 0.182 -0.093 5.060 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.020 -2.120 6.780 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.049 -0.707 4.291 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.640 -2.279 4.792 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.516 1.326 5.720 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.286 -2.511 6.554 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.354 2.453 6.949 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.208 -1.382 7.655 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.320 0.846 7.594 1.00 0.00 H new ATOM 1460 N LEU A 95 -0.337 -3.814 4.987 1.00 0.00 N ATOM 1461 CA LEU A 95 0.295 -4.864 4.194 1.00 0.00 C ATOM 1462 C LEU A 95 -0.785 -5.573 3.399 1.00 0.00 C ATOM 1463 O LEU A 95 -1.850 -5.886 3.930 1.00 0.00 O ATOM 1464 CB LEU A 95 1.043 -5.865 5.095 1.00 0.00 C ATOM 1465 CG LEU A 95 1.755 -7.009 4.339 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.730 -6.465 3.286 1.00 0.00 C ATOM 1467 CD2 LEU A 95 2.502 -7.899 5.341 1.00 0.00 C ATOM 0 H LEU A 95 -1.007 -4.183 5.662 1.00 0.00 H new ATOM 0 HA LEU A 95 1.029 -4.421 3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.782 -5.321 5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.333 -6.300 5.799 1.00 0.00 H new ATOM 0 HG LEU A 95 1.000 -7.597 3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.213 -7.297 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.184 -5.861 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.487 -5.851 3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.004 -8.706 4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.241 -7.303 5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.792 -8.321 6.052 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.495 -5.857 2.139 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.390 -6.530 1.223 1.00 0.00 C ATOM 1481 C ILE A 96 -0.664 -7.789 0.755 1.00 0.00 C ATOM 1482 O ILE A 96 0.516 -7.714 0.403 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.687 -5.591 0.026 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -2.093 -4.144 0.409 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.712 -6.219 -0.933 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -3.410 -4.017 1.174 1.00 0.00 C ATOM 0 H ILE A 96 0.401 -5.615 1.716 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.339 -6.789 1.692 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.731 -5.486 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.297 -3.709 1.013 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.162 -3.550 -0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.900 -5.537 -1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.320 -7.160 -1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.644 -6.406 -0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.603 -2.967 1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.223 -4.416 0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.344 -4.577 2.107 1.00 0.00 H new ATOM 1498 N ARG A 97 -1.355 -8.924 0.694 1.00 0.00 N ATOM 1499 CA ARG A 97 -0.913 -10.116 -0.028 1.00 0.00 C ATOM 1500 C ARG A 97 -2.104 -10.728 -0.762 1.00 0.00 C ATOM 1501 O ARG A 97 -3.253 -10.267 -0.735 1.00 0.00 O ATOM 1502 CB ARG A 97 -0.264 -11.129 0.950 1.00 0.00 C ATOM 1503 CG ARG A 97 0.787 -12.109 0.399 1.00 0.00 C ATOM 1504 CD ARG A 97 0.998 -13.326 1.305 1.00 0.00 C ATOM 1505 NE ARG A 97 1.890 -14.297 0.647 1.00 0.00 N ATOM 1506 CZ ARG A 97 3.061 -14.769 1.086 1.00 0.00 C ATOM 1507 NH1 ARG A 97 3.489 -14.524 2.316 1.00 0.00 N ATOM 1508 NH2 ARG A 97 3.800 -15.505 0.268 1.00 0.00 N ATOM 0 H ARG A 97 -2.257 -9.044 1.155 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.156 -9.843 -0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.202 -10.561 1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -1.065 -11.718 1.397 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.478 -12.447 -0.590 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.735 -11.586 0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.428 -13.011 2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.039 -13.794 1.528 1.00 0.00 H new ATOM 0 HE ARG A 97 1.575 -14.653 -0.255 1.00 0.00 H new ATOM 0 HH11 ARG A 97 2.921 -13.964 2.952 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.386 -14.896 2.627 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.472 -15.702 -0.678 1.00 0.00 H new ATOM 0 HH22 ARG A 97 4.697 -15.874 0.584 1.00 0.00 H new ATOM 1522 N TYR A 98 -1.800 -11.836 -1.400 1.00 0.00 N ATOM 1523 CA TYR A 98 -2.722 -12.801 -1.894 1.00 0.00 C ATOM 1524 C TYR A 98 -2.424 -14.147 -1.242 1.00 0.00 C ATOM 1525 O TYR A 98 -1.339 -14.339 -0.687 1.00 0.00 O ATOM 1526 CB TYR A 98 -2.666 -12.840 -3.414 1.00 0.00 C ATOM 1527 CG TYR A 98 -1.392 -12.534 -4.184 1.00 0.00 C ATOM 1528 CD1 TYR A 98 -0.192 -13.221 -3.915 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -1.469 -11.676 -5.301 1.00 0.00 C ATOM 1530 CE1 TYR A 98 0.901 -13.112 -4.796 1.00 0.00 C ATOM 1531 CE2 TYR A 98 -0.388 -11.573 -6.190 1.00 0.00 C ATOM 1532 CZ TYR A 98 0.786 -12.319 -5.959 1.00 0.00 C ATOM 1533 OH TYR A 98 1.812 -12.215 -6.840 1.00 0.00 O ATOM 0 H TYR A 98 -0.832 -12.092 -1.594 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.746 -12.533 -1.633 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.981 -13.839 -3.714 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.425 -12.145 -3.774 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.110 -13.834 -3.029 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.364 -11.096 -5.473 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.823 -13.632 -4.583 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.455 -10.923 -7.050 1.00 0.00 H new ATOM 0 HH TYR A 98 1.483 -12.387 -7.747 1.00 0.00 H new ATOM 1543 N ALA A 99 -3.402 -15.052 -1.293 1.00 0.00 N ATOM 1544 CA ALA A 99 -3.426 -16.348 -0.626 1.00 0.00 C ATOM 1545 C ALA A 99 -2.501 -17.357 -1.308 1.00 0.00 C ATOM 1546 O ALA A 99 -2.926 -18.403 -1.805 1.00 0.00 O ATOM 1547 CB ALA A 99 -4.874 -16.846 -0.546 1.00 0.00 C ATOM 0 H ALA A 99 -4.250 -14.886 -1.836 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.041 -16.234 0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.898 -17.815 -0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.473 -16.132 0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -5.281 -16.945 -1.552 1.00 0.00 H new