USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 740 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 82 THR OG1 : rot 92:sc= 0.753 USER MOD Set 1.2: A 87 TYR OH : rot -150:sc= -2.44! USER MOD Set 2.1: A 67 HIS :FLIP no HE2:sc= -0.928 F(o=-3.8!,f=-2.1) USER MOD Set 2.2: A 76 TYR OH : rot 0:sc= -1.15 USER MOD Set 3.1: A 35 LYS NZ :NH3+ -173:sc= 0.0651 (180deg=-0.169) USER MOD Set 3.2: A 37 SER OG : rot 180:sc= -0.229 USER MOD Single : A 23 HIS : no HD1:sc= -0.0186 X(o=-0.019,f=-0.019) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -170:sc= -3.75! USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 157:sc= -0.0499 (180deg=-0.376) USER MOD Single : A 45 ASN : amide:sc= 0.0487 X(o=0.049,f=-0.23) USER MOD Single : A 49 THR OG1 : rot 150:sc= -0.759 USER MOD Single : A 51 TYR OH : rot 8:sc= -2.46 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0136 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0267 K(o=-0.027,f=-1.4) USER MOD Single : A 61 THR OG1 : rot -39:sc= 0.188 USER MOD Single : A 62 ASN : amide:sc= -5.16! C(o=-5.2!,f=-23!) USER MOD Single : A 63 THR OG1 : rot -79:sc= 1.98 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.069 K(o=-0.069,f=-6.2!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 83:sc= 0.713 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -165:sc= 0 (180deg=-0.498) USER MOD Single : A 95 THR OG1 : rot 150:sc= -0.775 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -4.33! C(o=-4.3!,f=-12!) USER MOD Single : A 101 GLN : amide:sc= -1.03 K(o=-1,f=-4.5!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0399 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -142:sc= -1.13! USER MOD ----------------------------------------------------------------- ATOM 202 N ASP A 16 16.606 -0.262 -12.969 1.00 0.00 N ATOM 203 CA ASP A 16 17.138 0.913 -12.301 1.00 0.00 C ATOM 204 C ASP A 16 16.343 1.169 -11.018 1.00 0.00 C ATOM 205 O ASP A 16 16.833 1.824 -10.100 1.00 0.00 O ATOM 206 CB ASP A 16 17.016 2.154 -13.187 1.00 0.00 C ATOM 207 CG ASP A 16 17.927 3.320 -12.797 1.00 0.00 C ATOM 208 OD1 ASP A 16 17.873 3.709 -11.610 1.00 0.00 O ATOM 209 OD2 ASP A 16 18.656 3.796 -13.694 1.00 0.00 O ATOM 0 HA ASP A 16 18.190 0.728 -12.082 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.235 1.870 -14.216 1.00 0.00 H new ATOM 0 HB3 ASP A 16 15.982 2.498 -13.165 1.00 0.00 H new ATOM 214 N VAL A 17 15.129 0.637 -10.997 1.00 0.00 N ATOM 215 CA VAL A 17 14.262 0.799 -9.842 1.00 0.00 C ATOM 216 C VAL A 17 14.324 -0.465 -8.982 1.00 0.00 C ATOM 217 O VAL A 17 14.804 -1.504 -9.433 1.00 0.00 O ATOM 218 CB VAL A 17 12.843 1.143 -10.298 1.00 0.00 C ATOM 219 CG1 VAL A 17 12.710 2.638 -10.596 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.438 0.303 -11.512 1.00 0.00 C ATOM 0 H VAL A 17 14.726 0.094 -11.761 1.00 0.00 H new ATOM 0 HA VAL A 17 14.601 1.630 -9.223 1.00 0.00 H new ATOM 0 HB VAL A 17 12.161 0.902 -9.482 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.692 2.856 -10.918 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.936 3.210 -9.696 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.408 2.915 -11.386 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.425 0.567 -11.816 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.126 0.497 -12.335 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.474 -0.755 -11.251 1.00 0.00 H new ATOM 230 N PRO A 18 13.819 -0.331 -7.726 1.00 0.00 N ATOM 231 CA PRO A 18 13.812 -1.449 -6.799 1.00 0.00 C ATOM 232 C PRO A 18 12.724 -2.460 -7.167 1.00 0.00 C ATOM 233 O PRO A 18 11.997 -2.268 -8.140 1.00 0.00 O ATOM 234 CB PRO A 18 13.604 -0.824 -5.430 1.00 0.00 C ATOM 235 CG PRO A 18 13.039 0.564 -5.687 1.00 0.00 C ATOM 236 CD PRO A 18 13.243 0.885 -7.159 1.00 0.00 C ATOM 0 HA PRO A 18 14.739 -2.021 -6.824 1.00 0.00 H new ATOM 0 HB2 PRO A 18 12.917 -1.420 -4.829 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.543 -0.768 -4.880 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.980 0.598 -5.432 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.541 1.302 -5.062 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.300 1.140 -7.643 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.909 1.738 -7.290 1.00 0.00 H new ATOM 244 N GLY A 19 12.645 -3.514 -6.368 1.00 0.00 N ATOM 245 CA GLY A 19 11.658 -4.555 -6.597 1.00 0.00 C ATOM 246 C GLY A 19 10.525 -4.471 -5.571 1.00 0.00 C ATOM 247 O GLY A 19 10.251 -3.401 -5.030 1.00 0.00 O ATOM 0 H GLY A 19 13.249 -3.669 -5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.250 -4.460 -7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.135 -5.533 -6.538 1.00 0.00 H new ATOM 251 N PRO A 20 9.881 -5.644 -5.329 1.00 0.00 N ATOM 252 CA PRO A 20 8.785 -5.714 -4.379 1.00 0.00 C ATOM 253 C PRO A 20 9.303 -5.661 -2.940 1.00 0.00 C ATOM 254 O PRO A 20 10.237 -6.379 -2.586 1.00 0.00 O ATOM 255 CB PRO A 20 8.065 -7.012 -4.703 1.00 0.00 C ATOM 256 CG PRO A 20 9.049 -7.845 -5.508 1.00 0.00 C ATOM 257 CD PRO A 20 10.179 -6.931 -5.952 1.00 0.00 C ATOM 0 HA PRO A 20 8.104 -4.866 -4.459 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.767 -7.531 -3.792 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.156 -6.822 -5.273 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.437 -8.666 -4.905 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.555 -8.289 -6.372 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.147 -7.313 -5.629 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.216 -6.846 -7.038 1.00 0.00 H new ATOM 265 N VAL A 21 8.673 -4.804 -2.149 1.00 0.00 N ATOM 266 CA VAL A 21 9.058 -4.649 -0.757 1.00 0.00 C ATOM 267 C VAL A 21 8.960 -6.002 -0.050 1.00 0.00 C ATOM 268 O VAL A 21 8.447 -6.966 -0.617 1.00 0.00 O ATOM 269 CB VAL A 21 8.203 -3.565 -0.096 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.710 -2.168 -0.461 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.728 -3.728 -0.467 1.00 0.00 C ATOM 0 H VAL A 21 7.899 -4.210 -2.446 1.00 0.00 H new ATOM 0 HA VAL A 21 10.094 -4.319 -0.682 1.00 0.00 H new ATOM 0 HB VAL A 21 8.291 -3.681 0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.085 -1.417 0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.740 -2.055 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.667 -2.036 -1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.143 -2.945 0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.614 -3.652 -1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.374 -4.704 -0.133 1.00 0.00 H new ATOM 281 N GLY A 22 9.459 -6.031 1.176 1.00 0.00 N ATOM 282 CA GLY A 22 9.434 -7.250 1.966 1.00 0.00 C ATOM 283 C GLY A 22 8.132 -8.022 1.742 1.00 0.00 C ATOM 284 O GLY A 22 8.037 -8.833 0.822 1.00 0.00 O ATOM 0 H GLY A 22 9.883 -5.229 1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.284 -7.878 1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.538 -7.005 3.023 1.00 0.00 H new ATOM 288 N HIS A 23 7.160 -7.742 2.598 1.00 0.00 N ATOM 289 CA HIS A 23 5.868 -8.400 2.505 1.00 0.00 C ATOM 290 C HIS A 23 4.778 -7.470 3.041 1.00 0.00 C ATOM 291 O HIS A 23 4.960 -6.824 4.072 1.00 0.00 O ATOM 292 CB HIS A 23 5.895 -9.754 3.217 1.00 0.00 C ATOM 293 CG HIS A 23 5.485 -9.692 4.669 1.00 0.00 C ATOM 294 ND1 HIS A 23 4.240 -10.100 5.115 1.00 0.00 N ATOM 295 CD2 HIS A 23 6.169 -9.268 5.771 1.00 0.00 C ATOM 296 CE1 HIS A 23 4.187 -9.924 6.427 1.00 0.00 C ATOM 297 NE2 HIS A 23 5.383 -9.407 6.831 1.00 0.00 N ATOM 0 H HIS A 23 7.242 -7.068 3.359 1.00 0.00 H new ATOM 0 HA HIS A 23 5.637 -8.609 1.460 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.233 -10.442 2.692 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.901 -10.168 3.151 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.179 -8.884 5.779 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.345 -10.150 7.065 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.632 -9.167 7.790 1.00 0.00 H new ATOM 305 N LEU A 24 3.670 -7.430 2.317 1.00 0.00 N ATOM 306 CA LEU A 24 2.551 -6.589 2.707 1.00 0.00 C ATOM 307 C LEU A 24 1.969 -7.102 4.026 1.00 0.00 C ATOM 308 O LEU A 24 1.860 -8.309 4.233 1.00 0.00 O ATOM 309 CB LEU A 24 1.525 -6.503 1.575 1.00 0.00 C ATOM 310 CG LEU A 24 1.576 -5.236 0.719 1.00 0.00 C ATOM 311 CD1 LEU A 24 0.843 -4.081 1.404 1.00 0.00 C ATOM 312 CD2 LEU A 24 3.020 -4.869 0.367 1.00 0.00 C ATOM 0 H LEU A 24 3.523 -7.966 1.462 1.00 0.00 H new ATOM 0 HA LEU A 24 2.886 -5.566 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.661 -7.365 0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.528 -6.585 2.008 1.00 0.00 H new ATOM 0 HG LEU A 24 1.057 -5.437 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.895 -3.193 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.200 -4.354 1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.312 -3.872 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.028 -3.965 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.585 -4.695 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.477 -5.686 -0.191 1.00 0.00 H new ATOM 324 N SER A 25 1.610 -6.158 4.884 1.00 0.00 N ATOM 325 CA SER A 25 1.042 -6.499 6.177 1.00 0.00 C ATOM 326 C SER A 25 -0.054 -5.497 6.547 1.00 0.00 C ATOM 327 O SER A 25 0.038 -4.318 6.209 1.00 0.00 O ATOM 328 CB SER A 25 2.121 -6.531 7.261 1.00 0.00 C ATOM 329 OG SER A 25 1.666 -7.176 8.448 1.00 0.00 O ATOM 0 H SER A 25 1.702 -5.157 4.709 1.00 0.00 H new ATOM 0 HA SER A 25 0.606 -7.496 6.108 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.001 -7.050 6.881 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.428 -5.512 7.497 1.00 0.00 H new ATOM 0 HG SER A 25 2.384 -7.178 9.115 1.00 0.00 H new ATOM 335 N PHE A 26 -1.065 -6.004 7.238 1.00 0.00 N ATOM 336 CA PHE A 26 -2.177 -5.168 7.658 1.00 0.00 C ATOM 337 C PHE A 26 -2.554 -5.448 9.114 1.00 0.00 C ATOM 338 O PHE A 26 -2.672 -6.604 9.517 1.00 0.00 O ATOM 339 CB PHE A 26 -3.365 -5.519 6.760 1.00 0.00 C ATOM 340 CG PHE A 26 -3.070 -5.399 5.263 1.00 0.00 C ATOM 341 CD1 PHE A 26 -2.354 -4.342 4.794 1.00 0.00 C ATOM 342 CD2 PHE A 26 -3.524 -6.349 4.402 1.00 0.00 C ATOM 343 CE1 PHE A 26 -2.081 -4.231 3.405 1.00 0.00 C ATOM 344 CE2 PHE A 26 -3.251 -6.238 3.013 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.535 -5.181 2.544 1.00 0.00 C ATOM 0 H PHE A 26 -1.137 -6.982 7.517 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.903 -4.116 7.577 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.682 -6.539 6.977 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.201 -4.865 7.009 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.993 -3.588 5.478 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.092 -7.188 4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.513 -3.392 3.032 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.612 -6.992 2.329 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.327 -5.096 1.488 1.00 0.00 H new ATOM 355 N SER A 27 -2.732 -4.370 9.864 1.00 0.00 N ATOM 356 CA SER A 27 -3.092 -4.486 11.267 1.00 0.00 C ATOM 357 C SER A 27 -4.147 -3.437 11.624 1.00 0.00 C ATOM 358 O SER A 27 -4.442 -2.550 10.823 1.00 0.00 O ATOM 359 CB SER A 27 -1.864 -4.331 12.166 1.00 0.00 C ATOM 360 OG SER A 27 -1.015 -5.474 12.112 1.00 0.00 O ATOM 0 H SER A 27 -2.634 -3.412 9.527 1.00 0.00 H new ATOM 0 HA SER A 27 -3.506 -5.481 11.433 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.302 -3.447 11.863 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.186 -4.167 13.194 1.00 0.00 H new ATOM 0 HG SER A 27 -0.242 -5.335 12.698 1.00 0.00 H new ATOM 366 N GLU A 28 -4.687 -3.572 12.826 1.00 0.00 N ATOM 367 CA GLU A 28 -5.703 -2.647 13.299 1.00 0.00 C ATOM 368 C GLU A 28 -6.677 -2.306 12.169 1.00 0.00 C ATOM 369 O GLU A 28 -6.882 -1.135 11.853 1.00 0.00 O ATOM 370 CB GLU A 28 -5.066 -1.380 13.874 1.00 0.00 C ATOM 371 CG GLU A 28 -4.260 -1.696 15.135 1.00 0.00 C ATOM 372 CD GLU A 28 -4.898 -1.053 16.369 1.00 0.00 C ATOM 373 OE1 GLU A 28 -6.142 -1.123 16.466 1.00 0.00 O ATOM 374 OE2 GLU A 28 -4.126 -0.506 17.186 1.00 0.00 O ATOM 0 H GLU A 28 -4.440 -4.308 13.487 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.261 -3.130 14.101 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.416 -0.924 13.127 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.843 -0.652 14.107 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.201 -2.776 15.272 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.239 -1.333 15.019 1.00 0.00 H new ATOM 381 N ILE A 29 -7.253 -3.351 11.592 1.00 0.00 N ATOM 382 CA ILE A 29 -8.201 -3.177 10.505 1.00 0.00 C ATOM 383 C ILE A 29 -9.577 -2.842 11.083 1.00 0.00 C ATOM 384 O ILE A 29 -9.917 -3.281 12.180 1.00 0.00 O ATOM 385 CB ILE A 29 -8.200 -4.404 9.592 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.771 -4.842 9.263 1.00 0.00 C ATOM 387 CG2 ILE A 29 -9.025 -4.149 8.329 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.702 -5.498 7.883 1.00 0.00 C ATOM 0 H ILE A 29 -7.081 -4.321 11.857 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.907 -2.338 9.874 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.675 -5.227 10.127 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.106 -3.979 9.293 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.418 -5.542 10.020 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.008 -5.037 7.697 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.054 -3.921 8.607 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.602 -3.307 7.782 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.676 -5.800 7.674 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.349 -6.375 7.864 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.032 -4.787 7.125 1.00 0.00 H new ATOM 400 N LEU A 30 -10.332 -2.066 10.318 1.00 0.00 N ATOM 401 CA LEU A 30 -11.664 -1.667 10.741 1.00 0.00 C ATOM 402 C LEU A 30 -12.666 -1.999 9.633 1.00 0.00 C ATOM 403 O LEU A 30 -12.601 -3.071 9.033 1.00 0.00 O ATOM 404 CB LEU A 30 -11.674 -0.195 11.159 1.00 0.00 C ATOM 405 CG LEU A 30 -10.598 0.225 12.161 1.00 0.00 C ATOM 406 CD1 LEU A 30 -10.295 1.720 12.046 1.00 0.00 C ATOM 407 CD2 LEU A 30 -10.989 -0.172 13.586 1.00 0.00 C ATOM 0 H LEU A 30 -10.047 -1.703 9.408 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.968 -2.228 11.625 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.567 0.417 10.263 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.650 0.034 11.587 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.680 -0.310 11.919 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.527 1.992 12.770 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.941 1.943 11.040 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.201 2.291 12.247 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.206 0.139 14.278 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.926 0.316 13.855 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.114 -1.253 13.641 1.00 0.00 H new ATOM 419 N ASP A 31 -13.570 -1.060 9.396 1.00 0.00 N ATOM 420 CA ASP A 31 -14.585 -1.239 8.372 1.00 0.00 C ATOM 421 C ASP A 31 -14.248 -0.358 7.167 1.00 0.00 C ATOM 422 O ASP A 31 -14.673 -0.642 6.048 1.00 0.00 O ATOM 423 CB ASP A 31 -15.966 -0.829 8.887 1.00 0.00 C ATOM 424 CG ASP A 31 -16.086 0.633 9.321 1.00 0.00 C ATOM 425 OD1 ASP A 31 -15.149 1.102 10.003 1.00 0.00 O ATOM 426 OD2 ASP A 31 -17.112 1.250 8.961 1.00 0.00 O ATOM 0 H ASP A 31 -13.621 -0.172 9.896 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.603 -2.293 8.095 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.701 -1.022 8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.226 -1.466 9.733 1.00 0.00 H new ATOM 431 N THR A 32 -13.488 0.693 7.437 1.00 0.00 N ATOM 432 CA THR A 32 -13.090 1.617 6.389 1.00 0.00 C ATOM 433 C THR A 32 -11.752 2.273 6.736 1.00 0.00 C ATOM 434 O THR A 32 -11.463 3.380 6.284 1.00 0.00 O ATOM 435 CB THR A 32 -14.225 2.622 6.188 1.00 0.00 C ATOM 436 OG1 THR A 32 -14.265 3.350 7.413 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.597 1.949 6.111 1.00 0.00 C ATOM 0 H THR A 32 -13.137 0.925 8.366 1.00 0.00 H new ATOM 0 HA THR A 32 -12.926 1.097 5.445 1.00 0.00 H new ATOM 0 HB THR A 32 -14.048 3.191 5.275 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.973 4.026 7.369 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.367 2.707 5.968 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.614 1.252 5.273 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.789 1.407 7.037 1.00 0.00 H new ATOM 445 N SER A 33 -10.971 1.562 7.537 1.00 0.00 N ATOM 446 CA SER A 33 -9.671 2.062 7.950 1.00 0.00 C ATOM 447 C SER A 33 -8.792 0.903 8.426 1.00 0.00 C ATOM 448 O SER A 33 -9.208 0.109 9.268 1.00 0.00 O ATOM 449 CB SER A 33 -9.809 3.110 9.056 1.00 0.00 C ATOM 450 OG SER A 33 -10.996 2.925 9.822 1.00 0.00 O ATOM 0 H SER A 33 -11.214 0.644 7.910 1.00 0.00 H new ATOM 0 HA SER A 33 -9.200 2.539 7.091 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.941 3.059 9.714 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.815 4.106 8.613 1.00 0.00 H new ATOM 0 HG SER A 33 -11.130 3.698 10.410 1.00 0.00 H new ATOM 456 N LEU A 34 -7.593 0.842 7.864 1.00 0.00 N ATOM 457 CA LEU A 34 -6.653 -0.207 8.220 1.00 0.00 C ATOM 458 C LEU A 34 -5.225 0.316 8.050 1.00 0.00 C ATOM 459 O LEU A 34 -4.976 1.194 7.226 1.00 0.00 O ATOM 460 CB LEU A 34 -6.941 -1.479 7.421 1.00 0.00 C ATOM 461 CG LEU A 34 -6.673 -1.401 5.916 1.00 0.00 C ATOM 462 CD1 LEU A 34 -5.171 -1.387 5.627 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.389 -2.531 5.173 1.00 0.00 C ATOM 0 H LEU A 34 -7.252 1.502 7.165 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.770 -0.484 9.268 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.340 -2.289 7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.986 -1.749 7.570 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.081 -0.461 5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.008 -1.331 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.716 -0.521 6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.717 -2.299 6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.182 -2.453 4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.032 -3.493 5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.463 -2.454 5.341 1.00 0.00 H new ATOM 475 N LYS A 35 -4.325 -0.247 8.843 1.00 0.00 N ATOM 476 CA LYS A 35 -2.928 0.151 8.791 1.00 0.00 C ATOM 477 C LYS A 35 -2.169 -0.788 7.851 1.00 0.00 C ATOM 478 O LYS A 35 -2.373 -2.000 7.881 1.00 0.00 O ATOM 479 CB LYS A 35 -2.337 0.220 10.200 1.00 0.00 C ATOM 480 CG LYS A 35 -1.096 1.113 10.232 1.00 0.00 C ATOM 481 CD LYS A 35 0.160 0.320 9.863 1.00 0.00 C ATOM 482 CE LYS A 35 0.815 -0.279 11.109 1.00 0.00 C ATOM 483 NZ LYS A 35 0.878 -1.754 11.003 1.00 0.00 N ATOM 0 H LYS A 35 -4.536 -0.976 9.525 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.834 1.157 8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.085 0.606 10.893 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.076 -0.783 10.538 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.223 1.943 9.538 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.979 1.544 11.226 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.100 -0.476 9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.869 0.972 9.352 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.820 0.126 11.229 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.249 0.004 11.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.215 -2.153 11.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.069 -2.128 10.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.533 -2.020 10.240 1.00 0.00 H new ATOM 497 N VAL A 36 -1.310 -0.191 7.037 1.00 0.00 N ATOM 498 CA VAL A 36 -0.520 -0.960 6.090 1.00 0.00 C ATOM 499 C VAL A 36 0.952 -0.914 6.505 1.00 0.00 C ATOM 500 O VAL A 36 1.452 0.132 6.918 1.00 0.00 O ATOM 501 CB VAL A 36 -0.757 -0.442 4.670 1.00 0.00 C ATOM 502 CG1 VAL A 36 0.239 -1.061 3.688 1.00 0.00 C ATOM 503 CG2 VAL A 36 -2.198 -0.701 4.226 1.00 0.00 C ATOM 0 H VAL A 36 -1.144 0.815 7.014 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.827 -2.006 6.096 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.597 0.636 4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.049 -0.676 2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.254 -0.804 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.124 -2.145 3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.340 -0.323 3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.398 -1.772 4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.884 -0.192 4.903 1.00 0.00 H new ATOM 513 N SER A 37 1.605 -2.060 6.381 1.00 0.00 N ATOM 514 CA SER A 37 3.009 -2.164 6.738 1.00 0.00 C ATOM 515 C SER A 37 3.738 -3.066 5.740 1.00 0.00 C ATOM 516 O SER A 37 3.127 -3.944 5.131 1.00 0.00 O ATOM 517 CB SER A 37 3.178 -2.701 8.161 1.00 0.00 C ATOM 518 OG SER A 37 2.036 -3.436 8.592 1.00 0.00 O ATOM 0 H SER A 37 1.187 -2.925 6.038 1.00 0.00 H new ATOM 0 HA SER A 37 3.445 -1.166 6.701 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.059 -3.341 8.205 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.353 -1.870 8.844 1.00 0.00 H new ATOM 0 HG SER A 37 2.183 -3.764 9.504 1.00 0.00 H new ATOM 524 N TRP A 38 5.032 -2.820 5.604 1.00 0.00 N ATOM 525 CA TRP A 38 5.850 -3.600 4.690 1.00 0.00 C ATOM 526 C TRP A 38 7.295 -3.553 5.192 1.00 0.00 C ATOM 527 O TRP A 38 7.551 -3.130 6.318 1.00 0.00 O ATOM 528 CB TRP A 38 5.700 -3.096 3.253 1.00 0.00 C ATOM 529 CG TRP A 38 5.999 -1.605 3.082 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.175 -1.026 2.806 1.00 0.00 C ATOM 531 CD2 TRP A 38 5.052 -0.521 3.188 1.00 0.00 C ATOM 532 NE1 TRP A 38 7.057 0.347 2.726 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.725 0.664 2.966 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.674 -0.540 3.463 1.00 0.00 C ATOM 535 CZ2 TRP A 38 5.101 1.917 2.995 1.00 0.00 C ATOM 536 CZ3 TRP A 38 3.065 0.720 3.489 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.728 1.922 3.267 1.00 0.00 C ATOM 0 H TRP A 38 5.535 -2.092 6.111 1.00 0.00 H new ATOM 0 HA TRP A 38 5.522 -4.639 4.669 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.368 -3.666 2.607 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.683 -3.293 2.914 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.100 -1.566 2.664 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.809 1.007 2.527 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.128 -1.455 3.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.649 2.830 2.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 2.006 0.762 3.696 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.186 2.855 3.304 1.00 0.00 H new ATOM 548 N GLN A 39 8.201 -3.995 4.332 1.00 0.00 N ATOM 549 CA GLN A 39 9.613 -4.009 4.674 1.00 0.00 C ATOM 550 C GLN A 39 10.455 -3.576 3.472 1.00 0.00 C ATOM 551 O GLN A 39 9.917 -3.303 2.399 1.00 0.00 O ATOM 552 CB GLN A 39 10.042 -5.390 5.175 1.00 0.00 C ATOM 553 CG GLN A 39 10.130 -5.416 6.702 1.00 0.00 C ATOM 554 CD GLN A 39 11.587 -5.386 7.168 1.00 0.00 C ATOM 555 OE1 GLN A 39 12.112 -4.367 7.586 1.00 0.00 O ATOM 556 NE2 GLN A 39 12.209 -6.558 7.073 1.00 0.00 N ATOM 0 H GLN A 39 7.985 -4.346 3.399 1.00 0.00 H new ATOM 0 HA GLN A 39 9.778 -3.298 5.483 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.329 -6.142 4.835 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.010 -5.652 4.747 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.595 -4.561 7.115 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.641 -6.313 7.083 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.710 -7.372 6.714 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.184 -6.642 7.359 1.00 0.00 H new ATOM 565 N GLU A 40 11.760 -3.527 3.691 1.00 0.00 N ATOM 566 CA GLU A 40 12.681 -3.132 2.639 1.00 0.00 C ATOM 567 C GLU A 40 12.955 -4.311 1.703 1.00 0.00 C ATOM 568 O GLU A 40 13.152 -5.437 2.158 1.00 0.00 O ATOM 569 CB GLU A 40 13.983 -2.585 3.227 1.00 0.00 C ATOM 570 CG GLU A 40 14.181 -1.116 2.849 1.00 0.00 C ATOM 571 CD GLU A 40 15.246 -0.461 3.731 1.00 0.00 C ATOM 572 OE1 GLU A 40 16.119 -1.212 4.218 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.164 0.775 3.898 1.00 0.00 O ATOM 0 H GLU A 40 12.202 -3.754 4.582 1.00 0.00 H new ATOM 0 HA GLU A 40 12.219 -2.333 2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.967 -2.686 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.826 -3.174 2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.476 -1.043 1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.238 -0.580 2.953 1.00 0.00 H new ATOM 580 N PRO A 41 12.960 -4.005 0.378 1.00 0.00 N ATOM 581 CA PRO A 41 13.206 -5.026 -0.626 1.00 0.00 C ATOM 582 C PRO A 41 14.689 -5.402 -0.673 1.00 0.00 C ATOM 583 O PRO A 41 15.553 -4.568 -0.406 1.00 0.00 O ATOM 584 CB PRO A 41 12.705 -4.426 -1.929 1.00 0.00 C ATOM 585 CG PRO A 41 12.625 -2.926 -1.694 1.00 0.00 C ATOM 586 CD PRO A 41 12.731 -2.683 -0.197 1.00 0.00 C ATOM 0 HA PRO A 41 12.690 -5.961 -0.409 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.382 -4.657 -2.751 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.729 -4.832 -2.196 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.429 -2.413 -2.222 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.686 -2.529 -2.080 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.550 -2.002 0.037 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.820 -2.232 0.197 1.00 0.00 H new ATOM 594 N GLY A 42 14.937 -6.658 -1.014 1.00 0.00 N ATOM 595 CA GLY A 42 16.300 -7.154 -1.099 1.00 0.00 C ATOM 596 C GLY A 42 17.031 -6.547 -2.298 1.00 0.00 C ATOM 597 O GLY A 42 18.223 -6.784 -2.488 1.00 0.00 O ATOM 0 H GLY A 42 14.218 -7.347 -1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.836 -6.913 -0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.291 -8.240 -1.186 1.00 0.00 H new ATOM 601 N GLU A 43 16.286 -5.776 -3.076 1.00 0.00 N ATOM 602 CA GLU A 43 16.848 -5.132 -4.251 1.00 0.00 C ATOM 603 C GLU A 43 17.345 -3.728 -3.901 1.00 0.00 C ATOM 604 O GLU A 43 18.508 -3.548 -3.543 1.00 0.00 O ATOM 605 CB GLU A 43 15.829 -5.085 -5.391 1.00 0.00 C ATOM 606 CG GLU A 43 15.842 -6.388 -6.193 1.00 0.00 C ATOM 607 CD GLU A 43 16.859 -6.320 -7.334 1.00 0.00 C ATOM 608 OE1 GLU A 43 18.025 -6.690 -7.077 1.00 0.00 O ATOM 609 OE2 GLU A 43 16.448 -5.899 -8.436 1.00 0.00 O ATOM 0 H GLU A 43 15.297 -5.583 -2.916 1.00 0.00 H new ATOM 0 HA GLU A 43 17.698 -5.722 -4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.832 -4.914 -4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.054 -4.246 -6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.084 -7.222 -5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 43 14.848 -6.580 -6.598 1.00 0.00 H new ATOM 616 N LYS A 44 16.439 -2.768 -4.018 1.00 0.00 N ATOM 617 CA LYS A 44 16.770 -1.386 -3.719 1.00 0.00 C ATOM 618 C LYS A 44 17.305 -0.709 -4.982 1.00 0.00 C ATOM 619 O LYS A 44 17.048 0.471 -5.215 1.00 0.00 O ATOM 620 CB LYS A 44 17.728 -1.310 -2.528 1.00 0.00 C ATOM 621 CG LYS A 44 17.232 -2.178 -1.370 1.00 0.00 C ATOM 622 CD LYS A 44 16.813 -1.315 -0.178 1.00 0.00 C ATOM 623 CE LYS A 44 16.868 -2.114 1.125 1.00 0.00 C ATOM 624 NZ LYS A 44 18.272 -2.392 1.503 1.00 0.00 N ATOM 0 H LYS A 44 15.476 -2.921 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 44 15.878 -0.838 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 44 18.721 -1.638 -2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.822 -0.276 -2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.388 -2.783 -1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 44 18.019 -2.868 -1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.469 -0.448 -0.104 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.802 -0.938 -0.335 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.374 -1.557 1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.324 -3.051 1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.327 -2.571 2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.611 -3.229 0.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.865 -1.572 1.262 1.00 0.00 H new ATOM 638 N ASN A 45 18.040 -1.485 -5.765 1.00 0.00 N ATOM 639 CA ASN A 45 18.613 -0.976 -6.999 1.00 0.00 C ATOM 640 C ASN A 45 19.108 0.455 -6.774 1.00 0.00 C ATOM 641 O ASN A 45 19.106 1.268 -7.696 1.00 0.00 O ATOM 642 CB ASN A 45 17.572 -0.945 -8.119 1.00 0.00 C ATOM 643 CG ASN A 45 17.663 -2.202 -8.987 1.00 0.00 C ATOM 644 OD1 ASN A 45 18.334 -2.237 -10.005 1.00 0.00 O ATOM 645 ND2 ASN A 45 16.951 -3.228 -8.529 1.00 0.00 N ATOM 0 H ASN A 45 18.252 -2.463 -5.568 1.00 0.00 H new ATOM 0 HA ASN A 45 19.432 -1.635 -7.287 1.00 0.00 H new ATOM 0 HB2 ASN A 45 16.573 -0.867 -7.690 1.00 0.00 H new ATOM 0 HB3 ASN A 45 17.724 -0.060 -8.737 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.945 -4.112 -9.038 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.411 -3.131 -7.669 1.00 0.00 H new ATOM 652 N GLY A 46 19.519 0.718 -5.542 1.00 0.00 N ATOM 653 CA GLY A 46 20.015 2.036 -5.184 1.00 0.00 C ATOM 654 C GLY A 46 19.468 2.477 -3.825 1.00 0.00 C ATOM 655 O GLY A 46 18.676 1.765 -3.210 1.00 0.00 O ATOM 0 H GLY A 46 19.519 0.041 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.105 2.023 -5.155 1.00 0.00 H new ATOM 0 HA3 GLY A 46 19.725 2.757 -5.948 1.00 0.00 H new ATOM 659 N ILE A 47 19.912 3.649 -3.397 1.00 0.00 N ATOM 660 CA ILE A 47 19.476 4.194 -2.122 1.00 0.00 C ATOM 661 C ILE A 47 18.024 4.660 -2.241 1.00 0.00 C ATOM 662 O ILE A 47 17.738 5.646 -2.918 1.00 0.00 O ATOM 663 CB ILE A 47 20.437 5.288 -1.651 1.00 0.00 C ATOM 664 CG1 ILE A 47 21.786 4.694 -1.242 1.00 0.00 C ATOM 665 CG2 ILE A 47 19.812 6.119 -0.528 1.00 0.00 C ATOM 666 CD1 ILE A 47 21.598 3.503 -0.299 1.00 0.00 C ATOM 0 H ILE A 47 20.569 4.237 -3.910 1.00 0.00 H new ATOM 0 HA ILE A 47 19.502 3.425 -1.350 1.00 0.00 H new ATOM 0 HB ILE A 47 20.623 5.963 -2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.332 4.376 -2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.390 5.458 -0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.515 6.889 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.897 6.589 -0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.578 5.471 0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.572 3.100 -0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 47 21.073 3.829 0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 47 21.014 2.731 -0.800 1.00 0.00 H new ATOM 678 N LEU A 48 17.144 3.929 -1.571 1.00 0.00 N ATOM 679 CA LEU A 48 15.729 4.256 -1.593 1.00 0.00 C ATOM 680 C LEU A 48 15.546 5.738 -1.261 1.00 0.00 C ATOM 681 O LEU A 48 16.306 6.299 -0.473 1.00 0.00 O ATOM 682 CB LEU A 48 14.948 3.318 -0.670 1.00 0.00 C ATOM 683 CG LEU A 48 15.203 1.821 -0.864 1.00 0.00 C ATOM 684 CD1 LEU A 48 14.397 0.994 0.139 1.00 0.00 C ATOM 685 CD2 LEU A 48 14.924 1.400 -2.309 1.00 0.00 C ATOM 0 H LEU A 48 17.384 3.112 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 48 15.318 4.100 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.185 3.576 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.883 3.506 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 48 16.258 1.626 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.596 -0.066 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.686 1.269 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.334 1.188 -0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.113 0.332 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.884 1.612 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.577 1.956 -2.982 1.00 0.00 H new ATOM 697 N THR A 49 14.534 6.330 -1.878 1.00 0.00 N ATOM 698 CA THR A 49 14.242 7.736 -1.657 1.00 0.00 C ATOM 699 C THR A 49 12.875 7.898 -0.991 1.00 0.00 C ATOM 700 O THR A 49 12.579 8.947 -0.420 1.00 0.00 O ATOM 701 CB THR A 49 14.353 8.459 -3.001 1.00 0.00 C ATOM 702 OG1 THR A 49 13.470 7.738 -3.857 1.00 0.00 O ATOM 703 CG2 THR A 49 15.728 8.281 -3.650 1.00 0.00 C ATOM 0 H THR A 49 13.906 5.861 -2.531 1.00 0.00 H new ATOM 0 HA THR A 49 14.959 8.186 -0.970 1.00 0.00 H new ATOM 0 HB THR A 49 14.153 9.521 -2.859 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.104 8.344 -4.535 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.753 8.814 -4.601 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.497 8.681 -2.989 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.914 7.221 -3.823 1.00 0.00 H new ATOM 711 N GLY A 50 12.076 6.845 -1.087 1.00 0.00 N ATOM 712 CA GLY A 50 10.747 6.858 -0.501 1.00 0.00 C ATOM 713 C GLY A 50 9.925 5.659 -0.980 1.00 0.00 C ATOM 714 O GLY A 50 10.465 4.733 -1.583 1.00 0.00 O ATOM 0 H GLY A 50 12.324 5.977 -1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.825 6.839 0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.237 7.783 -0.768 1.00 0.00 H new ATOM 718 N TYR A 51 8.633 5.716 -0.692 1.00 0.00 N ATOM 719 CA TYR A 51 7.732 4.646 -1.086 1.00 0.00 C ATOM 720 C TYR A 51 6.389 5.207 -1.560 1.00 0.00 C ATOM 721 O TYR A 51 5.885 6.179 -0.999 1.00 0.00 O ATOM 722 CB TYR A 51 7.503 3.804 0.170 1.00 0.00 C ATOM 723 CG TYR A 51 8.702 2.940 0.567 1.00 0.00 C ATOM 724 CD1 TYR A 51 8.941 1.749 -0.087 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.545 3.353 1.579 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.070 0.936 0.287 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.673 2.540 1.953 1.00 0.00 C ATOM 728 CZ TYR A 51 10.880 1.372 1.288 1.00 0.00 C ATOM 729 OH TYR A 51 11.946 0.605 1.641 1.00 0.00 O ATOM 0 H TYR A 51 8.189 6.486 -0.191 1.00 0.00 H new ATOM 0 HA TYR A 51 8.158 4.068 -1.906 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.255 4.467 0.999 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.640 3.158 0.010 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.282 1.426 -0.879 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.359 4.286 2.090 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.268 0.001 -0.216 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.340 2.851 2.744 1.00 0.00 H new ATOM 0 HH TYR A 51 12.044 -0.132 1.003 1.00 0.00 H new ATOM 739 N ARG A 52 5.849 4.572 -2.590 1.00 0.00 N ATOM 740 CA ARG A 52 4.576 4.995 -3.146 1.00 0.00 C ATOM 741 C ARG A 52 3.496 3.951 -2.855 1.00 0.00 C ATOM 742 O ARG A 52 3.463 2.895 -3.485 1.00 0.00 O ATOM 743 CB ARG A 52 4.678 5.206 -4.658 1.00 0.00 C ATOM 744 CG ARG A 52 3.582 6.151 -5.155 1.00 0.00 C ATOM 745 CD ARG A 52 3.120 5.764 -6.561 1.00 0.00 C ATOM 746 NE ARG A 52 4.134 6.174 -7.558 1.00 0.00 N ATOM 747 CZ ARG A 52 3.941 6.140 -8.884 1.00 0.00 C ATOM 748 NH1 ARG A 52 2.771 5.714 -9.380 1.00 0.00 N ATOM 749 NH2 ARG A 52 4.918 6.532 -9.713 1.00 0.00 N ATOM 0 H ARG A 52 6.271 3.767 -3.054 1.00 0.00 H new ATOM 0 HA ARG A 52 4.307 5.941 -2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.657 5.616 -4.906 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.595 4.247 -5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.735 6.123 -4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.955 7.175 -5.160 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.958 4.687 -6.616 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.166 6.241 -6.783 1.00 0.00 H new ATOM 0 HE ARG A 52 5.036 6.503 -7.215 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.028 5.416 -8.748 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.624 5.688 -10.389 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.808 6.856 -9.335 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.772 6.506 -10.722 1.00 0.00 H new ATOM 763 N ILE A 53 2.639 4.282 -1.901 1.00 0.00 N ATOM 764 CA ILE A 53 1.561 3.386 -1.519 1.00 0.00 C ATOM 765 C ILE A 53 0.287 3.777 -2.272 1.00 0.00 C ATOM 766 O ILE A 53 0.071 4.952 -2.563 1.00 0.00 O ATOM 767 CB ILE A 53 1.394 3.365 0.002 1.00 0.00 C ATOM 768 CG1 ILE A 53 0.367 2.314 0.426 1.00 0.00 C ATOM 769 CG2 ILE A 53 1.044 4.757 0.534 1.00 0.00 C ATOM 770 CD1 ILE A 53 0.078 2.404 1.926 1.00 0.00 C ATOM 0 H ILE A 53 2.669 5.159 -1.381 1.00 0.00 H new ATOM 0 HA ILE A 53 1.799 2.361 -1.804 1.00 0.00 H new ATOM 0 HB ILE A 53 2.348 3.081 0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.557 2.456 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.738 1.319 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.931 4.715 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.842 5.455 0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.110 5.094 0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.655 1.646 2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.999 2.238 2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.316 3.393 2.162 1.00 0.00 H new ATOM 782 N SER A 54 -0.521 2.769 -2.566 1.00 0.00 N ATOM 783 CA SER A 54 -1.767 2.993 -3.279 1.00 0.00 C ATOM 784 C SER A 54 -2.787 1.917 -2.901 1.00 0.00 C ATOM 785 O SER A 54 -2.621 0.749 -3.250 1.00 0.00 O ATOM 786 CB SER A 54 -1.542 3.003 -4.792 1.00 0.00 C ATOM 787 OG SER A 54 -0.164 2.861 -5.127 1.00 0.00 O ATOM 0 H SER A 54 -0.337 1.795 -2.323 1.00 0.00 H new ATOM 0 HA SER A 54 -2.155 3.970 -2.990 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.112 2.194 -5.249 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.922 3.935 -5.209 1.00 0.00 H new ATOM 0 HG SER A 54 -0.062 2.870 -6.102 1.00 0.00 H new ATOM 793 N TRP A 55 -3.820 2.349 -2.193 1.00 0.00 N ATOM 794 CA TRP A 55 -4.867 1.437 -1.765 1.00 0.00 C ATOM 795 C TRP A 55 -6.062 1.612 -2.705 1.00 0.00 C ATOM 796 O TRP A 55 -6.301 2.707 -3.212 1.00 0.00 O ATOM 797 CB TRP A 55 -5.225 1.665 -0.295 1.00 0.00 C ATOM 798 CG TRP A 55 -5.886 3.017 -0.017 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.126 3.410 -0.338 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.287 4.145 0.655 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.369 4.704 0.076 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.215 5.165 0.699 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.003 4.298 1.208 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -5.959 6.410 1.286 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -3.763 5.548 1.791 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.687 6.585 1.843 1.00 0.00 C ATOM 0 H TRP A 55 -3.954 3.318 -1.905 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.526 0.404 -1.825 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.895 0.870 0.032 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.319 1.585 0.305 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.845 2.792 -0.856 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.236 5.226 -0.052 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.261 3.514 1.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.703 7.193 1.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.792 5.718 2.231 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.424 7.522 2.311 1.00 0.00 H new ATOM 817 N GLU A 56 -6.779 0.517 -2.909 1.00 0.00 N ATOM 818 CA GLU A 56 -7.943 0.537 -3.779 1.00 0.00 C ATOM 819 C GLU A 56 -8.775 -0.732 -3.580 1.00 0.00 C ATOM 820 O GLU A 56 -8.251 -1.763 -3.162 1.00 0.00 O ATOM 821 CB GLU A 56 -7.529 0.697 -5.243 1.00 0.00 C ATOM 822 CG GLU A 56 -6.958 -0.609 -5.799 1.00 0.00 C ATOM 823 CD GLU A 56 -6.468 -0.425 -7.236 1.00 0.00 C ATOM 824 OE1 GLU A 56 -7.247 0.139 -8.034 1.00 0.00 O ATOM 825 OE2 GLU A 56 -5.324 -0.853 -7.505 1.00 0.00 O ATOM 0 H GLU A 56 -6.577 -0.389 -2.487 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.558 1.397 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.391 1.003 -5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.785 1.489 -5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.134 -0.947 -5.170 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.722 -1.386 -5.768 1.00 0.00 H new ATOM 832 N GLU A 57 -10.058 -0.614 -3.889 1.00 0.00 N ATOM 833 CA GLU A 57 -10.968 -1.738 -3.750 1.00 0.00 C ATOM 834 C GLU A 57 -10.464 -2.933 -4.562 1.00 0.00 C ATOM 835 O GLU A 57 -9.531 -2.801 -5.353 1.00 0.00 O ATOM 836 CB GLU A 57 -12.387 -1.350 -4.169 1.00 0.00 C ATOM 837 CG GLU A 57 -13.273 -1.108 -2.946 1.00 0.00 C ATOM 838 CD GLU A 57 -14.744 -1.376 -3.272 1.00 0.00 C ATOM 839 OE1 GLU A 57 -15.098 -2.571 -3.355 1.00 0.00 O ATOM 840 OE2 GLU A 57 -15.480 -0.378 -3.431 1.00 0.00 O ATOM 0 H GLU A 57 -10.489 0.243 -4.235 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.001 -2.026 -2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.355 -0.450 -4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.817 -2.141 -4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.955 -1.755 -2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.154 -0.080 -2.604 1.00 0.00 H new ATOM 847 N TYR A 58 -11.103 -4.072 -4.339 1.00 0.00 N ATOM 848 CA TYR A 58 -10.731 -5.289 -5.040 1.00 0.00 C ATOM 849 C TYR A 58 -10.490 -5.014 -6.525 1.00 0.00 C ATOM 850 O TYR A 58 -9.385 -5.215 -7.027 1.00 0.00 O ATOM 851 CB TYR A 58 -11.921 -6.239 -4.895 1.00 0.00 C ATOM 852 CG TYR A 58 -11.880 -7.436 -5.847 1.00 0.00 C ATOM 853 CD1 TYR A 58 -10.780 -8.268 -5.863 1.00 0.00 C ATOM 854 CD2 TYR A 58 -12.945 -7.684 -6.690 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.742 -9.395 -6.759 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.907 -8.810 -7.586 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.807 -9.610 -7.576 1.00 0.00 C ATOM 858 OH TYR A 58 -11.771 -10.674 -8.423 1.00 0.00 O ATOM 0 H TYR A 58 -11.876 -4.178 -3.682 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.812 -5.705 -4.627 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.958 -6.605 -3.869 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.841 -5.681 -5.068 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.947 -8.074 -5.203 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.807 -7.033 -6.677 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.887 -10.054 -6.781 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.733 -9.015 -8.251 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.600 -10.704 -8.945 1.00 0.00 H new ATOM 868 N ASN A 59 -11.543 -4.558 -7.188 1.00 0.00 N ATOM 869 CA ASN A 59 -11.460 -4.254 -8.607 1.00 0.00 C ATOM 870 C ASN A 59 -12.172 -2.928 -8.882 1.00 0.00 C ATOM 871 O ASN A 59 -13.025 -2.848 -9.765 1.00 0.00 O ATOM 872 CB ASN A 59 -12.141 -5.339 -9.443 1.00 0.00 C ATOM 873 CG ASN A 59 -11.657 -5.297 -10.894 1.00 0.00 C ATOM 874 OD1 ASN A 59 -10.957 -4.391 -11.317 1.00 0.00 O ATOM 875 ND2 ASN A 59 -12.067 -6.325 -11.631 1.00 0.00 N ATOM 0 H ASN A 59 -12.458 -4.392 -6.769 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.406 -4.198 -8.879 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.931 -6.319 -9.014 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.222 -5.202 -9.412 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.797 -6.389 -12.613 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.652 -7.050 -11.215 1.00 0.00 H new ATOM 882 N ARG A 60 -11.796 -1.920 -8.109 1.00 0.00 N ATOM 883 CA ARG A 60 -12.388 -0.601 -8.258 1.00 0.00 C ATOM 884 C ARG A 60 -11.309 0.479 -8.163 1.00 0.00 C ATOM 885 O ARG A 60 -11.069 1.030 -7.090 1.00 0.00 O ATOM 886 CB ARG A 60 -13.448 -0.348 -7.184 1.00 0.00 C ATOM 887 CG ARG A 60 -14.858 -0.501 -7.759 1.00 0.00 C ATOM 888 CD ARG A 60 -15.916 -0.343 -6.665 1.00 0.00 C ATOM 889 NE ARG A 60 -17.177 0.163 -7.250 1.00 0.00 N ATOM 890 CZ ARG A 60 -18.357 0.158 -6.614 1.00 0.00 C ATOM 891 NH1 ARG A 60 -18.443 -0.327 -5.368 1.00 0.00 N ATOM 892 NH2 ARG A 60 -19.449 0.638 -7.223 1.00 0.00 N ATOM 0 H ARG A 60 -11.089 -1.990 -7.377 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.863 -0.560 -9.238 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.310 -1.047 -6.359 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.325 0.655 -6.775 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -15.020 0.245 -8.537 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -14.959 -1.479 -8.229 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -16.091 -1.301 -6.176 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.559 0.345 -5.899 1.00 0.00 H new ATOM 0 HE ARG A 60 -17.147 0.540 -8.197 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -17.611 -0.692 -4.904 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -19.340 -0.331 -4.883 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -19.383 1.008 -8.171 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -20.347 0.634 -6.738 1.00 0.00 H new ATOM 906 N THR A 61 -10.686 0.750 -9.301 1.00 0.00 N ATOM 907 CA THR A 61 -9.638 1.754 -9.359 1.00 0.00 C ATOM 908 C THR A 61 -10.184 3.121 -8.943 1.00 0.00 C ATOM 909 O THR A 61 -9.421 4.014 -8.578 1.00 0.00 O ATOM 910 CB THR A 61 -9.048 1.740 -10.771 1.00 0.00 C ATOM 911 OG1 THR A 61 -8.468 0.445 -10.893 1.00 0.00 O ATOM 912 CG2 THR A 61 -7.862 2.696 -10.920 1.00 0.00 C ATOM 0 H THR A 61 -10.887 0.292 -10.190 1.00 0.00 H new ATOM 0 HA THR A 61 -8.838 1.531 -8.654 1.00 0.00 H new ATOM 0 HB THR A 61 -9.822 2.008 -11.490 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.046 0.194 -10.045 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.481 2.647 -11.940 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.185 3.714 -10.702 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.074 2.409 -10.224 1.00 0.00 H new ATOM 920 N ASN A 62 -11.502 3.241 -9.010 1.00 0.00 N ATOM 921 CA ASN A 62 -12.160 4.484 -8.644 1.00 0.00 C ATOM 922 C ASN A 62 -11.853 4.807 -7.181 1.00 0.00 C ATOM 923 O ASN A 62 -12.067 5.931 -6.731 1.00 0.00 O ATOM 924 CB ASN A 62 -13.678 4.368 -8.795 1.00 0.00 C ATOM 925 CG ASN A 62 -14.184 3.034 -8.242 1.00 0.00 C ATOM 926 OD1 ASN A 62 -13.629 1.977 -8.496 1.00 0.00 O ATOM 927 ND2 ASN A 62 -15.265 3.141 -7.475 1.00 0.00 N ATOM 0 H ASN A 62 -12.132 2.498 -9.312 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.791 5.269 -9.304 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.163 5.191 -8.270 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.950 4.456 -9.847 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.680 2.307 -7.059 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.680 4.057 -7.303 1.00 0.00 H new ATOM 934 N THR A 63 -11.356 3.800 -6.478 1.00 0.00 N ATOM 935 CA THR A 63 -11.017 3.962 -5.074 1.00 0.00 C ATOM 936 C THR A 63 -9.501 3.890 -4.879 1.00 0.00 C ATOM 937 O THR A 63 -9.026 3.531 -3.803 1.00 0.00 O ATOM 938 CB THR A 63 -11.783 2.905 -4.277 1.00 0.00 C ATOM 939 OG1 THR A 63 -11.168 1.675 -4.652 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.232 2.755 -4.745 1.00 0.00 C ATOM 0 H THR A 63 -11.180 2.869 -6.854 1.00 0.00 H new ATOM 0 HA THR A 63 -11.314 4.944 -4.707 1.00 0.00 H new ATOM 0 HB THR A 63 -11.769 3.167 -3.219 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.502 1.396 -5.530 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.731 1.992 -4.147 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.752 3.706 -4.628 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.247 2.460 -5.794 1.00 0.00 H new ATOM 948 N ARG A 64 -8.784 4.237 -5.938 1.00 0.00 N ATOM 949 CA ARG A 64 -7.331 4.216 -5.897 1.00 0.00 C ATOM 950 C ARG A 64 -6.793 5.581 -5.462 1.00 0.00 C ATOM 951 O ARG A 64 -7.245 6.615 -5.950 1.00 0.00 O ATOM 952 CB ARG A 64 -6.747 3.858 -7.265 1.00 0.00 C ATOM 953 CG ARG A 64 -5.229 4.050 -7.279 1.00 0.00 C ATOM 954 CD ARG A 64 -4.511 2.721 -7.526 1.00 0.00 C ATOM 955 NE ARG A 64 -3.437 2.904 -8.527 1.00 0.00 N ATOM 956 CZ ARG A 64 -2.368 2.103 -8.638 1.00 0.00 C ATOM 957 NH1 ARG A 64 -2.225 1.060 -7.809 1.00 0.00 N ATOM 958 NH2 ARG A 64 -1.443 2.346 -9.576 1.00 0.00 N ATOM 0 H ARG A 64 -9.182 4.534 -6.829 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.030 3.456 -5.176 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.989 2.823 -7.508 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.203 4.481 -8.034 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.956 4.765 -8.055 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.903 4.472 -6.328 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.090 2.347 -6.593 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.223 1.974 -7.877 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.515 3.689 -9.173 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.929 0.876 -7.094 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.412 0.450 -7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.552 3.141 -10.206 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.630 1.736 -9.660 1.00 0.00 H new ATOM 972 N VAL A 65 -5.835 5.539 -4.547 1.00 0.00 N ATOM 973 CA VAL A 65 -5.230 6.759 -4.041 1.00 0.00 C ATOM 974 C VAL A 65 -3.719 6.712 -4.280 1.00 0.00 C ATOM 975 O VAL A 65 -3.151 5.638 -4.469 1.00 0.00 O ATOM 976 CB VAL A 65 -5.597 6.953 -2.568 1.00 0.00 C ATOM 977 CG1 VAL A 65 -4.887 5.923 -1.687 1.00 0.00 C ATOM 978 CG2 VAL A 65 -5.283 8.378 -2.108 1.00 0.00 C ATOM 0 H VAL A 65 -5.463 4.679 -4.143 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.616 7.627 -4.576 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.671 6.798 -2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.165 6.082 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.182 4.919 -1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.808 6.033 -1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.553 8.489 -1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.218 8.574 -2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.854 9.088 -2.707 1.00 0.00 H new ATOM 988 N THR A 66 -3.113 7.889 -4.262 1.00 0.00 N ATOM 989 CA THR A 66 -1.679 7.996 -4.475 1.00 0.00 C ATOM 990 C THR A 66 -1.023 8.752 -3.318 1.00 0.00 C ATOM 991 O THR A 66 -1.239 9.952 -3.155 1.00 0.00 O ATOM 992 CB THR A 66 -1.450 8.653 -5.837 1.00 0.00 C ATOM 993 OG1 THR A 66 -2.126 7.796 -6.754 1.00 0.00 O ATOM 994 CG2 THR A 66 0.013 8.590 -6.279 1.00 0.00 C ATOM 0 H THR A 66 -3.588 8.778 -4.103 1.00 0.00 H new ATOM 0 HA THR A 66 -1.207 7.013 -4.489 1.00 0.00 H new ATOM 0 HB THR A 66 -1.773 9.693 -5.797 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.030 8.149 -7.663 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.120 9.070 -7.252 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.636 9.106 -5.549 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.326 7.549 -6.352 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.236 8.019 -2.544 1.00 0.00 N ATOM 1003 CA HIS A 67 0.452 8.605 -1.407 1.00 0.00 C ATOM 1004 C HIS A 67 1.961 8.403 -1.560 1.00 0.00 C ATOM 1005 O HIS A 67 2.401 7.488 -2.255 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.091 8.042 -0.093 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.147 8.905 0.556 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -2.259 8.568 1.270 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 -1.120 10.288 0.505 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 -2.877 9.684 1.636 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 -2.173 10.751 1.162 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.060 7.024 -2.682 1.00 0.00 H new ATOM 0 HA HIS A 67 0.265 9.678 -1.379 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.509 7.053 -0.279 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.737 7.913 0.604 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.564 7.619 1.486 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.368 10.888 0.013 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.788 9.738 2.214 1.00 0.00 H new ATOM 1019 N TYR A 68 2.713 9.271 -0.899 1.00 0.00 N ATOM 1020 CA TYR A 68 4.163 9.198 -0.953 1.00 0.00 C ATOM 1021 C TYR A 68 4.767 9.255 0.451 1.00 0.00 C ATOM 1022 O TYR A 68 4.425 10.131 1.244 1.00 0.00 O ATOM 1023 CB TYR A 68 4.617 10.429 -1.741 1.00 0.00 C ATOM 1024 CG TYR A 68 4.117 10.463 -3.186 1.00 0.00 C ATOM 1025 CD1 TYR A 68 4.625 9.575 -4.113 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.157 11.380 -3.562 1.00 0.00 C ATOM 1027 CE1 TYR A 68 4.154 9.607 -5.473 1.00 0.00 C ATOM 1028 CE2 TYR A 68 2.686 11.412 -4.923 1.00 0.00 C ATOM 1029 CZ TYR A 68 3.207 10.524 -5.811 1.00 0.00 C ATOM 1030 OH TYR A 68 2.762 10.554 -7.096 1.00 0.00 O ATOM 0 H TYR A 68 2.345 10.028 -0.323 1.00 0.00 H new ATOM 0 HA TYR A 68 4.484 8.264 -1.414 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.270 11.325 -1.226 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.706 10.464 -1.744 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.375 8.857 -3.818 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.759 12.074 -2.836 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.543 8.919 -6.209 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.936 12.125 -5.231 1.00 0.00 H new ATOM 0 HH TYR A 68 2.087 11.258 -7.192 1.00 0.00 H new ATOM 1040 N LEU A 69 5.656 8.308 0.717 1.00 0.00 N ATOM 1041 CA LEU A 69 6.311 8.239 2.012 1.00 0.00 C ATOM 1042 C LEU A 69 7.828 8.234 1.812 1.00 0.00 C ATOM 1043 O LEU A 69 8.313 7.918 0.726 1.00 0.00 O ATOM 1044 CB LEU A 69 5.792 7.042 2.812 1.00 0.00 C ATOM 1045 CG LEU A 69 4.291 6.764 2.705 1.00 0.00 C ATOM 1046 CD1 LEU A 69 3.980 5.302 3.031 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.491 7.730 3.581 1.00 0.00 C ATOM 0 H LEU A 69 5.938 7.583 0.057 1.00 0.00 H new ATOM 0 HA LEU A 69 6.071 9.120 2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.330 6.152 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.039 7.198 3.862 1.00 0.00 H new ATOM 0 HG LEU A 69 3.984 6.936 1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.907 5.131 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.506 4.653 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.305 5.079 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.427 7.511 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.794 7.614 4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.680 8.754 3.260 1.00 0.00 H new ATOM 1059 N PRO A 70 8.553 8.596 2.904 1.00 0.00 N ATOM 1060 CA PRO A 70 10.005 8.636 2.858 1.00 0.00 C ATOM 1061 C PRO A 70 10.593 7.224 2.893 1.00 0.00 C ATOM 1062 O PRO A 70 9.857 6.243 2.988 1.00 0.00 O ATOM 1063 CB PRO A 70 10.413 9.478 4.056 1.00 0.00 C ATOM 1064 CG PRO A 70 9.211 9.491 4.986 1.00 0.00 C ATOM 1065 CD PRO A 70 8.012 8.975 4.206 1.00 0.00 C ATOM 0 HA PRO A 70 10.385 9.071 1.934 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.286 9.054 4.552 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.681 10.489 3.750 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.397 8.865 5.859 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.023 10.500 5.352 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.551 8.124 4.706 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.244 9.742 4.108 1.00 0.00 H new ATOM 1073 N ASN A 71 11.915 7.166 2.813 1.00 0.00 N ATOM 1074 CA ASN A 71 12.610 5.890 2.834 1.00 0.00 C ATOM 1075 C ASN A 71 12.858 5.473 4.285 1.00 0.00 C ATOM 1076 O ASN A 71 13.704 4.621 4.553 1.00 0.00 O ATOM 1077 CB ASN A 71 13.966 5.991 2.133 1.00 0.00 C ATOM 1078 CG ASN A 71 14.860 7.031 2.813 1.00 0.00 C ATOM 1079 OD1 ASN A 71 14.397 7.980 3.424 1.00 0.00 O ATOM 1080 ND2 ASN A 71 16.162 6.799 2.673 1.00 0.00 N ATOM 0 H ASN A 71 12.522 7.982 2.734 1.00 0.00 H new ATOM 0 HA ASN A 71 11.989 5.159 2.316 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.459 5.019 2.145 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.819 6.261 1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.841 7.435 3.090 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.481 5.985 2.148 1.00 0.00 H new ATOM 1087 N VAL A 72 12.106 6.093 5.182 1.00 0.00 N ATOM 1088 CA VAL A 72 12.234 5.797 6.599 1.00 0.00 C ATOM 1089 C VAL A 72 10.951 5.124 7.092 1.00 0.00 C ATOM 1090 O VAL A 72 10.958 4.440 8.115 1.00 0.00 O ATOM 1091 CB VAL A 72 12.575 7.072 7.371 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.801 7.765 6.772 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.377 8.022 7.419 1.00 0.00 C ATOM 0 H VAL A 72 11.406 6.799 4.955 1.00 0.00 H new ATOM 0 HA VAL A 72 13.054 5.100 6.772 1.00 0.00 H new ATOM 0 HB VAL A 72 12.818 6.788 8.395 1.00 0.00 H new ATOM 0 HG11 VAL A 72 14.022 8.669 7.340 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.657 7.091 6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.599 8.029 5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.647 8.920 7.974 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.088 8.295 6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.541 7.528 7.913 1.00 0.00 H new ATOM 1103 N THR A 73 9.880 5.342 6.343 1.00 0.00 N ATOM 1104 CA THR A 73 8.593 4.766 6.691 1.00 0.00 C ATOM 1105 C THR A 73 8.273 3.583 5.776 1.00 0.00 C ATOM 1106 O THR A 73 8.605 3.601 4.592 1.00 0.00 O ATOM 1107 CB THR A 73 7.545 5.880 6.633 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.752 6.614 7.836 1.00 0.00 O ATOM 1109 CG2 THR A 73 6.117 5.347 6.762 1.00 0.00 C ATOM 0 H THR A 73 9.878 5.910 5.496 1.00 0.00 H new ATOM 0 HA THR A 73 8.602 4.361 7.703 1.00 0.00 H new ATOM 0 HB THR A 73 7.645 6.425 5.694 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.115 7.357 7.879 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.413 6.178 6.715 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.913 4.652 5.948 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.006 4.831 7.716 1.00 0.00 H new ATOM 1117 N LEU A 74 7.632 2.581 6.360 1.00 0.00 N ATOM 1118 CA LEU A 74 7.263 1.391 5.611 1.00 0.00 C ATOM 1119 C LEU A 74 5.840 0.976 5.990 1.00 0.00 C ATOM 1120 O LEU A 74 5.399 -0.122 5.654 1.00 0.00 O ATOM 1121 CB LEU A 74 8.301 0.286 5.818 1.00 0.00 C ATOM 1122 CG LEU A 74 9.759 0.742 5.907 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.533 -0.092 6.929 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.424 0.725 4.529 1.00 0.00 C ATOM 0 H LEU A 74 7.359 2.568 7.343 1.00 0.00 H new ATOM 0 HA LEU A 74 7.260 1.599 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.053 -0.251 6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.213 -0.426 4.997 1.00 0.00 H new ATOM 0 HG LEU A 74 9.774 1.774 6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.566 0.253 6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.073 0.017 7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.513 -1.141 6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.459 1.053 4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.399 -0.287 4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.888 1.397 3.858 1.00 0.00 H new ATOM 1136 N GLU A 75 5.160 1.877 6.684 1.00 0.00 N ATOM 1137 CA GLU A 75 3.796 1.619 7.111 1.00 0.00 C ATOM 1138 C GLU A 75 2.969 2.905 7.055 1.00 0.00 C ATOM 1139 O GLU A 75 3.507 4.000 7.210 1.00 0.00 O ATOM 1140 CB GLU A 75 3.767 1.009 8.514 1.00 0.00 C ATOM 1141 CG GLU A 75 4.232 2.022 9.562 1.00 0.00 C ATOM 1142 CD GLU A 75 5.644 1.696 10.052 1.00 0.00 C ATOM 1143 OE1 GLU A 75 5.791 0.629 10.688 1.00 0.00 O ATOM 1144 OE2 GLU A 75 6.544 2.519 9.780 1.00 0.00 O ATOM 0 H GLU A 75 5.529 2.787 6.961 1.00 0.00 H new ATOM 0 HA GLU A 75 3.353 0.896 6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.756 0.676 8.749 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.408 0.128 8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.214 3.025 9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.541 2.021 10.405 1.00 0.00 H new ATOM 1151 N TYR A 76 1.675 2.730 6.834 1.00 0.00 N ATOM 1152 CA TYR A 76 0.768 3.863 6.756 1.00 0.00 C ATOM 1153 C TYR A 76 -0.671 3.436 7.052 1.00 0.00 C ATOM 1154 O TYR A 76 -1.031 2.276 6.854 1.00 0.00 O ATOM 1155 CB TYR A 76 0.851 4.370 5.314 1.00 0.00 C ATOM 1156 CG TYR A 76 -0.043 5.578 5.028 1.00 0.00 C ATOM 1157 CD1 TYR A 76 -1.351 5.391 4.630 1.00 0.00 C ATOM 1158 CD2 TYR A 76 0.460 6.856 5.167 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -2.192 6.528 4.361 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -0.381 7.994 4.897 1.00 0.00 C ATOM 1161 CZ TYR A 76 -1.665 7.774 4.507 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.459 8.848 4.253 1.00 0.00 O ATOM 0 H TYR A 76 1.232 1.820 6.706 1.00 0.00 H new ATOM 0 HA TYR A 76 1.043 4.626 7.485 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.885 4.635 5.092 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.577 3.560 4.638 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.744 4.391 4.520 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.484 7.003 5.478 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.218 6.395 4.050 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.000 8.999 5.002 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.350 8.540 3.985 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.454 4.395 7.522 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.845 4.133 7.848 1.00 0.00 C ATOM 1174 C ARG A 77 -3.743 4.477 6.657 1.00 0.00 C ATOM 1175 O ARG A 77 -3.704 5.596 6.149 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.289 4.948 9.064 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.712 4.573 9.485 1.00 0.00 C ATOM 1178 CD ARG A 77 -4.772 4.240 10.977 1.00 0.00 C ATOM 1179 NE ARG A 77 -4.105 5.303 11.761 1.00 0.00 N ATOM 1180 CZ ARG A 77 -4.635 6.513 11.989 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -5.842 6.820 11.494 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -3.958 7.416 12.712 1.00 0.00 N ATOM 0 H ARG A 77 -1.151 5.355 7.685 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.936 3.072 8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.603 4.774 9.893 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.243 6.012 8.830 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.390 5.398 9.265 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.053 3.717 8.903 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.810 4.140 11.294 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.288 3.281 11.164 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.185 5.103 12.152 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.357 6.133 10.944 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.245 7.741 11.668 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.039 7.183 13.089 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.361 8.337 12.885 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.531 3.494 6.248 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.437 3.679 5.127 1.00 0.00 C ATOM 1198 C VAL A 78 -6.829 4.030 5.654 1.00 0.00 C ATOM 1199 O VAL A 78 -7.228 3.566 6.722 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.431 2.433 4.238 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -6.429 2.576 3.087 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -4.024 2.142 3.712 1.00 0.00 C ATOM 0 H VAL A 78 -4.561 2.567 6.673 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.107 4.509 4.503 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.743 1.585 4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.405 1.677 2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.432 2.713 3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.162 3.440 2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.047 1.252 3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.672 2.991 3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.349 1.975 4.551 1.00 0.00 H new ATOM 1212 N THR A 79 -7.531 4.847 4.883 1.00 0.00 N ATOM 1213 CA THR A 79 -8.871 5.266 5.259 1.00 0.00 C ATOM 1214 C THR A 79 -9.688 5.620 4.015 1.00 0.00 C ATOM 1215 O THR A 79 -9.138 6.092 3.021 1.00 0.00 O ATOM 1216 CB THR A 79 -8.743 6.423 6.252 1.00 0.00 C ATOM 1217 OG1 THR A 79 -8.024 7.420 5.532 1.00 0.00 O ATOM 1218 CG2 THR A 79 -7.829 6.084 7.431 1.00 0.00 C ATOM 0 H THR A 79 -7.197 5.230 3.999 1.00 0.00 H new ATOM 0 HA THR A 79 -9.416 4.458 5.748 1.00 0.00 H new ATOM 0 HB THR A 79 -9.731 6.693 6.624 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.898 8.208 6.101 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.773 6.939 8.105 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.231 5.224 7.967 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.831 5.847 7.062 1.00 0.00 H new ATOM 1226 N GLY A 80 -10.987 5.380 4.111 1.00 0.00 N ATOM 1227 CA GLY A 80 -11.886 5.668 3.006 1.00 0.00 C ATOM 1228 C GLY A 80 -12.231 4.393 2.234 1.00 0.00 C ATOM 1229 O GLY A 80 -12.553 4.449 1.048 1.00 0.00 O ATOM 0 H GLY A 80 -11.439 4.989 4.937 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.799 6.126 3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.422 6.390 2.334 1.00 0.00 H new ATOM 1233 N LEU A 81 -12.152 3.273 2.938 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.453 1.987 2.333 1.00 0.00 C ATOM 1235 C LEU A 81 -13.942 1.681 2.508 1.00 0.00 C ATOM 1236 O LEU A 81 -14.756 2.594 2.630 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.532 0.902 2.896 1.00 0.00 C ATOM 1238 CG LEU A 81 -10.104 1.340 3.227 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -9.529 0.512 4.378 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.213 1.290 1.984 1.00 0.00 C ATOM 0 H LEU A 81 -11.884 3.230 3.921 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.257 2.015 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.987 0.501 3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.483 0.085 2.176 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.134 2.377 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.513 0.844 4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.149 0.643 5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.515 -0.541 4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.204 1.606 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.185 0.271 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.615 1.957 1.221 1.00 0.00 H new ATOM 1252 N THR A 82 -14.252 0.393 2.515 1.00 0.00 N ATOM 1253 CA THR A 82 -15.628 -0.045 2.673 1.00 0.00 C ATOM 1254 C THR A 82 -15.706 -1.220 3.650 1.00 0.00 C ATOM 1255 O THR A 82 -14.837 -2.091 3.649 1.00 0.00 O ATOM 1256 CB THR A 82 -16.183 -0.371 1.285 1.00 0.00 C ATOM 1257 OG1 THR A 82 -15.930 0.807 0.524 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.708 -0.498 1.278 1.00 0.00 C ATOM 0 H THR A 82 -13.573 -0.362 2.414 1.00 0.00 H new ATOM 0 HA THR A 82 -16.245 0.741 3.109 1.00 0.00 H new ATOM 0 HB THR A 82 -15.740 -1.300 0.927 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.064 0.725 0.073 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.049 -0.730 0.269 1.00 0.00 H new ATOM 0 HG22 THR A 82 -18.010 -1.297 1.956 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.153 0.442 1.604 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.754 -1.206 4.460 1.00 0.00 N ATOM 1267 CA ALA A 83 -16.956 -2.260 5.440 1.00 0.00 C ATOM 1268 C ALA A 83 -17.130 -3.596 4.716 1.00 0.00 C ATOM 1269 O ALA A 83 -17.745 -3.655 3.653 1.00 0.00 O ATOM 1270 CB ALA A 83 -18.158 -1.913 6.322 1.00 0.00 C ATOM 0 H ALA A 83 -17.472 -0.482 4.458 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.088 -2.350 6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.310 -2.703 7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.972 -0.970 6.836 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.049 -1.818 5.702 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.577 -4.637 5.322 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.664 -5.969 4.749 1.00 0.00 C ATOM 1278 C LEU A 84 -16.519 -5.876 3.229 1.00 0.00 C ATOM 1279 O LEU A 84 -17.431 -6.248 2.491 1.00 0.00 O ATOM 1280 CB LEU A 84 -17.948 -6.666 5.203 1.00 0.00 C ATOM 1281 CG LEU A 84 -18.160 -6.763 6.715 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -19.288 -7.740 7.049 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -16.856 -7.126 7.429 1.00 0.00 C ATOM 0 H LEU A 84 -16.067 -4.584 6.204 1.00 0.00 H new ATOM 0 HA LEU A 84 -15.846 -6.593 5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.797 -6.137 4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -17.956 -7.675 4.790 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.465 -5.783 7.081 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -19.418 -7.790 8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.214 -7.398 6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.037 -8.730 6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.034 -7.189 8.503 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.497 -8.088 7.064 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.107 -6.360 7.230 1.00 0.00 H new ATOM 1295 N THR A 85 -15.367 -5.377 2.805 1.00 0.00 N ATOM 1296 CA THR A 85 -15.092 -5.230 1.386 1.00 0.00 C ATOM 1297 C THR A 85 -13.628 -5.560 1.090 1.00 0.00 C ATOM 1298 O THR A 85 -12.741 -5.219 1.871 1.00 0.00 O ATOM 1299 CB THR A 85 -15.492 -3.813 0.971 1.00 0.00 C ATOM 1300 OG1 THR A 85 -16.913 -3.865 0.881 1.00 0.00 O ATOM 1301 CG2 THR A 85 -15.041 -3.470 -0.450 1.00 0.00 C ATOM 0 H THR A 85 -14.613 -5.069 3.420 1.00 0.00 H new ATOM 0 HA THR A 85 -15.677 -5.934 0.794 1.00 0.00 H new ATOM 0 HB THR A 85 -15.064 -3.096 1.671 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.302 -3.754 1.774 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.350 -2.454 -0.694 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.956 -3.545 -0.515 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.496 -4.167 -1.154 1.00 0.00 H new ATOM 1309 N THR A 86 -13.420 -6.220 -0.040 1.00 0.00 N ATOM 1310 CA THR A 86 -12.078 -6.599 -0.449 1.00 0.00 C ATOM 1311 C THR A 86 -11.344 -5.399 -1.049 1.00 0.00 C ATOM 1312 O THR A 86 -11.904 -4.668 -1.864 1.00 0.00 O ATOM 1313 CB THR A 86 -12.194 -7.783 -1.411 1.00 0.00 C ATOM 1314 OG1 THR A 86 -12.786 -8.813 -0.624 1.00 0.00 O ATOM 1315 CG2 THR A 86 -10.830 -8.353 -1.805 1.00 0.00 C ATOM 0 H THR A 86 -14.158 -6.502 -0.685 1.00 0.00 H new ATOM 0 HA THR A 86 -11.478 -6.913 0.405 1.00 0.00 H new ATOM 0 HB THR A 86 -12.730 -7.471 -2.307 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.899 -9.618 -1.171 1.00 0.00 H new ATOM 0 HG21 THR A 86 -10.969 -9.191 -2.488 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.240 -7.579 -2.296 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.307 -8.696 -0.912 1.00 0.00 H new ATOM 1323 N TYR A 87 -10.100 -5.233 -0.623 1.00 0.00 N ATOM 1324 CA TYR A 87 -9.283 -4.133 -1.108 1.00 0.00 C ATOM 1325 C TYR A 87 -7.861 -4.603 -1.418 1.00 0.00 C ATOM 1326 O TYR A 87 -7.446 -5.674 -0.977 1.00 0.00 O ATOM 1327 CB TYR A 87 -9.234 -3.111 0.029 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.412 -2.135 0.041 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -11.592 -2.486 0.665 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -10.295 -0.905 -0.573 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -12.701 -1.567 0.676 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -11.404 0.013 -0.563 1.00 0.00 C ATOM 1333 CZ TYR A 87 -12.553 -0.363 0.062 1.00 0.00 C ATOM 1334 OH TYR A 87 -13.600 0.504 0.072 1.00 0.00 O ATOM 0 H TYR A 87 -9.638 -5.842 0.053 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.702 -3.718 -2.025 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.206 -3.642 0.980 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.306 -2.544 -0.046 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -11.684 -3.449 1.145 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -9.371 -0.631 -1.061 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -13.630 -1.829 1.161 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -11.326 0.978 -1.041 1.00 0.00 H new ATOM 0 HH TYR A 87 -13.573 1.059 -0.735 1.00 0.00 H new ATOM 1344 N THR A 88 -7.151 -3.778 -2.175 1.00 0.00 N ATOM 1345 CA THR A 88 -5.784 -4.096 -2.549 1.00 0.00 C ATOM 1346 C THR A 88 -4.860 -2.914 -2.246 1.00 0.00 C ATOM 1347 O THR A 88 -5.099 -1.800 -2.709 1.00 0.00 O ATOM 1348 CB THR A 88 -5.780 -4.507 -4.023 1.00 0.00 C ATOM 1349 OG1 THR A 88 -5.988 -5.917 -3.990 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.404 -4.348 -4.672 1.00 0.00 C ATOM 0 H THR A 88 -7.497 -2.890 -2.539 1.00 0.00 H new ATOM 0 HA THR A 88 -5.398 -4.930 -1.963 1.00 0.00 H new ATOM 0 HB THR A 88 -6.509 -3.908 -4.569 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.001 -6.267 -4.905 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.457 -4.653 -5.717 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.093 -3.305 -4.614 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.680 -4.972 -4.148 1.00 0.00 H new ATOM 1358 N ILE A 89 -3.824 -3.198 -1.471 1.00 0.00 N ATOM 1359 CA ILE A 89 -2.863 -2.173 -1.100 1.00 0.00 C ATOM 1360 C ILE A 89 -1.543 -2.431 -1.829 1.00 0.00 C ATOM 1361 O ILE A 89 -0.895 -3.452 -1.604 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.722 -2.096 0.421 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.082 -2.236 1.106 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -1.998 -0.815 0.840 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.139 -1.378 0.408 1.00 0.00 C ATOM 0 H ILE A 89 -3.629 -4.124 -1.089 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.214 -1.190 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.109 -2.935 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.392 -3.281 1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.999 -1.938 2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.911 -0.785 1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.003 -0.797 0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.564 0.051 0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.097 -1.496 0.915 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.838 -0.331 0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.237 -1.695 -0.630 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.183 -1.487 -2.686 1.00 0.00 N ATOM 1378 CA GLU A 90 0.049 -1.599 -3.449 1.00 0.00 C ATOM 1379 C GLU A 90 1.151 -0.755 -2.805 1.00 0.00 C ATOM 1380 O GLU A 90 1.003 0.458 -2.660 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.170 -1.194 -4.908 1.00 0.00 C ATOM 1382 CG GLU A 90 -0.999 -2.245 -5.649 1.00 0.00 C ATOM 1383 CD GLU A 90 -1.505 -1.700 -6.987 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -0.745 -0.928 -7.609 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -2.641 -2.069 -7.357 1.00 0.00 O ATOM 0 H GLU A 90 -1.723 -0.641 -2.869 1.00 0.00 H new ATOM 0 HA GLU A 90 0.365 -2.642 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.677 -0.230 -4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.793 -1.069 -5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.395 -3.136 -5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.845 -2.548 -5.032 1.00 0.00 H new ATOM 1392 N VAL A 91 2.230 -1.429 -2.436 1.00 0.00 N ATOM 1393 CA VAL A 91 3.356 -0.755 -1.812 1.00 0.00 C ATOM 1394 C VAL A 91 4.584 -0.877 -2.717 1.00 0.00 C ATOM 1395 O VAL A 91 5.063 -1.981 -2.974 1.00 0.00 O ATOM 1396 CB VAL A 91 3.589 -1.318 -0.408 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.854 -0.725 0.217 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.372 -1.081 0.487 1.00 0.00 C ATOM 0 H VAL A 91 2.349 -2.435 -2.557 1.00 0.00 H new ATOM 0 HA VAL A 91 3.146 0.308 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 91 3.733 -2.395 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.997 -1.141 1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.716 -0.969 -0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.752 0.358 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.564 -1.491 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.182 -0.011 0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.501 -1.572 0.054 1.00 0.00 H new ATOM 1408 N ALA A 92 5.058 0.272 -3.175 1.00 0.00 N ATOM 1409 CA ALA A 92 6.220 0.308 -4.046 1.00 0.00 C ATOM 1410 C ALA A 92 7.313 1.159 -3.396 1.00 0.00 C ATOM 1411 O ALA A 92 7.020 2.039 -2.588 1.00 0.00 O ATOM 1412 CB ALA A 92 5.811 0.835 -5.423 1.00 0.00 C ATOM 0 H ALA A 92 4.658 1.185 -2.959 1.00 0.00 H new ATOM 0 HA ALA A 92 6.624 -0.694 -4.188 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.683 0.862 -6.076 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.055 0.179 -5.854 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.403 1.841 -5.321 1.00 0.00 H new ATOM 1418 N ALA A 93 8.549 0.868 -3.774 1.00 0.00 N ATOM 1419 CA ALA A 93 9.686 1.596 -3.239 1.00 0.00 C ATOM 1420 C ALA A 93 10.221 2.554 -4.305 1.00 0.00 C ATOM 1421 O ALA A 93 10.433 2.158 -5.450 1.00 0.00 O ATOM 1422 CB ALA A 93 10.748 0.604 -2.760 1.00 0.00 C ATOM 0 H ALA A 93 8.788 0.138 -4.445 1.00 0.00 H new ATOM 0 HA ALA A 93 9.388 2.195 -2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.601 1.150 -2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.326 -0.033 -1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.074 -0.013 -3.597 1.00 0.00 H new ATOM 1428 N MET A 94 10.425 3.796 -3.891 1.00 0.00 N ATOM 1429 CA MET A 94 10.931 4.813 -4.796 1.00 0.00 C ATOM 1430 C MET A 94 12.420 5.072 -4.554 1.00 0.00 C ATOM 1431 O MET A 94 12.867 5.116 -3.409 1.00 0.00 O ATOM 1432 CB MET A 94 10.148 6.112 -4.595 1.00 0.00 C ATOM 1433 CG MET A 94 8.640 5.850 -4.606 1.00 0.00 C ATOM 1434 SD MET A 94 7.782 7.194 -3.803 1.00 0.00 S ATOM 1435 CE MET A 94 7.721 8.369 -5.146 1.00 0.00 C ATOM 0 H MET A 94 10.249 4.121 -2.940 1.00 0.00 H new ATOM 0 HA MET A 94 10.805 4.457 -5.818 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.434 6.571 -3.649 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.404 6.821 -5.383 1.00 0.00 H new ATOM 0 HG2 MET A 94 8.288 5.744 -5.632 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.422 4.912 -4.096 1.00 0.00 H new ATOM 0 HE1 MET A 94 7.463 9.354 -4.756 1.00 0.00 H new ATOM 0 HE2 MET A 94 8.695 8.415 -5.634 1.00 0.00 H new ATOM 0 HE3 MET A 94 6.968 8.056 -5.869 1.00 0.00 H new ATOM 1445 N THR A 95 13.145 5.236 -5.650 1.00 0.00 N ATOM 1446 CA THR A 95 14.574 5.489 -5.570 1.00 0.00 C ATOM 1447 C THR A 95 14.915 6.831 -6.220 1.00 0.00 C ATOM 1448 O THR A 95 14.025 7.635 -6.497 1.00 0.00 O ATOM 1449 CB THR A 95 15.300 4.303 -6.209 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.470 3.938 -7.308 1.00 0.00 O ATOM 1451 CG2 THR A 95 15.298 3.063 -5.313 1.00 0.00 C ATOM 0 H THR A 95 12.770 5.199 -6.598 1.00 0.00 H new ATOM 0 HA THR A 95 14.904 5.572 -4.534 1.00 0.00 H new ATOM 0 HB THR A 95 16.328 4.586 -6.434 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.022 3.558 -8.023 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.826 2.251 -5.814 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.797 3.294 -4.372 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.270 2.759 -5.114 1.00 0.00 H new ATOM 1459 N SER A 96 16.205 7.033 -6.444 1.00 0.00 N ATOM 1460 CA SER A 96 16.674 8.265 -7.055 1.00 0.00 C ATOM 1461 C SER A 96 16.381 8.249 -8.557 1.00 0.00 C ATOM 1462 O SER A 96 16.649 9.225 -9.256 1.00 0.00 O ATOM 1463 CB SER A 96 18.171 8.467 -6.809 1.00 0.00 C ATOM 1464 OG SER A 96 18.454 8.752 -5.442 1.00 0.00 O ATOM 0 H SER A 96 16.940 6.364 -6.213 1.00 0.00 H new ATOM 0 HA SER A 96 16.142 9.098 -6.596 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.712 7.571 -7.112 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.534 9.284 -7.432 1.00 0.00 H new ATOM 0 HG SER A 96 19.420 8.873 -5.326 1.00 0.00 H new ATOM 1470 N LYS A 97 15.834 7.130 -9.008 1.00 0.00 N ATOM 1471 CA LYS A 97 15.501 6.973 -10.414 1.00 0.00 C ATOM 1472 C LYS A 97 13.989 7.124 -10.596 1.00 0.00 C ATOM 1473 O LYS A 97 13.536 7.822 -11.501 1.00 0.00 O ATOM 1474 CB LYS A 97 16.057 5.653 -10.953 1.00 0.00 C ATOM 1475 CG LYS A 97 14.967 4.850 -11.665 1.00 0.00 C ATOM 1476 CD LYS A 97 14.652 5.448 -13.037 1.00 0.00 C ATOM 1477 CE LYS A 97 15.773 5.150 -14.035 1.00 0.00 C ATOM 1478 NZ LYS A 97 15.638 6.004 -15.237 1.00 0.00 N ATOM 0 H LYS A 97 15.613 6.323 -8.425 1.00 0.00 H new ATOM 0 HA LYS A 97 15.973 7.756 -11.007 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.876 5.854 -11.644 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.469 5.066 -10.133 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.290 3.815 -11.781 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.064 4.836 -11.055 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.712 5.040 -13.408 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.518 6.526 -12.946 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.741 5.323 -13.566 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.742 4.099 -14.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.407 5.789 -15.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.722 5.819 -15.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.691 7.005 -14.959 1.00 0.00 H new ATOM 1492 N GLY A 98 13.251 6.458 -9.720 1.00 0.00 N ATOM 1493 CA GLY A 98 11.800 6.509 -9.772 1.00 0.00 C ATOM 1494 C GLY A 98 11.181 5.470 -8.836 1.00 0.00 C ATOM 1495 O GLY A 98 11.638 5.294 -7.707 1.00 0.00 O ATOM 0 H GLY A 98 13.631 5.880 -8.970 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.457 7.505 -9.493 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.463 6.331 -10.793 1.00 0.00 H new ATOM 1499 N GLN A 99 10.149 4.808 -9.338 1.00 0.00 N ATOM 1500 CA GLN A 99 9.462 3.790 -8.561 1.00 0.00 C ATOM 1501 C GLN A 99 9.695 2.407 -9.172 1.00 0.00 C ATOM 1502 O GLN A 99 9.780 2.270 -10.392 1.00 0.00 O ATOM 1503 CB GLN A 99 7.967 4.098 -8.454 1.00 0.00 C ATOM 1504 CG GLN A 99 7.247 3.035 -7.622 1.00 0.00 C ATOM 1505 CD GLN A 99 5.739 3.065 -7.881 1.00 0.00 C ATOM 1506 OE1 GLN A 99 4.995 3.822 -7.281 1.00 0.00 O ATOM 1507 NE2 GLN A 99 5.332 2.200 -8.806 1.00 0.00 N ATOM 0 H GLN A 99 9.772 4.957 -10.274 1.00 0.00 H new ATOM 0 HA GLN A 99 9.873 3.793 -7.552 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.826 5.078 -7.999 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.529 4.143 -9.451 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.642 2.049 -7.865 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.441 3.204 -6.563 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.008 1.594 -9.271 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.343 2.142 -9.051 1.00 0.00 H new ATOM 1516 N GLY A 100 9.792 1.417 -8.297 1.00 0.00 N ATOM 1517 CA GLY A 100 10.014 0.050 -8.736 1.00 0.00 C ATOM 1518 C GLY A 100 8.735 -0.781 -8.611 1.00 0.00 C ATOM 1519 O GLY A 100 7.633 -0.234 -8.613 1.00 0.00 O ATOM 0 H GLY A 100 9.721 1.534 -7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.354 0.048 -9.772 1.00 0.00 H new ATOM 0 HA3 GLY A 100 10.806 -0.403 -8.140 1.00 0.00 H new ATOM 1523 N GLN A 101 8.924 -2.088 -8.504 1.00 0.00 N ATOM 1524 CA GLN A 101 7.799 -2.999 -8.378 1.00 0.00 C ATOM 1525 C GLN A 101 6.876 -2.549 -7.243 1.00 0.00 C ATOM 1526 O GLN A 101 7.204 -1.624 -6.501 1.00 0.00 O ATOM 1527 CB GLN A 101 8.279 -4.435 -8.157 1.00 0.00 C ATOM 1528 CG GLN A 101 7.604 -5.395 -9.139 1.00 0.00 C ATOM 1529 CD GLN A 101 8.625 -6.347 -9.764 1.00 0.00 C ATOM 1530 OE1 GLN A 101 9.357 -7.048 -9.084 1.00 0.00 O ATOM 1531 NE2 GLN A 101 8.635 -6.333 -11.094 1.00 0.00 N ATOM 0 H GLN A 101 9.839 -2.538 -8.502 1.00 0.00 H new ATOM 0 HA GLN A 101 7.234 -2.979 -9.310 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.361 -4.484 -8.280 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.061 -4.742 -7.134 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.835 -5.969 -8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.104 -4.827 -9.923 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.996 -5.722 -11.602 1.00 0.00 H new ATOM 0 HE22 GLN A 101 9.282 -6.933 -11.605 1.00 0.00 H new ATOM 1540 N VAL A 102 5.740 -3.224 -7.144 1.00 0.00 N ATOM 1541 CA VAL A 102 4.768 -2.905 -6.113 1.00 0.00 C ATOM 1542 C VAL A 102 4.138 -4.199 -5.595 1.00 0.00 C ATOM 1543 O VAL A 102 3.797 -5.084 -6.378 1.00 0.00 O ATOM 1544 CB VAL A 102 3.737 -1.913 -6.655 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.615 -2.640 -7.400 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.173 -1.040 -5.532 1.00 0.00 C ATOM 0 H VAL A 102 5.471 -3.990 -7.761 1.00 0.00 H new ATOM 0 HA VAL A 102 5.254 -2.419 -5.267 1.00 0.00 H new ATOM 0 HB VAL A 102 4.243 -1.260 -7.366 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.896 -1.912 -7.775 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.036 -3.198 -8.236 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.113 -3.328 -6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.443 -0.344 -5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.691 -1.673 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.983 -0.481 -5.064 1.00 0.00 H new ATOM 1556 N SER A 103 4.002 -4.268 -4.279 1.00 0.00 N ATOM 1557 CA SER A 103 3.419 -5.439 -3.647 1.00 0.00 C ATOM 1558 C SER A 103 1.949 -5.176 -3.312 1.00 0.00 C ATOM 1559 O SER A 103 1.644 -4.488 -2.339 1.00 0.00 O ATOM 1560 CB SER A 103 4.190 -5.825 -2.383 1.00 0.00 C ATOM 1561 OG SER A 103 5.217 -6.776 -2.653 1.00 0.00 O ATOM 0 H SER A 103 4.286 -3.532 -3.633 1.00 0.00 H new ATOM 0 HA SER A 103 3.482 -6.272 -4.347 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.631 -4.932 -1.940 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.498 -6.237 -1.648 1.00 0.00 H new ATOM 0 HG SER A 103 5.687 -6.995 -1.821 1.00 0.00 H new ATOM 1567 N ALA A 104 1.078 -5.737 -4.137 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.353 -5.572 -3.941 1.00 0.00 C ATOM 1569 C ALA A 104 -0.907 -6.794 -3.205 1.00 0.00 C ATOM 1570 O ALA A 104 -0.852 -7.910 -3.720 1.00 0.00 O ATOM 1571 CB ALA A 104 -1.031 -5.348 -5.293 1.00 0.00 C ATOM 0 H ALA A 104 1.335 -6.307 -4.943 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.558 -4.696 -3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.104 -5.224 -5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.623 -4.452 -5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.850 -6.208 -5.938 1.00 0.00 H new ATOM 1577 N SER A 105 -1.428 -6.542 -2.014 1.00 0.00 N ATOM 1578 CA SER A 105 -1.992 -7.607 -1.203 1.00 0.00 C ATOM 1579 C SER A 105 -3.484 -7.359 -0.976 1.00 0.00 C ATOM 1580 O SER A 105 -3.880 -6.272 -0.557 1.00 0.00 O ATOM 1581 CB SER A 105 -1.263 -7.723 0.138 1.00 0.00 C ATOM 1582 OG SER A 105 -0.365 -8.829 0.163 1.00 0.00 O ATOM 0 H SER A 105 -1.472 -5.615 -1.591 1.00 0.00 H new ATOM 0 HA SER A 105 -1.865 -8.548 -1.738 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.711 -6.803 0.331 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.994 -7.831 0.940 1.00 0.00 H new ATOM 0 HG SER A 105 0.082 -8.868 1.034 1.00 0.00 H new ATOM 1588 N THR A 106 -4.273 -8.384 -1.263 1.00 0.00 N ATOM 1589 CA THR A 106 -5.713 -8.291 -1.095 1.00 0.00 C ATOM 1590 C THR A 106 -6.086 -8.401 0.385 1.00 0.00 C ATOM 1591 O THR A 106 -5.649 -9.323 1.071 1.00 0.00 O ATOM 1592 CB THR A 106 -6.361 -9.367 -1.967 1.00 0.00 C ATOM 1593 OG1 THR A 106 -5.418 -9.581 -3.014 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.611 -8.861 -2.691 1.00 0.00 C ATOM 0 H THR A 106 -3.942 -9.284 -1.611 1.00 0.00 H new ATOM 0 HA THR A 106 -6.087 -7.320 -1.420 1.00 0.00 H new ATOM 0 HB THR A 106 -6.622 -10.225 -1.348 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.758 -10.267 -3.626 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.031 -9.664 -3.296 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.349 -8.534 -1.958 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.344 -8.023 -3.335 1.00 0.00 H new ATOM 1602 N ILE A 107 -6.891 -7.448 0.832 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.328 -7.427 2.217 1.00 0.00 C ATOM 1604 C ILE A 107 -8.783 -6.960 2.281 1.00 0.00 C ATOM 1605 O ILE A 107 -9.148 -5.966 1.657 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.374 -6.585 3.067 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -6.923 -6.395 4.483 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -6.069 -5.249 2.387 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -6.813 -7.689 5.291 1.00 0.00 C ATOM 0 H ILE A 107 -7.252 -6.685 0.259 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.296 -8.430 2.642 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.431 -7.124 3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.373 -5.600 4.986 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -7.965 -6.080 4.434 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.389 -4.670 3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.605 -5.432 1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -6.996 -4.692 2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.210 -7.527 6.293 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.384 -8.476 4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -5.767 -7.988 5.359 1.00 0.00 H new ATOM 1621 N SER A 108 -9.576 -7.701 3.042 1.00 0.00 N ATOM 1622 CA SER A 108 -10.984 -7.376 3.196 1.00 0.00 C ATOM 1623 C SER A 108 -11.216 -6.678 4.538 1.00 0.00 C ATOM 1624 O SER A 108 -10.907 -7.233 5.591 1.00 0.00 O ATOM 1625 CB SER A 108 -11.853 -8.630 3.092 1.00 0.00 C ATOM 1626 OG SER A 108 -13.100 -8.473 3.765 1.00 0.00 O ATOM 0 H SER A 108 -9.270 -8.526 3.559 1.00 0.00 H new ATOM 0 HA SER A 108 -11.270 -6.701 2.389 1.00 0.00 H new ATOM 0 HB2 SER A 108 -12.034 -8.859 2.042 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.317 -9.479 3.516 1.00 0.00 H new ATOM 0 HG SER A 108 -13.626 -9.295 3.674 1.00 0.00 H new ATOM 1632 N SER A 109 -11.758 -5.472 4.455 1.00 0.00 N ATOM 1633 CA SER A 109 -12.035 -4.693 5.650 1.00 0.00 C ATOM 1634 C SER A 109 -12.498 -5.615 6.780 1.00 0.00 C ATOM 1635 O SER A 109 -13.162 -6.620 6.533 1.00 0.00 O ATOM 1636 CB SER A 109 -13.090 -3.619 5.375 1.00 0.00 C ATOM 1637 OG SER A 109 -14.222 -4.146 4.690 1.00 0.00 O ATOM 0 H SER A 109 -12.013 -5.015 3.579 1.00 0.00 H new ATOM 0 HA SER A 109 -11.116 -4.192 5.952 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.411 -3.176 6.318 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.647 -2.819 4.781 1.00 0.00 H new ATOM 0 HG SER A 109 -14.546 -3.489 4.039 1.00 0.00 H new ATOM 1643 N GLY A 110 -12.130 -5.238 7.996 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.500 -6.019 9.165 1.00 0.00 C ATOM 1645 C GLY A 110 -14.020 -6.070 9.332 1.00 0.00 C ATOM 1646 O GLY A 110 -14.674 -6.978 8.821 1.00 0.00 O ATOM 0 H GLY A 110 -11.580 -4.403 8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.107 -7.031 9.070 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.047 -5.584 10.056 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.538 -5.084 10.048 1.00 0.00 N ATOM 1651 CA VAL A 111 -15.969 -5.005 10.289 1.00 0.00 C ATOM 1652 C VAL A 111 -16.280 -3.732 11.078 1.00 0.00 C ATOM 1653 O VAL A 111 -15.507 -3.332 11.948 1.00 0.00 O ATOM 1654 CB VAL A 111 -16.452 -6.276 10.990 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -15.674 -6.518 12.285 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -17.957 -6.216 11.258 1.00 0.00 C ATOM 0 H VAL A 111 -13.993 -4.332 10.470 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.512 -4.943 9.346 1.00 0.00 H new ATOM 0 HB VAL A 111 -16.263 -7.118 10.324 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -16.037 -7.428 12.763 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.614 -6.626 12.058 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -15.816 -5.673 12.958 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -18.275 -7.132 11.757 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -18.179 -5.360 11.895 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -18.491 -6.114 10.313 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.442 -3.114 10.738 1.00 0.00 N ATOM 1667 CA PRO A 112 -17.865 -1.894 11.405 1.00 0.00 C ATOM 1668 C PRO A 112 -18.394 -2.193 12.810 1.00 0.00 C ATOM 1669 O PRO A 112 -19.283 -3.026 12.978 1.00 0.00 O ATOM 1670 CB PRO A 112 -18.917 -1.289 10.490 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.379 -2.418 9.583 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.382 -3.558 9.713 1.00 0.00 C ATOM 0 HA PRO A 112 -17.044 -1.194 11.562 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.750 -0.885 11.066 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.502 -0.466 9.909 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.378 -2.750 9.866 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.437 -2.078 8.549 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -18.876 -4.485 10.004 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.875 -3.750 8.767 1.00 0.00 H new ATOM 1680 N PRO A 113 -17.811 -1.476 13.808 1.00 0.00 N ATOM 1681 CA PRO A 113 -18.214 -1.656 15.192 1.00 0.00 C ATOM 1682 C PRO A 113 -19.567 -0.993 15.459 1.00 0.00 C ATOM 1683 O PRO A 113 -19.691 -0.172 16.368 1.00 0.00 O ATOM 1684 CB PRO A 113 -17.085 -1.054 16.012 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.316 -0.150 15.063 1.00 0.00 C ATOM 1686 CD PRO A 113 -16.756 -0.480 13.646 1.00 0.00 C ATOM 0 HA PRO A 113 -18.364 -2.703 15.454 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.475 -0.489 16.859 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.440 -1.833 16.419 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.513 0.898 15.290 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.243 -0.304 15.175 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -17.124 0.406 13.129 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -15.928 -0.873 13.056 1.00 0.00 H new