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 84:sc= 1.14 USER MOD Set 1.2: A 87 TYR OH : rot 30:sc= 0.028 USER MOD Set 2.1: A 67 HIS :FLIP no HE2:sc= -0.933 F(o=-4.8,f=-1.8) USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= -0.821 USER MOD Single : A 23 HIS : no HD1:sc=-0.00102 X(o=-0.001,f=-0.001) 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= -2.86! USER MOD Single : A 35 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.577) USER MOD Single : A 37 SER OG : rot 180:sc= -0.18 USER MOD Single : A 39 GLN : amide:sc= -0.0993 K(o=-0.099,f=-3.8!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 1.09 K(o=1.1,f=-0.52) USER MOD Single : A 49 THR OG1 : rot 177:sc= -3.08! USER MOD Single : A 51 TYR OH : rot 152:sc= -4.51! USER MOD Single : A 54 SER OG : rot 180:sc= -0.171 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.19 K(o=-1.2,f=-6.5!) USER MOD Single : A 61 THR OG1 : rot -22:sc= 0.935 USER MOD Single : A 62 ASN : amide:sc= -0.0369 K(o=-0.037,f=-1.2) USER MOD Single : A 63 THR OG1 : rot -75:sc= 0.516 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= 0.346 K(o=0.35,f=-6!) 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 81:sc= 0.181 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0149 USER MOD Single : A 94 MET CE :methyl -163:sc= -1.92 (180deg=-2.52!) USER MOD Single : A 95 THR OG1 : rot 155:sc= -1.28 USER MOD Single : A 96 SER OG : rot -37:sc= 0.437 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN :FLIP amide:sc= -3.67! C(o=-6.5!,f=-3.7!) USER MOD Single : A 101 GLN : amide:sc= -0.174 K(o=-0.17,f=-0.7) 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= 0.031 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -151:sc= -0.931! USER MOD ----------------------------------------------------------------- ATOM 202 N ASP A 16 16.479 -0.939 -13.227 1.00 0.00 N ATOM 203 CA ASP A 16 17.162 -0.020 -12.332 1.00 0.00 C ATOM 204 C ASP A 16 16.372 0.096 -11.027 1.00 0.00 C ATOM 205 O ASP A 16 16.864 -0.279 -9.964 1.00 0.00 O ATOM 206 CB ASP A 16 17.264 1.376 -12.949 1.00 0.00 C ATOM 207 CG ASP A 16 18.338 2.277 -12.337 1.00 0.00 C ATOM 208 OD1 ASP A 16 18.788 1.944 -11.219 1.00 0.00 O ATOM 209 OD2 ASP A 16 18.684 3.278 -13.000 1.00 0.00 O ATOM 0 HA ASP A 16 18.164 -0.408 -12.151 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.463 1.272 -14.016 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.298 1.871 -12.852 1.00 0.00 H new ATOM 214 N VAL A 17 15.160 0.617 -11.150 1.00 0.00 N ATOM 215 CA VAL A 17 14.297 0.787 -9.994 1.00 0.00 C ATOM 216 C VAL A 17 14.380 -0.461 -9.113 1.00 0.00 C ATOM 217 O VAL A 17 14.866 -1.503 -9.551 1.00 0.00 O ATOM 218 CB VAL A 17 12.871 1.106 -10.447 1.00 0.00 C ATOM 219 CG1 VAL A 17 12.715 2.596 -10.758 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.475 0.250 -11.651 1.00 0.00 C ATOM 0 H VAL A 17 14.755 0.927 -12.033 1.00 0.00 H new ATOM 0 HA VAL A 17 14.628 1.633 -9.391 1.00 0.00 H new ATOM 0 HB VAL A 17 12.196 0.863 -9.626 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.692 2.796 -11.078 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.936 3.179 -9.864 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.405 2.876 -11.554 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.457 0.496 -11.953 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.157 0.448 -12.478 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.528 -0.805 -11.381 1.00 0.00 H new ATOM 230 N PRO A 18 13.884 -0.312 -7.855 1.00 0.00 N ATOM 231 CA PRO A 18 13.897 -1.414 -6.910 1.00 0.00 C ATOM 232 C PRO A 18 12.816 -2.442 -7.251 1.00 0.00 C ATOM 233 O PRO A 18 12.099 -2.290 -8.239 1.00 0.00 O ATOM 234 CB PRO A 18 13.694 -0.768 -5.549 1.00 0.00 C ATOM 235 CG PRO A 18 13.113 0.609 -5.824 1.00 0.00 C ATOM 236 CD PRO A 18 13.301 0.907 -7.303 1.00 0.00 C ATOM 0 HA PRO A 18 14.830 -1.977 -6.934 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.019 -1.361 -4.932 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.637 -0.693 -5.008 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.056 0.637 -5.560 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.613 1.363 -5.216 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.352 1.145 -7.783 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.958 1.764 -7.454 1.00 0.00 H new ATOM 244 N GLY A 19 12.731 -3.465 -6.413 1.00 0.00 N ATOM 245 CA GLY A 19 11.750 -4.517 -6.613 1.00 0.00 C ATOM 246 C GLY A 19 10.603 -4.396 -5.607 1.00 0.00 C ATOM 247 O GLY A 19 10.321 -3.307 -5.111 1.00 0.00 O ATOM 0 H GLY A 19 13.326 -3.587 -5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.356 -4.463 -7.628 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.229 -5.490 -6.508 1.00 0.00 H new ATOM 251 N PRO A 20 9.957 -5.560 -5.330 1.00 0.00 N ATOM 252 CA PRO A 20 8.847 -5.595 -4.392 1.00 0.00 C ATOM 253 C PRO A 20 9.346 -5.487 -2.949 1.00 0.00 C ATOM 254 O PRO A 20 10.305 -6.157 -2.569 1.00 0.00 O ATOM 255 CB PRO A 20 8.132 -6.905 -4.677 1.00 0.00 C ATOM 256 CG PRO A 20 9.128 -7.767 -5.437 1.00 0.00 C ATOM 257 CD PRO A 20 10.264 -6.869 -5.899 1.00 0.00 C ATOM 0 HA PRO A 20 8.167 -4.752 -4.513 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.822 -7.390 -3.751 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.231 -6.738 -5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.508 -8.565 -4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.647 -8.244 -6.291 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.228 -7.237 -5.548 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.317 -6.825 -6.987 1.00 0.00 H new ATOM 265 N VAL A 21 8.672 -4.640 -2.186 1.00 0.00 N ATOM 266 CA VAL A 21 9.034 -4.436 -0.794 1.00 0.00 C ATOM 267 C VAL A 21 9.006 -5.779 -0.062 1.00 0.00 C ATOM 268 O VAL A 21 8.558 -6.783 -0.616 1.00 0.00 O ATOM 269 CB VAL A 21 8.112 -3.391 -0.161 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.562 -1.974 -0.520 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.656 -3.625 -0.570 1.00 0.00 C ATOM 0 H VAL A 21 7.877 -4.087 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 21 10.048 -4.045 -0.717 1.00 0.00 H new ATOM 0 HB VAL A 21 8.177 -3.498 0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.890 -1.251 -0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.576 -1.811 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.541 -1.849 -1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.022 -2.869 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.567 -3.558 -1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.340 -4.615 -0.241 1.00 0.00 H new ATOM 281 N GLY A 22 9.490 -5.756 1.171 1.00 0.00 N ATOM 282 CA GLY A 22 9.526 -6.959 1.984 1.00 0.00 C ATOM 283 C GLY A 22 8.258 -7.793 1.787 1.00 0.00 C ATOM 284 O GLY A 22 8.242 -8.724 0.984 1.00 0.00 O ATOM 0 H GLY A 22 9.861 -4.922 1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.401 -7.554 1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.628 -6.689 3.035 1.00 0.00 H new ATOM 288 N HIS A 23 7.226 -7.427 2.533 1.00 0.00 N ATOM 289 CA HIS A 23 5.957 -8.129 2.451 1.00 0.00 C ATOM 290 C HIS A 23 4.845 -7.248 3.024 1.00 0.00 C ATOM 291 O HIS A 23 5.015 -6.633 4.075 1.00 0.00 O ATOM 292 CB HIS A 23 6.045 -9.494 3.137 1.00 0.00 C ATOM 293 CG HIS A 23 6.111 -9.421 4.643 1.00 0.00 C ATOM 294 ND1 HIS A 23 5.154 -9.992 5.464 1.00 0.00 N ATOM 295 CD2 HIS A 23 7.028 -8.839 5.469 1.00 0.00 C ATOM 296 CE1 HIS A 23 5.489 -9.758 6.724 1.00 0.00 C ATOM 297 NE2 HIS A 23 6.651 -9.043 6.725 1.00 0.00 N ATOM 0 H HIS A 23 7.243 -6.653 3.197 1.00 0.00 H new ATOM 0 HA HIS A 23 5.714 -8.327 1.407 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.179 -10.090 2.850 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.928 -10.017 2.770 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.911 -8.303 5.154 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.939 -10.077 7.597 1.00 0.00 H new ATOM 0 HE2 HIS A 23 7.148 -8.719 7.555 1.00 0.00 H new ATOM 305 N LEU A 24 3.731 -7.216 2.308 1.00 0.00 N ATOM 306 CA LEU A 24 2.591 -6.421 2.732 1.00 0.00 C ATOM 307 C LEU A 24 2.100 -6.925 4.090 1.00 0.00 C ATOM 308 O LEU A 24 2.094 -8.129 4.344 1.00 0.00 O ATOM 309 CB LEU A 24 1.509 -6.415 1.650 1.00 0.00 C ATOM 310 CG LEU A 24 1.487 -5.193 0.730 1.00 0.00 C ATOM 311 CD1 LEU A 24 0.644 -4.068 1.334 1.00 0.00 C ATOM 312 CD2 LEU A 24 2.907 -4.731 0.398 1.00 0.00 C ATOM 0 H LEU A 24 3.593 -7.728 1.437 1.00 0.00 H new ATOM 0 HA LEU A 24 2.882 -5.379 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.634 -7.306 1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.537 -6.497 2.136 1.00 0.00 H new ATOM 0 HG LEU A 24 1.015 -5.481 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.645 -3.211 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.379 -4.416 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.065 -3.774 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.863 -3.861 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.428 -4.466 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.444 -5.536 -0.104 1.00 0.00 H new ATOM 324 N SER A 25 1.700 -5.980 4.928 1.00 0.00 N ATOM 325 CA SER A 25 1.208 -6.313 6.254 1.00 0.00 C ATOM 326 C SER A 25 0.056 -5.382 6.634 1.00 0.00 C ATOM 327 O SER A 25 0.173 -4.163 6.515 1.00 0.00 O ATOM 328 CB SER A 25 2.327 -6.226 7.294 1.00 0.00 C ATOM 329 OG SER A 25 3.506 -6.903 6.868 1.00 0.00 O ATOM 0 H SER A 25 1.707 -4.983 4.714 1.00 0.00 H new ATOM 0 HA SER A 25 0.845 -7.340 6.236 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.560 -5.179 7.489 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.982 -6.656 8.234 1.00 0.00 H new ATOM 0 HG SER A 25 4.197 -6.823 7.559 1.00 0.00 H new ATOM 335 N PHE A 26 -1.031 -5.991 7.084 1.00 0.00 N ATOM 336 CA PHE A 26 -2.204 -5.231 7.483 1.00 0.00 C ATOM 337 C PHE A 26 -2.584 -5.531 8.934 1.00 0.00 C ATOM 338 O PHE A 26 -2.673 -6.693 9.329 1.00 0.00 O ATOM 339 CB PHE A 26 -3.350 -5.665 6.568 1.00 0.00 C ATOM 340 CG PHE A 26 -3.059 -5.483 5.077 1.00 0.00 C ATOM 341 CD1 PHE A 26 -2.291 -4.443 4.656 1.00 0.00 C ATOM 342 CD2 PHE A 26 -3.569 -6.362 4.172 1.00 0.00 C ATOM 343 CE1 PHE A 26 -2.021 -4.274 3.272 1.00 0.00 C ATOM 344 CE2 PHE A 26 -3.299 -6.193 2.788 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.531 -5.153 2.367 1.00 0.00 C ATOM 0 H PHE A 26 -1.124 -7.002 7.181 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.001 -4.163 7.402 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.576 -6.714 6.758 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.243 -5.095 6.826 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.886 -3.745 5.374 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.179 -7.188 4.506 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.411 -3.448 2.938 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.704 -6.891 2.070 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.326 -5.025 1.314 1.00 0.00 H new ATOM 355 N SER A 27 -2.799 -4.464 9.689 1.00 0.00 N ATOM 356 CA SER A 27 -3.168 -4.598 11.088 1.00 0.00 C ATOM 357 C SER A 27 -4.171 -3.509 11.471 1.00 0.00 C ATOM 358 O SER A 27 -4.487 -2.638 10.662 1.00 0.00 O ATOM 359 CB SER A 27 -1.935 -4.526 11.992 1.00 0.00 C ATOM 360 OG SER A 27 -1.225 -3.301 11.830 1.00 0.00 O ATOM 0 H SER A 27 -2.725 -3.502 9.358 1.00 0.00 H new ATOM 0 HA SER A 27 -3.631 -5.575 11.228 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.242 -4.632 13.033 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.272 -5.362 11.768 1.00 0.00 H new ATOM 0 HG SER A 27 -0.446 -3.293 12.425 1.00 0.00 H new ATOM 366 N GLU A 28 -4.645 -3.593 12.706 1.00 0.00 N ATOM 367 CA GLU A 28 -5.606 -2.626 13.206 1.00 0.00 C ATOM 368 C GLU A 28 -6.651 -2.311 12.133 1.00 0.00 C ATOM 369 O GLU A 28 -7.012 -1.152 11.934 1.00 0.00 O ATOM 370 CB GLU A 28 -4.906 -1.351 13.680 1.00 0.00 C ATOM 371 CG GLU A 28 -4.119 -1.604 14.968 1.00 0.00 C ATOM 372 CD GLU A 28 -5.000 -1.388 16.200 1.00 0.00 C ATOM 373 OE1 GLU A 28 -6.074 -2.026 16.248 1.00 0.00 O ATOM 374 OE2 GLU A 28 -4.580 -0.591 17.066 1.00 0.00 O ATOM 0 H GLU A 28 -4.381 -4.316 13.375 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.116 -3.062 14.065 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.232 -0.991 12.902 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.645 -0.568 13.849 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.732 -2.623 14.968 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.259 -0.936 15.010 1.00 0.00 H new ATOM 381 N ILE A 29 -7.107 -3.363 11.470 1.00 0.00 N ATOM 382 CA ILE A 29 -8.102 -3.214 10.422 1.00 0.00 C ATOM 383 C ILE A 29 -9.463 -2.917 11.056 1.00 0.00 C ATOM 384 O ILE A 29 -9.737 -3.346 12.176 1.00 0.00 O ATOM 385 CB ILE A 29 -8.105 -4.440 9.506 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.678 -4.852 9.139 1.00 0.00 C ATOM 387 CG2 ILE A 29 -8.968 -4.196 8.267 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.635 -5.508 7.757 1.00 0.00 C ATOM 0 H ILE A 29 -6.806 -4.323 11.638 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.856 -2.367 9.781 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.551 -5.273 10.050 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.029 -3.977 9.150 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.292 -5.545 9.887 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.953 -5.082 7.633 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.993 -3.986 8.573 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.574 -3.345 7.711 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.609 -5.791 7.520 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.266 -6.397 7.756 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.999 -4.804 7.009 1.00 0.00 H new ATOM 400 N LEU A 30 -10.279 -2.185 10.312 1.00 0.00 N ATOM 401 CA LEU A 30 -11.604 -1.826 10.787 1.00 0.00 C ATOM 402 C LEU A 30 -12.628 -2.099 9.684 1.00 0.00 C ATOM 403 O LEU A 30 -12.550 -3.117 8.997 1.00 0.00 O ATOM 404 CB LEU A 30 -11.618 -0.383 11.295 1.00 0.00 C ATOM 405 CG LEU A 30 -10.508 -0.007 12.279 1.00 0.00 C ATOM 406 CD1 LEU A 30 -10.195 1.489 12.208 1.00 0.00 C ATOM 407 CD2 LEU A 30 -10.861 -0.452 13.700 1.00 0.00 C ATOM 0 H LEU A 30 -10.048 -1.831 9.384 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.883 -2.443 11.641 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.556 0.284 10.435 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.579 -0.197 11.774 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.602 -0.539 11.991 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.403 1.729 12.917 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.869 1.745 11.200 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.090 2.060 12.456 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.056 -0.173 14.379 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.785 0.033 14.014 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.994 -1.534 13.720 1.00 0.00 H new ATOM 419 N ASP A 31 -13.566 -1.172 9.548 1.00 0.00 N ATOM 420 CA ASP A 31 -14.604 -1.301 8.540 1.00 0.00 C ATOM 421 C ASP A 31 -14.292 -0.365 7.370 1.00 0.00 C ATOM 422 O ASP A 31 -14.712 -0.615 6.241 1.00 0.00 O ATOM 423 CB ASP A 31 -15.971 -0.911 9.104 1.00 0.00 C ATOM 424 CG ASP A 31 -15.942 0.187 10.169 1.00 0.00 C ATOM 425 OD1 ASP A 31 -15.222 -0.013 11.171 1.00 0.00 O ATOM 426 OD2 ASP A 31 -16.640 1.202 9.958 1.00 0.00 O ATOM 0 H ASP A 31 -13.628 -0.329 10.119 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.631 -2.341 8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.606 -0.582 8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.438 -1.799 9.531 1.00 0.00 H new ATOM 431 N THR A 32 -13.556 0.692 7.680 1.00 0.00 N ATOM 432 CA THR A 32 -13.182 1.666 6.668 1.00 0.00 C ATOM 433 C THR A 32 -11.838 2.309 7.017 1.00 0.00 C ATOM 434 O THR A 32 -11.579 3.453 6.649 1.00 0.00 O ATOM 435 CB THR A 32 -14.324 2.677 6.541 1.00 0.00 C ATOM 436 OG1 THR A 32 -14.288 3.399 7.769 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.700 2.009 6.541 1.00 0.00 C ATOM 0 H THR A 32 -13.209 0.896 8.617 1.00 0.00 H new ATOM 0 HA THR A 32 -13.038 1.192 5.697 1.00 0.00 H new ATOM 0 HB THR A 32 -14.199 3.251 5.623 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.995 4.077 7.771 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.474 2.771 6.449 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.769 1.318 5.701 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.839 1.462 7.473 1.00 0.00 H new ATOM 445 N SER A 33 -11.019 1.544 7.724 1.00 0.00 N ATOM 446 CA SER A 33 -9.708 2.024 8.127 1.00 0.00 C ATOM 447 C SER A 33 -8.825 0.847 8.546 1.00 0.00 C ATOM 448 O SER A 33 -9.224 0.032 9.376 1.00 0.00 O ATOM 449 CB SER A 33 -9.820 3.037 9.269 1.00 0.00 C ATOM 450 OG SER A 33 -11.008 2.851 10.033 1.00 0.00 O ATOM 0 H SER A 33 -11.238 0.595 8.028 1.00 0.00 H new ATOM 0 HA SER A 33 -9.251 2.527 7.275 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.952 2.945 9.921 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.806 4.047 8.860 1.00 0.00 H new ATOM 0 HG SER A 33 -11.123 3.606 10.647 1.00 0.00 H new ATOM 456 N LEU A 34 -7.642 0.795 7.951 1.00 0.00 N ATOM 457 CA LEU A 34 -6.700 -0.269 8.252 1.00 0.00 C ATOM 458 C LEU A 34 -5.273 0.256 8.079 1.00 0.00 C ATOM 459 O LEU A 34 -5.036 1.172 7.294 1.00 0.00 O ATOM 460 CB LEU A 34 -7.005 -1.509 7.410 1.00 0.00 C ATOM 461 CG LEU A 34 -6.671 -1.407 5.920 1.00 0.00 C ATOM 462 CD1 LEU A 34 -5.161 -1.295 5.704 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.277 -2.577 5.142 1.00 0.00 C ATOM 0 H LEU A 34 -7.315 1.472 7.262 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.801 -0.585 9.290 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.455 -2.352 7.828 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.066 -1.739 7.509 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.120 -0.494 5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.950 -1.224 4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.786 -0.404 6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.669 -2.177 6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.025 -2.481 4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.877 -3.515 5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.361 -2.569 5.259 1.00 0.00 H new ATOM 475 N LYS A 35 -4.360 -0.349 8.826 1.00 0.00 N ATOM 476 CA LYS A 35 -2.963 0.046 8.765 1.00 0.00 C ATOM 477 C LYS A 35 -2.217 -0.880 7.802 1.00 0.00 C ATOM 478 O LYS A 35 -2.473 -2.083 7.770 1.00 0.00 O ATOM 479 CB LYS A 35 -2.357 0.091 10.169 1.00 0.00 C ATOM 480 CG LYS A 35 -0.838 0.260 10.106 1.00 0.00 C ATOM 481 CD LYS A 35 -0.379 1.424 10.987 1.00 0.00 C ATOM 482 CE LYS A 35 0.320 2.500 10.153 1.00 0.00 C ATOM 483 NZ LYS A 35 0.614 3.689 10.984 1.00 0.00 N ATOM 0 H LYS A 35 -4.561 -1.109 9.476 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.870 1.058 8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.795 0.915 10.732 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.602 -0.826 10.704 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.352 -0.660 10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.530 0.436 9.075 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.238 1.857 11.500 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.300 1.057 11.756 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.245 2.102 9.737 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.312 2.784 9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.450 4.179 10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.202 4.334 10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.801 3.391 11.963 1.00 0.00 H new ATOM 497 N VAL A 36 -1.310 -0.285 7.042 1.00 0.00 N ATOM 498 CA VAL A 36 -0.526 -1.042 6.081 1.00 0.00 C ATOM 499 C VAL A 36 0.956 -0.950 6.454 1.00 0.00 C ATOM 500 O VAL A 36 1.466 0.137 6.719 1.00 0.00 O ATOM 501 CB VAL A 36 -0.817 -0.548 4.663 1.00 0.00 C ATOM 502 CG1 VAL A 36 0.189 -1.123 3.664 1.00 0.00 C ATOM 503 CG2 VAL A 36 -2.252 -0.883 4.250 1.00 0.00 C ATOM 0 H VAL A 36 -1.100 0.713 7.072 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.804 -2.096 6.107 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.711 0.537 4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.041 -0.756 2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.196 -0.812 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.130 -2.211 3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.433 -0.521 3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.397 -1.963 4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.950 -0.404 4.937 1.00 0.00 H new ATOM 513 N SER A 37 1.604 -2.105 6.462 1.00 0.00 N ATOM 514 CA SER A 37 3.016 -2.169 6.797 1.00 0.00 C ATOM 515 C SER A 37 3.756 -3.043 5.783 1.00 0.00 C ATOM 516 O SER A 37 3.150 -3.892 5.130 1.00 0.00 O ATOM 517 CB SER A 37 3.222 -2.709 8.214 1.00 0.00 C ATOM 518 OG SER A 37 4.287 -3.654 8.275 1.00 0.00 O ATOM 0 H SER A 37 1.177 -3.005 6.242 1.00 0.00 H new ATOM 0 HA SER A 37 3.422 -1.158 6.760 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.433 -1.881 8.891 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.301 -3.178 8.561 1.00 0.00 H new ATOM 0 HG SER A 37 4.388 -3.974 9.196 1.00 0.00 H new ATOM 524 N TRP A 38 5.056 -2.806 5.682 1.00 0.00 N ATOM 525 CA TRP A 38 5.885 -3.561 4.758 1.00 0.00 C ATOM 526 C TRP A 38 7.330 -3.491 5.254 1.00 0.00 C ATOM 527 O TRP A 38 7.587 -3.036 6.367 1.00 0.00 O ATOM 528 CB TRP A 38 5.718 -3.048 3.326 1.00 0.00 C ATOM 529 CG TRP A 38 6.031 -1.560 3.158 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.217 -0.990 2.908 1.00 0.00 C ATOM 531 CD2 TRP A 38 5.090 -0.469 3.239 1.00 0.00 C ATOM 532 NE1 TRP A 38 7.111 0.383 2.822 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.776 0.710 3.029 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.705 -0.478 3.481 1.00 0.00 C ATOM 535 CZ2 TRP A 38 5.160 1.968 3.041 1.00 0.00 C ATOM 536 CZ3 TRP A 38 3.105 0.787 3.489 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.781 1.983 3.280 1.00 0.00 C ATOM 0 H TRP A 38 5.555 -2.102 6.225 1.00 0.00 H new ATOM 0 HA TRP A 38 5.577 -4.606 4.730 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.369 -3.622 2.667 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.694 -3.232 3.002 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.141 -1.537 2.789 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.872 1.037 2.640 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.148 -1.388 3.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.719 2.877 2.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 2.042 0.837 3.670 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.245 2.920 3.302 1.00 0.00 H new ATOM 548 N GLN A 39 8.237 -3.947 4.403 1.00 0.00 N ATOM 549 CA GLN A 39 9.650 -3.942 4.740 1.00 0.00 C ATOM 550 C GLN A 39 10.478 -3.447 3.552 1.00 0.00 C ATOM 551 O GLN A 39 9.929 -3.126 2.499 1.00 0.00 O ATOM 552 CB GLN A 39 10.112 -5.329 5.190 1.00 0.00 C ATOM 553 CG GLN A 39 10.332 -5.370 6.704 1.00 0.00 C ATOM 554 CD GLN A 39 11.807 -5.157 7.050 1.00 0.00 C ATOM 555 OE1 GLN A 39 12.677 -5.153 6.195 1.00 0.00 O ATOM 556 NE2 GLN A 39 12.038 -4.980 8.348 1.00 0.00 N ATOM 0 H GLN A 39 8.020 -4.323 3.480 1.00 0.00 H new ATOM 0 HA GLN A 39 9.801 -3.257 5.574 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.368 -6.074 4.907 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.037 -5.592 4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.727 -4.600 7.184 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.997 -6.330 7.098 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.263 -4.995 9.011 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.990 -4.829 8.681 1.00 0.00 H new ATOM 565 N GLU A 40 11.785 -3.400 3.761 1.00 0.00 N ATOM 566 CA GLU A 40 12.694 -2.949 2.721 1.00 0.00 C ATOM 567 C GLU A 40 12.970 -4.082 1.730 1.00 0.00 C ATOM 568 O GLU A 40 13.206 -5.220 2.134 1.00 0.00 O ATOM 569 CB GLU A 40 13.996 -2.417 3.323 1.00 0.00 C ATOM 570 CG GLU A 40 14.079 -0.895 3.192 1.00 0.00 C ATOM 571 CD GLU A 40 15.128 -0.319 4.145 1.00 0.00 C ATOM 572 OE1 GLU A 40 15.523 -1.062 5.070 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.512 0.850 3.927 1.00 0.00 O ATOM 0 H GLU A 40 12.237 -3.667 4.636 1.00 0.00 H new ATOM 0 HA GLU A 40 12.220 -2.128 2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.057 -2.699 4.374 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.847 -2.876 2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.330 -0.628 2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.106 -0.454 3.408 1.00 0.00 H new ATOM 580 N PRO A 41 12.931 -3.722 0.420 1.00 0.00 N ATOM 581 CA PRO A 41 13.175 -4.695 -0.632 1.00 0.00 C ATOM 582 C PRO A 41 14.664 -5.032 -0.733 1.00 0.00 C ATOM 583 O PRO A 41 15.515 -4.199 -0.426 1.00 0.00 O ATOM 584 CB PRO A 41 12.624 -4.056 -1.895 1.00 0.00 C ATOM 585 CG PRO A 41 12.515 -2.569 -1.597 1.00 0.00 C ATOM 586 CD PRO A 41 12.656 -2.384 -0.095 1.00 0.00 C ATOM 0 HA PRO A 41 12.688 -5.651 -0.441 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.284 -4.237 -2.744 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.651 -4.475 -2.152 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.292 -2.016 -2.125 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.557 -2.180 -1.941 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.465 -1.694 0.145 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.746 -1.972 0.340 1.00 0.00 H new ATOM 594 N GLY A 42 14.933 -6.256 -1.163 1.00 0.00 N ATOM 595 CA GLY A 42 16.304 -6.714 -1.309 1.00 0.00 C ATOM 596 C GLY A 42 16.928 -6.177 -2.599 1.00 0.00 C ATOM 597 O GLY A 42 18.129 -6.325 -2.821 1.00 0.00 O ATOM 0 H GLY A 42 14.224 -6.945 -1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.893 -6.387 -0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.328 -7.804 -1.315 1.00 0.00 H new ATOM 601 N GLU A 43 16.083 -5.566 -3.417 1.00 0.00 N ATOM 602 CA GLU A 43 16.536 -5.007 -4.679 1.00 0.00 C ATOM 603 C GLU A 43 16.573 -3.479 -4.600 1.00 0.00 C ATOM 604 O GLU A 43 16.218 -2.796 -5.559 1.00 0.00 O ATOM 605 CB GLU A 43 15.650 -5.475 -5.835 1.00 0.00 C ATOM 606 CG GLU A 43 16.140 -6.812 -6.395 1.00 0.00 C ATOM 607 CD GLU A 43 17.433 -6.632 -7.192 1.00 0.00 C ATOM 608 OE1 GLU A 43 17.345 -6.040 -8.290 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.481 -7.090 -6.687 1.00 0.00 O ATOM 0 H GLU A 43 15.087 -5.446 -3.230 1.00 0.00 H new ATOM 0 HA GLU A 43 17.547 -5.366 -4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.621 -5.576 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.650 -4.724 -6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.307 -7.513 -5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.372 -7.246 -7.035 1.00 0.00 H new ATOM 616 N LYS A 44 17.006 -2.988 -3.448 1.00 0.00 N ATOM 617 CA LYS A 44 17.094 -1.554 -3.232 1.00 0.00 C ATOM 618 C LYS A 44 17.612 -0.881 -4.505 1.00 0.00 C ATOM 619 O LYS A 44 17.191 0.224 -4.842 1.00 0.00 O ATOM 620 CB LYS A 44 17.934 -1.250 -1.990 1.00 0.00 C ATOM 621 CG LYS A 44 17.264 -1.796 -0.727 1.00 0.00 C ATOM 622 CD LYS A 44 17.783 -1.080 0.522 1.00 0.00 C ATOM 623 CE LYS A 44 16.918 -1.408 1.741 1.00 0.00 C ATOM 624 NZ LYS A 44 17.710 -2.135 2.758 1.00 0.00 N ATOM 0 H LYS A 44 17.300 -3.558 -2.655 1.00 0.00 H new ATOM 0 HA LYS A 44 16.107 -1.138 -3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 44 18.925 -1.691 -2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.073 -0.173 -1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.184 -1.670 -0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.455 -2.866 -0.643 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.814 -1.376 0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.787 -0.003 0.353 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.520 -0.488 2.170 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.064 -2.013 1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.108 -2.350 3.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.069 -3.022 2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.511 -1.545 3.061 1.00 0.00 H new ATOM 638 N ASN A 45 18.517 -1.577 -5.177 1.00 0.00 N ATOM 639 CA ASN A 45 19.097 -1.061 -6.405 1.00 0.00 C ATOM 640 C ASN A 45 19.346 0.441 -6.255 1.00 0.00 C ATOM 641 O ASN A 45 18.886 1.235 -7.074 1.00 0.00 O ATOM 642 CB ASN A 45 18.150 -1.267 -7.590 1.00 0.00 C ATOM 643 CG ASN A 45 18.423 -2.603 -8.284 1.00 0.00 C ATOM 644 OD1 ASN A 45 19.492 -2.846 -8.820 1.00 0.00 O ATOM 645 ND2 ASN A 45 17.401 -3.452 -8.245 1.00 0.00 N ATOM 0 H ASN A 45 18.863 -2.494 -4.894 1.00 0.00 H new ATOM 0 HA ASN A 45 20.028 -1.597 -6.589 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.117 -1.237 -7.244 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.271 -0.451 -8.303 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.484 -4.371 -8.681 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.534 -3.185 -7.779 1.00 0.00 H new ATOM 652 N GLY A 46 20.072 0.785 -5.202 1.00 0.00 N ATOM 653 CA GLY A 46 20.388 2.178 -4.933 1.00 0.00 C ATOM 654 C GLY A 46 19.954 2.576 -3.521 1.00 0.00 C ATOM 655 O GLY A 46 19.776 1.719 -2.658 1.00 0.00 O ATOM 0 H GLY A 46 20.451 0.123 -4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.460 2.340 -5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 46 19.890 2.815 -5.664 1.00 0.00 H new ATOM 659 N ILE A 47 19.797 3.878 -3.330 1.00 0.00 N ATOM 660 CA ILE A 47 19.387 4.400 -2.037 1.00 0.00 C ATOM 661 C ILE A 47 17.921 4.833 -2.109 1.00 0.00 C ATOM 662 O ILE A 47 17.614 5.919 -2.599 1.00 0.00 O ATOM 663 CB ILE A 47 20.335 5.512 -1.584 1.00 0.00 C ATOM 664 CG1 ILE A 47 21.678 4.935 -1.131 1.00 0.00 C ATOM 665 CG2 ILE A 47 19.688 6.376 -0.500 1.00 0.00 C ATOM 666 CD1 ILE A 47 21.480 3.846 -0.076 1.00 0.00 C ATOM 0 H ILE A 47 19.946 4.586 -4.048 1.00 0.00 H new ATOM 0 HA ILE A 47 19.454 3.625 -1.274 1.00 0.00 H new ATOM 0 HB ILE A 47 20.534 6.161 -2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.208 4.522 -1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.301 5.731 -0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.383 7.159 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.778 6.831 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.441 5.755 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.450 3.453 0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.971 4.267 0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.877 3.040 -0.494 1.00 0.00 H new ATOM 678 N LEU A 48 17.055 3.962 -1.612 1.00 0.00 N ATOM 679 CA LEU A 48 15.629 4.241 -1.613 1.00 0.00 C ATOM 680 C LEU A 48 15.400 5.709 -1.247 1.00 0.00 C ATOM 681 O LEU A 48 16.018 6.224 -0.316 1.00 0.00 O ATOM 682 CB LEU A 48 14.890 3.258 -0.703 1.00 0.00 C ATOM 683 CG LEU A 48 15.096 1.774 -1.012 1.00 0.00 C ATOM 684 CD1 LEU A 48 14.374 0.896 0.012 1.00 0.00 C ATOM 685 CD2 LEU A 48 14.672 1.448 -2.446 1.00 0.00 C ATOM 0 H LEU A 48 17.313 3.063 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 48 15.213 4.092 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.201 3.441 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.823 3.475 -0.757 1.00 0.00 H new ATOM 0 HG LEU A 48 16.160 1.553 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.536 -0.154 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.764 1.103 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.306 1.113 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.829 0.387 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.617 1.689 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.268 2.036 -3.144 1.00 0.00 H new ATOM 697 N THR A 49 14.512 6.342 -1.999 1.00 0.00 N ATOM 698 CA THR A 49 14.194 7.740 -1.765 1.00 0.00 C ATOM 699 C THR A 49 12.822 7.872 -1.103 1.00 0.00 C ATOM 700 O THR A 49 12.470 8.939 -0.601 1.00 0.00 O ATOM 701 CB THR A 49 14.297 8.478 -3.102 1.00 0.00 C ATOM 702 OG1 THR A 49 13.719 7.576 -4.042 1.00 0.00 O ATOM 703 CG2 THR A 49 15.744 8.634 -3.575 1.00 0.00 C ATOM 0 H THR A 49 14.003 5.912 -2.771 1.00 0.00 H new ATOM 0 HA THR A 49 14.900 8.195 -1.070 1.00 0.00 H new ATOM 0 HB THR A 49 13.838 9.462 -3.010 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.706 7.992 -4.929 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.760 9.164 -4.527 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.310 9.200 -2.835 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.194 7.649 -3.700 1.00 0.00 H new ATOM 711 N GLY A 50 12.083 6.772 -1.121 1.00 0.00 N ATOM 712 CA GLY A 50 10.757 6.751 -0.528 1.00 0.00 C ATOM 713 C GLY A 50 9.962 5.534 -1.006 1.00 0.00 C ATOM 714 O GLY A 50 10.500 4.667 -1.692 1.00 0.00 O ATOM 0 H GLY A 50 12.378 5.889 -1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.841 6.731 0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.223 7.664 -0.790 1.00 0.00 H new ATOM 718 N TYR A 51 8.693 5.510 -0.625 1.00 0.00 N ATOM 719 CA TYR A 51 7.818 4.414 -1.006 1.00 0.00 C ATOM 720 C TYR A 51 6.449 4.934 -1.449 1.00 0.00 C ATOM 721 O TYR A 51 5.857 5.781 -0.782 1.00 0.00 O ATOM 722 CB TYR A 51 7.644 3.558 0.249 1.00 0.00 C ATOM 723 CG TYR A 51 8.890 2.758 0.636 1.00 0.00 C ATOM 724 CD1 TYR A 51 9.237 1.632 -0.083 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.666 3.163 1.702 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.410 0.880 0.280 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.839 2.410 2.066 1.00 0.00 C ATOM 728 CZ TYR A 51 11.153 1.306 1.337 1.00 0.00 C ATOM 729 OH TYR A 51 12.261 0.595 1.680 1.00 0.00 O ATOM 0 H TYR A 51 8.250 6.232 -0.057 1.00 0.00 H new ATOM 0 HA TYR A 51 8.244 3.854 -1.838 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.367 4.205 1.082 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.815 2.867 0.093 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.629 1.315 -0.917 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.394 4.044 2.264 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.694 -0.002 -0.274 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.455 2.715 2.899 1.00 0.00 H new ATOM 0 HH TYR A 51 12.914 1.191 2.104 1.00 0.00 H new ATOM 739 N ARG A 52 5.986 4.405 -2.572 1.00 0.00 N ATOM 740 CA ARG A 52 4.697 4.804 -3.111 1.00 0.00 C ATOM 741 C ARG A 52 3.630 3.766 -2.761 1.00 0.00 C ATOM 742 O ARG A 52 3.706 2.619 -3.201 1.00 0.00 O ATOM 743 CB ARG A 52 4.763 4.966 -4.631 1.00 0.00 C ATOM 744 CG ARG A 52 3.360 5.073 -5.233 1.00 0.00 C ATOM 745 CD ARG A 52 3.260 6.267 -6.184 1.00 0.00 C ATOM 746 NE ARG A 52 3.085 5.792 -7.575 1.00 0.00 N ATOM 747 CZ ARG A 52 4.097 5.458 -8.388 1.00 0.00 C ATOM 748 NH1 ARG A 52 5.362 5.544 -7.954 1.00 0.00 N ATOM 749 NH2 ARG A 52 3.844 5.038 -9.635 1.00 0.00 N ATOM 0 H ARG A 52 6.480 3.704 -3.123 1.00 0.00 H new ATOM 0 HA ARG A 52 4.434 5.763 -2.665 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.339 5.857 -4.881 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.286 4.116 -5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.120 4.155 -5.770 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.625 5.177 -4.435 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.420 6.900 -5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.160 6.878 -6.110 1.00 0.00 H new ATOM 0 HE ARG A 52 2.135 5.714 -7.938 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.555 5.864 -7.005 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.132 5.290 -8.573 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.881 4.972 -9.966 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.614 4.784 -10.254 1.00 0.00 H new ATOM 763 N ILE A 53 2.659 4.204 -1.974 1.00 0.00 N ATOM 764 CA ILE A 53 1.577 3.327 -1.560 1.00 0.00 C ATOM 765 C ILE A 53 0.291 3.733 -2.284 1.00 0.00 C ATOM 766 O ILE A 53 0.083 4.910 -2.572 1.00 0.00 O ATOM 767 CB ILE A 53 1.448 3.318 -0.036 1.00 0.00 C ATOM 768 CG1 ILE A 53 0.418 2.282 0.421 1.00 0.00 C ATOM 769 CG2 ILE A 53 1.129 4.717 0.496 1.00 0.00 C ATOM 770 CD1 ILE A 53 0.359 2.205 1.948 1.00 0.00 C ATOM 0 H ILE A 53 2.599 5.156 -1.612 1.00 0.00 H new ATOM 0 HA ILE A 53 1.792 2.297 -1.845 1.00 0.00 H new ATOM 0 HB ILE A 53 2.409 3.025 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.565 2.543 0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.675 1.304 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.043 4.682 1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.929 5.403 0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.188 5.063 0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.380 1.462 2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.337 1.920 2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.078 3.178 2.351 1.00 0.00 H new ATOM 782 N SER A 54 -0.537 2.735 -2.556 1.00 0.00 N ATOM 783 CA SER A 54 -1.796 2.974 -3.240 1.00 0.00 C ATOM 784 C SER A 54 -2.819 1.908 -2.842 1.00 0.00 C ATOM 785 O SER A 54 -2.638 0.728 -3.139 1.00 0.00 O ATOM 786 CB SER A 54 -1.605 2.985 -4.758 1.00 0.00 C ATOM 787 OG SER A 54 -0.241 3.174 -5.123 1.00 0.00 O ATOM 0 H SER A 54 -0.361 1.760 -2.315 1.00 0.00 H new ATOM 0 HA SER A 54 -2.167 3.954 -2.940 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.965 2.045 -5.175 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.210 3.780 -5.194 1.00 0.00 H new ATOM 0 HG SER A 54 -0.161 3.173 -6.100 1.00 0.00 H new ATOM 793 N TRP A 55 -3.870 2.361 -2.175 1.00 0.00 N ATOM 794 CA TRP A 55 -4.921 1.460 -1.732 1.00 0.00 C ATOM 795 C TRP A 55 -6.111 1.621 -2.681 1.00 0.00 C ATOM 796 O TRP A 55 -6.352 2.709 -3.201 1.00 0.00 O ATOM 797 CB TRP A 55 -5.284 1.718 -0.269 1.00 0.00 C ATOM 798 CG TRP A 55 -5.943 3.076 -0.021 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.172 3.474 -0.378 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.356 4.206 0.658 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.418 4.773 0.018 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.279 5.232 0.669 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.087 4.356 1.244 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -6.031 6.480 1.253 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -3.854 5.610 1.823 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.773 6.653 1.842 1.00 0.00 C ATOM 0 H TRP A 55 -4.017 3.340 -1.930 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.583 0.424 -1.769 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.957 0.931 0.072 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.380 1.648 0.336 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.881 2.856 -0.909 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.278 5.299 -0.138 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.350 3.567 1.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.771 7.267 1.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.893 5.778 2.287 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.517 7.593 2.309 1.00 0.00 H new ATOM 817 N GLU A 56 -6.823 0.521 -2.876 1.00 0.00 N ATOM 818 CA GLU A 56 -7.982 0.526 -3.752 1.00 0.00 C ATOM 819 C GLU A 56 -8.787 -0.763 -3.576 1.00 0.00 C ATOM 820 O GLU A 56 -8.229 -1.806 -3.238 1.00 0.00 O ATOM 821 CB GLU A 56 -7.565 0.717 -5.212 1.00 0.00 C ATOM 822 CG GLU A 56 -6.987 -0.576 -5.791 1.00 0.00 C ATOM 823 CD GLU A 56 -6.700 -0.427 -7.286 1.00 0.00 C ATOM 824 OE1 GLU A 56 -5.613 0.100 -7.606 1.00 0.00 O ATOM 825 OE2 GLU A 56 -7.575 -0.844 -8.076 1.00 0.00 O ATOM 0 H GLU A 56 -6.620 -0.380 -2.442 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.617 1.368 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.426 1.031 -5.802 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.824 1.514 -5.281 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.068 -0.835 -5.265 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.688 -1.395 -5.632 1.00 0.00 H new ATOM 832 N GLU A 57 -10.085 -0.650 -3.814 1.00 0.00 N ATOM 833 CA GLU A 57 -10.972 -1.794 -3.685 1.00 0.00 C ATOM 834 C GLU A 57 -10.409 -2.991 -4.454 1.00 0.00 C ATOM 835 O GLU A 57 -9.342 -2.899 -5.058 1.00 0.00 O ATOM 836 CB GLU A 57 -12.384 -1.450 -4.164 1.00 0.00 C ATOM 837 CG GLU A 57 -13.276 -1.039 -2.991 1.00 0.00 C ATOM 838 CD GLU A 57 -14.667 -1.665 -3.115 1.00 0.00 C ATOM 839 OE1 GLU A 57 -14.726 -2.912 -3.155 1.00 0.00 O ATOM 840 OE2 GLU A 57 -15.639 -0.881 -3.166 1.00 0.00 O ATOM 0 H GLU A 57 -10.544 0.216 -4.096 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.037 -2.062 -2.630 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.338 -0.640 -4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.819 -2.310 -4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.816 -1.350 -2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.363 0.047 -2.959 1.00 0.00 H new ATOM 847 N TYR A 58 -11.152 -4.087 -4.406 1.00 0.00 N ATOM 848 CA TYR A 58 -10.740 -5.301 -5.091 1.00 0.00 C ATOM 849 C TYR A 58 -10.499 -5.037 -6.578 1.00 0.00 C ATOM 850 O TYR A 58 -9.383 -5.200 -7.069 1.00 0.00 O ATOM 851 CB TYR A 58 -11.902 -6.284 -4.941 1.00 0.00 C ATOM 852 CG TYR A 58 -11.850 -7.462 -5.916 1.00 0.00 C ATOM 853 CD1 TYR A 58 -10.753 -8.299 -5.928 1.00 0.00 C ATOM 854 CD2 TYR A 58 -12.900 -7.688 -6.782 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.704 -9.408 -6.846 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.851 -8.797 -7.700 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.755 -9.602 -7.686 1.00 0.00 C ATOM 858 OH TYR A 58 -11.708 -10.649 -8.553 1.00 0.00 O ATOM 0 H TYR A 58 -12.037 -4.160 -3.904 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.811 -5.684 -4.668 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.909 -6.669 -3.921 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.840 -5.747 -5.085 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.932 -8.123 -5.249 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.759 -7.033 -6.772 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.851 -10.071 -6.866 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.666 -8.985 -8.384 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.527 -10.666 -9.091 1.00 0.00 H new ATOM 868 N ASN A 59 -11.565 -4.633 -7.255 1.00 0.00 N ATOM 869 CA ASN A 59 -11.483 -4.344 -8.676 1.00 0.00 C ATOM 870 C ASN A 59 -12.160 -3.002 -8.959 1.00 0.00 C ATOM 871 O ASN A 59 -13.046 -2.916 -9.809 1.00 0.00 O ATOM 872 CB ASN A 59 -12.200 -5.417 -9.498 1.00 0.00 C ATOM 873 CG ASN A 59 -13.661 -5.556 -9.064 1.00 0.00 C ATOM 874 OD1 ASN A 59 -14.128 -4.900 -8.147 1.00 0.00 O ATOM 875 ND2 ASN A 59 -14.354 -6.443 -9.772 1.00 0.00 N ATOM 0 H ASN A 59 -12.489 -4.499 -6.845 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.430 -4.319 -8.955 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.154 -5.160 -10.556 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.689 -6.373 -9.379 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -15.338 -6.608 -9.560 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.902 -6.958 -10.527 1.00 0.00 H new ATOM 882 N ARG A 60 -11.718 -1.987 -8.231 1.00 0.00 N ATOM 883 CA ARG A 60 -12.270 -0.653 -8.394 1.00 0.00 C ATOM 884 C ARG A 60 -11.169 0.399 -8.244 1.00 0.00 C ATOM 885 O ARG A 60 -10.979 0.955 -7.164 1.00 0.00 O ATOM 886 CB ARG A 60 -13.368 -0.382 -7.363 1.00 0.00 C ATOM 887 CG ARG A 60 -14.756 -0.578 -7.976 1.00 0.00 C ATOM 888 CD ARG A 60 -15.851 -0.398 -6.923 1.00 0.00 C ATOM 889 NE ARG A 60 -17.091 0.098 -7.561 1.00 0.00 N ATOM 890 CZ ARG A 60 -17.987 -0.689 -8.172 1.00 0.00 C ATOM 891 NH1 ARG A 60 -17.786 -2.012 -8.232 1.00 0.00 N ATOM 892 NH2 ARG A 60 -19.084 -0.152 -8.724 1.00 0.00 N ATOM 0 H ARG A 60 -10.984 -2.062 -7.527 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.702 -0.592 -9.393 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.245 -1.051 -6.511 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.274 0.636 -6.985 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.904 0.137 -8.786 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -14.827 -1.574 -8.413 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -16.044 -1.346 -6.422 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.520 0.305 -6.158 1.00 0.00 H new ATOM 0 HE ARG A 60 -17.275 1.101 -7.534 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.951 -2.420 -7.813 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -18.468 -2.611 -8.697 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -19.237 0.856 -8.679 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -19.766 -0.751 -9.189 1.00 0.00 H new ATOM 906 N THR A 61 -10.472 0.640 -9.345 1.00 0.00 N ATOM 907 CA THR A 61 -9.395 1.615 -9.350 1.00 0.00 C ATOM 908 C THR A 61 -9.940 3.014 -9.052 1.00 0.00 C ATOM 909 O THR A 61 -9.249 3.839 -8.457 1.00 0.00 O ATOM 910 CB THR A 61 -8.675 1.518 -10.697 1.00 0.00 C ATOM 911 OG1 THR A 61 -8.018 0.254 -10.649 1.00 0.00 O ATOM 912 CG2 THR A 61 -7.532 2.527 -10.824 1.00 0.00 C ATOM 0 H THR A 61 -10.632 0.177 -10.240 1.00 0.00 H new ATOM 0 HA THR A 61 -8.671 1.408 -8.562 1.00 0.00 H new ATOM 0 HB THR A 61 -9.391 1.677 -11.503 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.903 -0.019 -9.715 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.055 2.416 -11.798 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.927 3.538 -10.727 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.799 2.347 -10.038 1.00 0.00 H new ATOM 920 N ASN A 62 -11.174 3.236 -9.478 1.00 0.00 N ATOM 921 CA ASN A 62 -11.820 4.520 -9.265 1.00 0.00 C ATOM 922 C ASN A 62 -11.667 4.925 -7.797 1.00 0.00 C ATOM 923 O ASN A 62 -11.728 6.108 -7.466 1.00 0.00 O ATOM 924 CB ASN A 62 -13.315 4.444 -9.581 1.00 0.00 C ATOM 925 CG ASN A 62 -13.901 5.841 -9.797 1.00 0.00 C ATOM 926 OD1 ASN A 62 -13.235 6.852 -9.648 1.00 0.00 O ATOM 927 ND2 ASN A 62 -15.182 5.840 -10.156 1.00 0.00 N ATOM 0 H ASN A 62 -11.744 2.548 -9.970 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.349 5.248 -9.925 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.471 3.838 -10.473 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.839 3.948 -8.763 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.665 6.722 -10.324 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.681 4.957 -10.263 1.00 0.00 H new ATOM 934 N THR A 63 -11.472 3.920 -6.956 1.00 0.00 N ATOM 935 CA THR A 63 -11.309 4.156 -5.532 1.00 0.00 C ATOM 936 C THR A 63 -9.846 3.977 -5.125 1.00 0.00 C ATOM 937 O THR A 63 -9.556 3.501 -4.028 1.00 0.00 O ATOM 938 CB THR A 63 -12.266 3.223 -4.786 1.00 0.00 C ATOM 939 OG1 THR A 63 -11.756 1.919 -5.051 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.667 3.208 -5.401 1.00 0.00 C ATOM 0 H THR A 63 -11.423 2.940 -7.234 1.00 0.00 H new ATOM 0 HA THR A 63 -11.562 5.183 -5.270 1.00 0.00 H new ATOM 0 HB THR A 63 -12.332 3.529 -3.742 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.974 1.663 -5.972 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.306 2.531 -4.834 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.088 4.213 -5.372 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.607 2.869 -6.435 1.00 0.00 H new ATOM 948 N ARG A 64 -8.961 4.369 -6.030 1.00 0.00 N ATOM 949 CA ARG A 64 -7.534 4.258 -5.779 1.00 0.00 C ATOM 950 C ARG A 64 -6.958 5.618 -5.381 1.00 0.00 C ATOM 951 O ARG A 64 -7.442 6.657 -5.829 1.00 0.00 O ATOM 952 CB ARG A 64 -6.796 3.741 -7.015 1.00 0.00 C ATOM 953 CG ARG A 64 -5.429 3.167 -6.637 1.00 0.00 C ATOM 954 CD ARG A 64 -4.341 3.671 -7.587 1.00 0.00 C ATOM 955 NE ARG A 64 -3.381 2.583 -7.881 1.00 0.00 N ATOM 956 CZ ARG A 64 -2.530 2.591 -8.916 1.00 0.00 C ATOM 957 NH1 ARG A 64 -2.514 3.630 -9.762 1.00 0.00 N ATOM 958 NH2 ARG A 64 -1.695 1.560 -9.105 1.00 0.00 N ATOM 0 H ARG A 64 -9.205 4.764 -6.938 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.395 3.548 -4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.394 2.973 -7.505 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.668 4.552 -7.732 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.182 3.449 -5.614 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.467 2.078 -6.667 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.792 4.029 -8.512 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.819 4.517 -7.139 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.366 1.777 -7.256 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.150 4.415 -9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.866 3.636 -10.550 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.707 0.769 -8.461 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.047 1.566 -9.893 1.00 0.00 H new ATOM 972 N VAL A 65 -5.932 5.568 -4.543 1.00 0.00 N ATOM 973 CA VAL A 65 -5.285 6.784 -4.080 1.00 0.00 C ATOM 974 C VAL A 65 -3.777 6.677 -4.319 1.00 0.00 C ATOM 975 O VAL A 65 -3.248 5.579 -4.486 1.00 0.00 O ATOM 976 CB VAL A 65 -5.641 7.040 -2.614 1.00 0.00 C ATOM 977 CG1 VAL A 65 -4.929 6.046 -1.695 1.00 0.00 C ATOM 978 CG2 VAL A 65 -5.319 8.482 -2.216 1.00 0.00 C ATOM 0 H VAL A 65 -5.533 4.705 -4.173 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.643 7.646 -4.643 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.715 6.892 -2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.199 6.250 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.229 5.031 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.850 6.148 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.581 8.638 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.254 8.669 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.892 9.168 -2.840 1.00 0.00 H new ATOM 988 N THR A 66 -3.128 7.832 -4.328 1.00 0.00 N ATOM 989 CA THR A 66 -1.692 7.882 -4.544 1.00 0.00 C ATOM 990 C THR A 66 -1.013 8.682 -3.430 1.00 0.00 C ATOM 991 O THR A 66 -1.102 9.908 -3.399 1.00 0.00 O ATOM 992 CB THR A 66 -1.444 8.454 -5.941 1.00 0.00 C ATOM 993 OG1 THR A 66 -2.081 7.525 -6.814 1.00 0.00 O ATOM 994 CG2 THR A 66 0.031 8.394 -6.344 1.00 0.00 C ATOM 0 H THR A 66 -3.570 8.741 -4.189 1.00 0.00 H new ATOM 0 HA THR A 66 -1.250 6.886 -4.502 1.00 0.00 H new ATOM 0 HB THR A 66 -1.788 9.488 -5.977 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.971 7.820 -7.742 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.152 8.812 -7.343 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.626 8.970 -5.635 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.367 7.357 -6.341 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.350 7.955 -2.543 1.00 0.00 N ATOM 1003 CA HIS A 67 0.344 8.581 -1.431 1.00 0.00 C ATOM 1004 C HIS A 67 1.850 8.355 -1.573 1.00 0.00 C ATOM 1005 O HIS A 67 2.282 7.453 -2.289 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.207 8.079 -0.094 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.295 8.949 0.487 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -2.382 8.629 1.246 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 -1.334 10.321 0.307 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 -3.049 9.745 1.516 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 -2.401 10.795 0.934 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.279 6.938 -2.572 1.00 0.00 H new ATOM 0 HA HIS A 67 0.170 9.657 -1.449 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.596 7.070 -0.229 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.612 8.012 0.622 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.639 7.691 1.554 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.617 10.906 -0.250 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.955 9.811 2.100 1.00 0.00 H new ATOM 1019 N TYR A 68 2.610 9.191 -0.880 1.00 0.00 N ATOM 1020 CA TYR A 68 4.059 9.094 -0.920 1.00 0.00 C ATOM 1021 C TYR A 68 4.650 9.131 0.490 1.00 0.00 C ATOM 1022 O TYR A 68 4.195 9.897 1.338 1.00 0.00 O ATOM 1023 CB TYR A 68 4.542 10.322 -1.695 1.00 0.00 C ATOM 1024 CG TYR A 68 4.445 10.176 -3.215 1.00 0.00 C ATOM 1025 CD1 TYR A 68 5.134 9.168 -3.857 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.668 11.054 -3.944 1.00 0.00 C ATOM 1027 CE1 TYR A 68 5.042 9.031 -5.288 1.00 0.00 C ATOM 1028 CE2 TYR A 68 3.576 10.917 -5.374 1.00 0.00 C ATOM 1029 CZ TYR A 68 4.268 9.912 -5.976 1.00 0.00 C ATOM 1030 OH TYR A 68 4.181 9.783 -7.327 1.00 0.00 O ATOM 0 H TYR A 68 2.249 9.939 -0.288 1.00 0.00 H new ATOM 0 HA TYR A 68 4.368 8.158 -1.384 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.957 11.188 -1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.578 10.525 -1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.742 8.482 -3.287 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.129 11.844 -3.441 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.576 8.246 -5.803 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.971 11.597 -5.956 1.00 0.00 H new ATOM 0 HH TYR A 68 3.593 10.480 -7.685 1.00 0.00 H new ATOM 1040 N LEU A 69 5.656 8.294 0.698 1.00 0.00 N ATOM 1041 CA LEU A 69 6.315 8.221 1.991 1.00 0.00 C ATOM 1042 C LEU A 69 7.831 8.208 1.786 1.00 0.00 C ATOM 1043 O LEU A 69 8.312 7.882 0.702 1.00 0.00 O ATOM 1044 CB LEU A 69 5.791 7.027 2.792 1.00 0.00 C ATOM 1045 CG LEU A 69 4.281 6.790 2.733 1.00 0.00 C ATOM 1046 CD1 LEU A 69 3.937 5.348 3.113 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.532 7.805 3.598 1.00 0.00 C ATOM 0 H LEU A 69 6.031 7.660 -0.008 1.00 0.00 H new ATOM 0 HA LEU A 69 6.082 9.103 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.294 6.128 2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.077 7.161 3.835 1.00 0.00 H new ATOM 0 HG LEU A 69 3.952 6.939 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.857 5.206 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.425 4.663 2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.283 5.147 4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.461 7.614 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.860 7.713 4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.741 8.813 3.240 1.00 0.00 H new ATOM 1059 N PRO A 70 8.561 8.574 2.874 1.00 0.00 N ATOM 1060 CA PRO A 70 10.013 8.607 2.824 1.00 0.00 C ATOM 1061 C PRO A 70 10.595 7.193 2.867 1.00 0.00 C ATOM 1062 O PRO A 70 9.854 6.215 2.955 1.00 0.00 O ATOM 1063 CB PRO A 70 10.428 9.457 4.014 1.00 0.00 C ATOM 1064 CG PRO A 70 9.228 9.482 4.947 1.00 0.00 C ATOM 1065 CD PRO A 70 8.025 8.966 4.174 1.00 0.00 C ATOM 0 HA PRO A 70 10.393 9.033 1.895 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.301 9.033 4.511 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.699 10.465 3.699 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.413 8.861 5.824 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.045 10.495 5.306 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.560 8.121 4.682 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.260 9.736 4.071 1.00 0.00 H new ATOM 1073 N ASN A 71 11.917 7.130 2.803 1.00 0.00 N ATOM 1074 CA ASN A 71 12.607 5.852 2.833 1.00 0.00 C ATOM 1075 C ASN A 71 12.852 5.444 4.287 1.00 0.00 C ATOM 1076 O ASN A 71 13.708 4.604 4.565 1.00 0.00 O ATOM 1077 CB ASN A 71 13.964 5.942 2.132 1.00 0.00 C ATOM 1078 CG ASN A 71 14.852 6.999 2.790 1.00 0.00 C ATOM 1079 OD1 ASN A 71 14.389 8.010 3.293 1.00 0.00 O ATOM 1080 ND2 ASN A 71 16.150 6.711 2.759 1.00 0.00 N ATOM 0 H ASN A 71 12.528 7.943 2.731 1.00 0.00 H new ATOM 0 HA ASN A 71 11.984 5.120 2.319 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.460 4.972 2.167 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.818 6.188 1.080 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.825 7.354 3.172 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.470 5.847 2.322 1.00 0.00 H new ATOM 1087 N VAL A 72 12.086 6.057 5.178 1.00 0.00 N ATOM 1088 CA VAL A 72 12.210 5.768 6.596 1.00 0.00 C ATOM 1089 C VAL A 72 10.933 5.081 7.085 1.00 0.00 C ATOM 1090 O VAL A 72 10.964 4.322 8.053 1.00 0.00 O ATOM 1091 CB VAL A 72 12.529 7.052 7.366 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.714 7.788 6.736 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.302 7.960 7.451 1.00 0.00 C ATOM 0 H VAL A 72 11.377 6.753 4.945 1.00 0.00 H new ATOM 0 HA VAL A 72 13.038 5.082 6.775 1.00 0.00 H new ATOM 0 HB VAL A 72 12.809 6.773 8.382 1.00 0.00 H new ATOM 0 HG11 VAL A 72 13.920 8.697 7.302 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.593 7.143 6.752 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.474 8.049 5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.556 8.865 8.003 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.977 8.228 6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.496 7.436 7.965 1.00 0.00 H new ATOM 1103 N THR A 73 9.841 5.371 6.394 1.00 0.00 N ATOM 1104 CA THR A 73 8.556 4.790 6.746 1.00 0.00 C ATOM 1105 C THR A 73 8.254 3.584 5.854 1.00 0.00 C ATOM 1106 O THR A 73 8.573 3.591 4.666 1.00 0.00 O ATOM 1107 CB THR A 73 7.499 5.892 6.656 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.693 6.657 7.843 1.00 0.00 O ATOM 1109 CG2 THR A 73 6.074 5.350 6.792 1.00 0.00 C ATOM 0 H THR A 73 9.819 6.001 5.592 1.00 0.00 H new ATOM 0 HA THR A 73 8.561 4.407 7.766 1.00 0.00 H new ATOM 0 HB THR A 73 7.600 6.414 5.704 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.049 7.395 7.865 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.363 6.173 6.721 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.880 4.633 5.994 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.963 4.857 7.758 1.00 0.00 H new ATOM 1117 N LEU A 74 7.643 2.578 6.462 1.00 0.00 N ATOM 1118 CA LEU A 74 7.294 1.368 5.738 1.00 0.00 C ATOM 1119 C LEU A 74 5.867 0.954 6.102 1.00 0.00 C ATOM 1120 O LEU A 74 5.423 -0.137 5.746 1.00 0.00 O ATOM 1121 CB LEU A 74 8.334 0.274 5.990 1.00 0.00 C ATOM 1122 CG LEU A 74 9.784 0.745 6.122 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.536 -0.083 7.166 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.490 0.736 4.765 1.00 0.00 C ATOM 0 H LEU A 74 7.381 2.576 7.448 1.00 0.00 H new ATOM 0 HA LEU A 74 7.309 1.550 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.061 -0.256 6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.280 -0.446 5.174 1.00 0.00 H new ATOM 0 HG LEU A 74 9.777 1.777 6.473 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.564 0.272 7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.046 0.020 8.134 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.535 -1.132 6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.519 1.075 4.888 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.487 -0.276 4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.968 1.403 4.079 1.00 0.00 H new ATOM 1136 N GLU A 75 5.187 1.847 6.807 1.00 0.00 N ATOM 1137 CA GLU A 75 3.819 1.588 7.223 1.00 0.00 C ATOM 1138 C GLU A 75 2.983 2.866 7.121 1.00 0.00 C ATOM 1139 O GLU A 75 3.508 3.969 7.267 1.00 0.00 O ATOM 1140 CB GLU A 75 3.777 1.017 8.641 1.00 0.00 C ATOM 1141 CG GLU A 75 4.057 2.105 9.679 1.00 0.00 C ATOM 1142 CD GLU A 75 5.244 1.724 10.567 1.00 0.00 C ATOM 1143 OE1 GLU A 75 6.387 1.919 10.101 1.00 0.00 O ATOM 1144 OE2 GLU A 75 4.981 1.245 11.691 1.00 0.00 O ATOM 0 H GLU A 75 5.558 2.751 7.100 1.00 0.00 H new ATOM 0 HA GLU A 75 3.390 0.842 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.800 0.573 8.829 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.513 0.219 8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.264 3.049 9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.172 2.260 10.296 1.00 0.00 H new ATOM 1151 N TYR A 76 1.696 2.674 6.870 1.00 0.00 N ATOM 1152 CA TYR A 76 0.782 3.797 6.746 1.00 0.00 C ATOM 1153 C TYR A 76 -0.661 3.359 7.003 1.00 0.00 C ATOM 1154 O TYR A 76 -1.059 2.261 6.618 1.00 0.00 O ATOM 1155 CB TYR A 76 0.906 4.283 5.301 1.00 0.00 C ATOM 1156 CG TYR A 76 0.025 5.491 4.974 1.00 0.00 C ATOM 1157 CD1 TYR A 76 -1.317 5.314 4.705 1.00 0.00 C ATOM 1158 CD2 TYR A 76 0.573 6.758 4.948 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -2.146 6.451 4.398 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -0.256 7.894 4.641 1.00 0.00 C ATOM 1161 CZ TYR A 76 -1.574 7.685 4.380 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.357 8.758 4.090 1.00 0.00 O ATOM 0 H TYR A 76 1.265 1.758 6.749 1.00 0.00 H new ATOM 0 HA TYR A 76 1.026 4.574 7.470 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.946 4.541 5.103 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.647 3.465 4.629 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.746 4.323 4.725 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.623 6.897 5.158 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.198 6.327 4.187 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.160 8.891 4.618 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.815 9.574 4.114 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.406 4.242 7.653 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.797 3.961 7.966 1.00 0.00 C ATOM 1174 C ARG A 77 -3.700 4.400 6.812 1.00 0.00 C ATOM 1175 O ARG A 77 -3.617 5.538 6.353 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.230 4.680 9.245 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.697 4.390 9.568 1.00 0.00 C ATOM 1178 CD ARG A 77 -4.885 4.111 11.060 1.00 0.00 C ATOM 1179 NE ARG A 77 -4.419 5.269 11.855 1.00 0.00 N ATOM 1180 CZ ARG A 77 -3.218 5.341 12.445 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -2.355 4.322 12.334 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -2.881 6.431 13.147 1.00 0.00 N ATOM 0 H ARG A 77 -1.072 5.152 7.971 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.892 2.886 8.117 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.601 4.361 10.076 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.085 5.754 9.129 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.313 5.240 9.273 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.038 3.532 8.988 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.936 3.914 11.272 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.329 3.217 11.344 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.052 6.062 11.960 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.612 3.492 11.800 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.441 4.377 12.783 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.539 7.206 13.232 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.967 6.486 13.596 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.541 3.474 6.376 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.459 3.751 5.284 1.00 0.00 C ATOM 1198 C VAL A 78 -6.832 4.110 5.856 1.00 0.00 C ATOM 1199 O VAL A 78 -7.206 3.633 6.926 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.504 2.561 4.323 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -6.484 2.818 3.177 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -4.108 2.234 3.789 1.00 0.00 C ATOM 0 H VAL A 78 -4.606 2.531 6.759 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.115 4.607 4.704 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.861 1.694 4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.497 1.957 2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.483 2.978 3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.171 3.703 2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.168 1.385 3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.711 3.098 3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.449 1.986 4.621 1.00 0.00 H new ATOM 1212 N THR A 79 -7.544 4.948 5.117 1.00 0.00 N ATOM 1213 CA THR A 79 -8.868 5.376 5.537 1.00 0.00 C ATOM 1214 C THR A 79 -9.722 5.738 4.320 1.00 0.00 C ATOM 1215 O THR A 79 -9.200 6.192 3.303 1.00 0.00 O ATOM 1216 CB THR A 79 -8.699 6.531 6.526 1.00 0.00 C ATOM 1217 OG1 THR A 79 -8.013 7.532 5.778 1.00 0.00 O ATOM 1218 CG2 THR A 79 -7.734 6.191 7.664 1.00 0.00 C ATOM 0 H THR A 79 -7.229 5.342 4.230 1.00 0.00 H new ATOM 0 HA THR A 79 -9.403 4.572 6.042 1.00 0.00 H new ATOM 0 HB THR A 79 -9.671 6.798 6.941 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.864 8.318 6.344 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.650 7.044 8.337 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.111 5.330 8.215 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.753 5.957 7.251 1.00 0.00 H new ATOM 1226 N GLY A 80 -11.022 5.524 4.466 1.00 0.00 N ATOM 1227 CA GLY A 80 -11.954 5.822 3.391 1.00 0.00 C ATOM 1228 C GLY A 80 -12.308 4.558 2.606 1.00 0.00 C ATOM 1229 O GLY A 80 -12.629 4.629 1.421 1.00 0.00 O ATOM 0 H GLY A 80 -11.451 5.148 5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.861 6.264 3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.516 6.561 2.720 1.00 0.00 H new ATOM 1233 N LEU A 81 -12.238 3.431 3.299 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.547 2.152 2.682 1.00 0.00 C ATOM 1235 C LEU A 81 -14.021 1.819 2.920 1.00 0.00 C ATOM 1236 O LEU A 81 -14.829 2.711 3.176 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.585 1.071 3.177 1.00 0.00 C ATOM 1238 CG LEU A 81 -10.142 1.519 3.423 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -9.457 0.619 4.453 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.358 1.590 2.111 1.00 0.00 C ATOM 0 H LEU A 81 -11.972 3.377 4.282 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.401 2.205 1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.980 0.659 4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.574 0.261 2.448 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.163 2.526 3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.433 0.959 4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.002 0.664 5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.447 -0.408 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.336 1.911 2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.343 0.606 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.836 2.304 1.440 1.00 0.00 H new ATOM 1252 N THR A 82 -14.327 0.533 2.828 1.00 0.00 N ATOM 1253 CA THR A 82 -15.689 0.071 3.030 1.00 0.00 C ATOM 1254 C THR A 82 -15.708 -1.142 3.962 1.00 0.00 C ATOM 1255 O THR A 82 -14.802 -1.973 3.924 1.00 0.00 O ATOM 1256 CB THR A 82 -16.303 -0.207 1.657 1.00 0.00 C ATOM 1257 OG1 THR A 82 -16.246 1.050 0.989 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.799 -0.519 1.736 1.00 0.00 C ATOM 0 H THR A 82 -13.654 -0.204 2.616 1.00 0.00 H new ATOM 0 HA THR A 82 -16.295 0.830 3.524 1.00 0.00 H new ATOM 0 HB THR A 82 -15.782 -1.043 1.190 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.361 1.166 0.585 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.185 -0.708 0.734 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.954 -1.401 2.357 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.325 0.330 2.173 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.751 -1.206 4.777 1.00 0.00 N ATOM 1267 CA ALA A 83 -16.900 -2.305 5.717 1.00 0.00 C ATOM 1268 C ALA A 83 -17.195 -3.593 4.946 1.00 0.00 C ATOM 1269 O ALA A 83 -17.915 -3.573 3.949 1.00 0.00 O ATOM 1270 CB ALA A 83 -17.996 -1.966 6.729 1.00 0.00 C ATOM 0 H ALA A 83 -17.501 -0.515 4.806 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.977 -2.460 6.276 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.108 -2.790 7.434 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.724 -1.060 7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.938 -1.806 6.205 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.625 -4.683 5.438 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.818 -5.978 4.808 1.00 0.00 C ATOM 1278 C LEU A 84 -16.694 -5.826 3.291 1.00 0.00 C ATOM 1279 O LEU A 84 -17.625 -6.144 2.553 1.00 0.00 O ATOM 1280 CB LEU A 84 -18.142 -6.600 5.257 1.00 0.00 C ATOM 1281 CG LEU A 84 -18.329 -6.761 6.767 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -19.432 -7.774 7.078 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -17.008 -7.126 7.448 1.00 0.00 C ATOM 0 H LEU A 84 -16.029 -4.696 6.266 1.00 0.00 H new ATOM 0 HA LEU A 84 -16.041 -6.675 5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.957 -5.987 4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.236 -7.582 4.793 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.648 -5.802 7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -19.544 -7.869 8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.372 -7.433 6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.167 -8.742 6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.169 -7.234 8.521 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.636 -8.066 7.040 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.276 -6.338 7.269 1.00 0.00 H new ATOM 1295 N THR A 85 -15.535 -5.340 2.870 1.00 0.00 N ATOM 1296 CA THR A 85 -15.277 -5.142 1.454 1.00 0.00 C ATOM 1297 C THR A 85 -13.833 -5.519 1.117 1.00 0.00 C ATOM 1298 O THR A 85 -12.921 -5.263 1.903 1.00 0.00 O ATOM 1299 CB THR A 85 -15.623 -3.692 1.108 1.00 0.00 C ATOM 1300 OG1 THR A 85 -17.038 -3.702 0.946 1.00 0.00 O ATOM 1301 CG2 THR A 85 -15.093 -3.275 -0.265 1.00 0.00 C ATOM 0 H THR A 85 -14.765 -5.078 3.485 1.00 0.00 H new ATOM 0 HA THR A 85 -15.901 -5.795 0.844 1.00 0.00 H new ATOM 0 HB THR A 85 -15.214 -3.029 1.871 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.468 -3.666 1.826 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.366 -2.238 -0.461 1.00 0.00 H new ATOM 0 HG22 THR A 85 -14.008 -3.374 -0.281 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.527 -3.916 -1.033 1.00 0.00 H new ATOM 1309 N THR A 86 -13.669 -6.122 -0.051 1.00 0.00 N ATOM 1310 CA THR A 86 -12.352 -6.537 -0.501 1.00 0.00 C ATOM 1311 C THR A 86 -11.577 -5.341 -1.057 1.00 0.00 C ATOM 1312 O THR A 86 -12.103 -4.577 -1.865 1.00 0.00 O ATOM 1313 CB THR A 86 -12.533 -7.668 -1.515 1.00 0.00 C ATOM 1314 OG1 THR A 86 -13.266 -8.660 -0.802 1.00 0.00 O ATOM 1315 CG2 THR A 86 -11.213 -8.359 -1.864 1.00 0.00 C ATOM 0 H THR A 86 -14.427 -6.333 -0.700 1.00 0.00 H new ATOM 0 HA THR A 86 -11.753 -6.916 0.327 1.00 0.00 H new ATOM 0 HB THR A 86 -12.986 -7.271 -2.423 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.429 -9.430 -1.387 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.398 -9.153 -2.587 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.524 -7.632 -2.293 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.776 -8.785 -0.961 1.00 0.00 H new ATOM 1323 N TYR A 87 -10.338 -5.215 -0.603 1.00 0.00 N ATOM 1324 CA TYR A 87 -9.486 -4.125 -1.045 1.00 0.00 C ATOM 1325 C TYR A 87 -8.072 -4.624 -1.352 1.00 0.00 C ATOM 1326 O TYR A 87 -7.674 -5.694 -0.893 1.00 0.00 O ATOM 1327 CB TYR A 87 -9.422 -3.139 0.123 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.574 -2.131 0.150 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -10.454 -0.929 -0.516 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -11.732 -2.425 0.841 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -11.537 0.019 -0.491 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -12.815 -1.477 0.866 1.00 0.00 C ATOM 1333 CZ TYR A 87 -12.664 -0.301 0.199 1.00 0.00 C ATOM 1334 OH TYR A 87 -13.688 0.594 0.223 1.00 0.00 O ATOM 0 H TYR A 87 -9.904 -5.850 0.067 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.883 -3.672 -1.954 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.421 -3.699 1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.478 -2.596 0.075 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.548 -0.699 -1.056 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -11.826 -3.366 1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -11.456 0.963 -1.009 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -13.727 -1.694 1.402 1.00 0.00 H new ATOM 0 HH TYR A 87 -13.684 1.118 -0.605 1.00 0.00 H new ATOM 1344 N THR A 88 -7.353 -3.826 -2.127 1.00 0.00 N ATOM 1345 CA THR A 88 -5.993 -4.173 -2.502 1.00 0.00 C ATOM 1346 C THR A 88 -5.054 -2.991 -2.257 1.00 0.00 C ATOM 1347 O THR A 88 -5.241 -1.916 -2.825 1.00 0.00 O ATOM 1348 CB THR A 88 -6.009 -4.645 -3.957 1.00 0.00 C ATOM 1349 OG1 THR A 88 -6.015 -6.067 -3.861 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.704 -4.327 -4.690 1.00 0.00 C ATOM 0 H THR A 88 -7.687 -2.940 -2.506 1.00 0.00 H new ATOM 0 HA THR A 88 -5.609 -4.986 -1.886 1.00 0.00 H new ATOM 0 HB THR A 88 -6.843 -4.178 -4.481 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.027 -6.456 -4.761 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.768 -4.683 -5.718 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.539 -3.250 -4.689 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.874 -4.822 -4.186 1.00 0.00 H new ATOM 1358 N ILE A 89 -4.063 -3.228 -1.409 1.00 0.00 N ATOM 1359 CA ILE A 89 -3.095 -2.196 -1.082 1.00 0.00 C ATOM 1360 C ILE A 89 -1.775 -2.496 -1.797 1.00 0.00 C ATOM 1361 O ILE A 89 -1.184 -3.556 -1.597 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.954 -2.055 0.435 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.305 -2.233 1.130 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -2.291 -0.726 0.803 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.372 -1.341 0.491 1.00 0.00 C ATOM 0 H ILE A 89 -3.910 -4.120 -0.939 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.438 -1.225 -1.439 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.301 -2.851 0.793 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.614 -3.276 1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.209 -1.990 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.203 -0.651 1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.299 -0.678 0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.898 0.099 0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.323 -1.487 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.071 -0.297 0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.483 -1.603 -0.561 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.353 -1.543 -2.615 1.00 0.00 N ATOM 1378 CA GLU A 90 -0.114 -1.692 -3.360 1.00 0.00 C ATOM 1379 C GLU A 90 0.970 -0.784 -2.775 1.00 0.00 C ATOM 1380 O GLU A 90 0.798 0.433 -2.713 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.330 -1.401 -4.846 1.00 0.00 C ATOM 1382 CG GLU A 90 -1.564 -2.135 -5.375 1.00 0.00 C ATOM 1383 CD GLU A 90 -2.551 -1.157 -6.016 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -3.042 -0.279 -5.274 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -2.793 -1.310 -7.233 1.00 0.00 O ATOM 0 H GLU A 90 -1.846 -0.665 -2.778 1.00 0.00 H new ATOM 0 HA GLU A 90 0.219 -2.726 -3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.448 -0.328 -4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.550 -1.707 -5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.260 -2.883 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.052 -2.668 -4.559 1.00 0.00 H new ATOM 1392 N VAL A 91 2.061 -1.410 -2.361 1.00 0.00 N ATOM 1393 CA VAL A 91 3.173 -0.674 -1.783 1.00 0.00 C ATOM 1394 C VAL A 91 4.392 -0.797 -2.700 1.00 0.00 C ATOM 1395 O VAL A 91 4.912 -1.893 -2.902 1.00 0.00 O ATOM 1396 CB VAL A 91 3.443 -1.165 -0.360 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.711 -0.527 0.209 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.240 -0.900 0.549 1.00 0.00 C ATOM 0 H VAL A 91 2.199 -2.419 -2.414 1.00 0.00 H new ATOM 0 HA VAL A 91 2.930 0.386 -1.705 1.00 0.00 H new ATOM 0 HB VAL A 91 3.601 -2.243 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.880 -0.893 1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.563 -0.789 -0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.595 0.557 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.458 -1.259 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.037 0.170 0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.367 -1.423 0.159 1.00 0.00 H new ATOM 1408 N ALA A 92 4.812 0.342 -3.229 1.00 0.00 N ATOM 1409 CA ALA A 92 5.960 0.375 -4.119 1.00 0.00 C ATOM 1410 C ALA A 92 7.100 1.141 -3.445 1.00 0.00 C ATOM 1411 O ALA A 92 6.893 1.804 -2.430 1.00 0.00 O ATOM 1412 CB ALA A 92 5.552 0.996 -5.457 1.00 0.00 C ATOM 0 H ALA A 92 4.378 1.249 -3.059 1.00 0.00 H new ATOM 0 HA ALA A 92 6.316 -0.635 -4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.413 1.021 -6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.760 0.399 -5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.192 2.011 -5.292 1.00 0.00 H new ATOM 1418 N ALA A 93 8.280 1.024 -4.037 1.00 0.00 N ATOM 1419 CA ALA A 93 9.454 1.696 -3.506 1.00 0.00 C ATOM 1420 C ALA A 93 9.971 2.700 -4.539 1.00 0.00 C ATOM 1421 O ALA A 93 9.934 2.436 -5.739 1.00 0.00 O ATOM 1422 CB ALA A 93 10.509 0.657 -3.123 1.00 0.00 C ATOM 0 H ALA A 93 8.448 0.474 -4.879 1.00 0.00 H new ATOM 0 HA ALA A 93 9.203 2.252 -2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.389 1.162 -2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.102 -0.013 -2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.789 0.081 -4.005 1.00 0.00 H new ATOM 1428 N MET A 94 10.442 3.831 -4.033 1.00 0.00 N ATOM 1429 CA MET A 94 10.967 4.875 -4.897 1.00 0.00 C ATOM 1430 C MET A 94 12.454 5.113 -4.628 1.00 0.00 C ATOM 1431 O MET A 94 12.879 5.172 -3.475 1.00 0.00 O ATOM 1432 CB MET A 94 10.191 6.172 -4.659 1.00 0.00 C ATOM 1433 CG MET A 94 8.704 5.987 -4.970 1.00 0.00 C ATOM 1434 SD MET A 94 7.831 7.522 -4.713 1.00 0.00 S ATOM 1435 CE MET A 94 8.405 7.934 -3.074 1.00 0.00 C ATOM 0 H MET A 94 10.471 4.047 -3.037 1.00 0.00 H new ATOM 0 HA MET A 94 10.851 4.556 -5.933 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.313 6.488 -3.623 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.601 6.965 -5.284 1.00 0.00 H new ATOM 0 HG2 MET A 94 8.578 5.656 -6.001 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.285 5.209 -4.332 1.00 0.00 H new ATOM 0 HE1 MET A 94 7.747 8.685 -2.636 1.00 0.00 H new ATOM 0 HE2 MET A 94 8.400 7.040 -2.451 1.00 0.00 H new ATOM 0 HE3 MET A 94 9.419 8.329 -3.132 1.00 0.00 H new ATOM 1445 N THR A 95 13.205 5.242 -5.712 1.00 0.00 N ATOM 1446 CA THR A 95 14.636 5.472 -5.608 1.00 0.00 C ATOM 1447 C THR A 95 15.012 6.800 -6.268 1.00 0.00 C ATOM 1448 O THR A 95 14.140 7.602 -6.598 1.00 0.00 O ATOM 1449 CB THR A 95 15.354 4.266 -6.217 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.523 3.883 -7.310 1.00 0.00 O ATOM 1451 CG2 THR A 95 15.339 3.047 -5.292 1.00 0.00 C ATOM 0 H THR A 95 12.849 5.192 -6.667 1.00 0.00 H new ATOM 0 HA THR A 95 14.948 5.563 -4.567 1.00 0.00 H new ATOM 0 HB THR A 95 16.385 4.535 -6.446 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.060 3.411 -7.980 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.861 2.220 -5.772 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.837 3.295 -4.355 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.308 2.757 -5.090 1.00 0.00 H new ATOM 1459 N SER A 96 16.312 6.991 -6.441 1.00 0.00 N ATOM 1460 CA SER A 96 16.814 8.208 -7.056 1.00 0.00 C ATOM 1461 C SER A 96 16.593 8.160 -8.569 1.00 0.00 C ATOM 1462 O SER A 96 16.944 9.099 -9.281 1.00 0.00 O ATOM 1463 CB SER A 96 18.298 8.411 -6.743 1.00 0.00 C ATOM 1464 OG SER A 96 18.775 9.668 -7.214 1.00 0.00 O ATOM 0 H SER A 96 17.032 6.323 -6.166 1.00 0.00 H new ATOM 0 HA SER A 96 16.264 9.053 -6.642 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.454 8.344 -5.666 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.878 7.609 -7.199 1.00 0.00 H new ATOM 0 HG SER A 96 18.350 9.879 -8.072 1.00 0.00 H new ATOM 1470 N LYS A 97 16.012 7.056 -9.015 1.00 0.00 N ATOM 1471 CA LYS A 97 15.740 6.873 -10.431 1.00 0.00 C ATOM 1472 C LYS A 97 14.230 6.937 -10.668 1.00 0.00 C ATOM 1473 O LYS A 97 13.776 7.527 -11.647 1.00 0.00 O ATOM 1474 CB LYS A 97 16.388 5.584 -10.939 1.00 0.00 C ATOM 1475 CG LYS A 97 15.344 4.652 -11.557 1.00 0.00 C ATOM 1476 CD LYS A 97 14.949 5.123 -12.958 1.00 0.00 C ATOM 1477 CE LYS A 97 13.441 4.987 -13.178 1.00 0.00 C ATOM 1478 NZ LYS A 97 13.004 5.833 -14.311 1.00 0.00 N ATOM 0 H LYS A 97 15.722 6.279 -8.421 1.00 0.00 H new ATOM 0 HA LYS A 97 16.189 7.678 -11.012 1.00 0.00 H new ATOM 0 HB2 LYS A 97 17.151 5.824 -11.680 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.891 5.077 -10.116 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.742 3.638 -11.609 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.461 4.616 -10.919 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.247 6.163 -13.094 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.483 4.538 -13.706 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.189 3.945 -13.376 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.908 5.277 -12.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.978 5.729 -14.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.227 6.828 -14.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.499 5.537 -15.176 1.00 0.00 H new ATOM 1492 N GLY A 98 13.493 6.321 -9.755 1.00 0.00 N ATOM 1493 CA GLY A 98 12.043 6.300 -9.852 1.00 0.00 C ATOM 1494 C GLY A 98 11.450 5.198 -8.972 1.00 0.00 C ATOM 1495 O GLY A 98 12.069 4.778 -7.995 1.00 0.00 O ATOM 0 H GLY A 98 13.873 5.833 -8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.641 7.267 -9.550 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.747 6.141 -10.889 1.00 0.00 H new ATOM 1499 N GLN A 99 10.258 4.761 -9.350 1.00 0.00 N ATOM 1500 CA GLN A 99 9.575 3.716 -8.608 1.00 0.00 C ATOM 1501 C GLN A 99 9.765 2.363 -9.297 1.00 0.00 C ATOM 1502 O GLN A 99 9.809 2.289 -10.524 1.00 0.00 O ATOM 1503 CB GLN A 99 8.089 4.042 -8.442 1.00 0.00 C ATOM 1504 CG GLN A 99 7.396 3.008 -7.553 1.00 0.00 C ATOM 1505 CD GLN A 99 6.179 2.405 -8.259 1.00 0.00 C ATOM 1506 OE1 GLN A 99 5.013 2.845 -7.796 1.00 0.00 O flip ATOM 1507 NE2 GLN A 99 6.292 1.595 -9.164 1.00 0.00 N flip ATOM 0 H GLN A 99 9.748 5.112 -10.161 1.00 0.00 H new ATOM 0 HA GLN A 99 10.015 3.660 -7.612 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.978 5.035 -8.006 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.607 4.067 -9.419 1.00 0.00 H new ATOM 0 HG2 GLN A 99 8.099 2.217 -7.293 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.084 3.476 -6.619 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.219 1.300 -9.471 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.460 1.213 -9.614 1.00 0.00 H new ATOM 1516 N GLY A 100 9.873 1.327 -8.479 1.00 0.00 N ATOM 1517 CA GLY A 100 10.057 -0.018 -8.995 1.00 0.00 C ATOM 1518 C GLY A 100 8.800 -0.865 -8.782 1.00 0.00 C ATOM 1519 O GLY A 100 7.697 -0.330 -8.689 1.00 0.00 O ATOM 0 H GLY A 100 9.837 1.392 -7.462 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.294 0.026 -10.058 1.00 0.00 H new ATOM 0 HA3 GLY A 100 10.905 -0.489 -8.498 1.00 0.00 H new ATOM 1523 N GLN A 101 9.010 -2.171 -8.712 1.00 0.00 N ATOM 1524 CA GLN A 101 7.907 -3.096 -8.513 1.00 0.00 C ATOM 1525 C GLN A 101 6.977 -2.583 -7.412 1.00 0.00 C ATOM 1526 O GLN A 101 7.310 -1.633 -6.705 1.00 0.00 O ATOM 1527 CB GLN A 101 8.422 -4.499 -8.186 1.00 0.00 C ATOM 1528 CG GLN A 101 7.713 -5.555 -9.037 1.00 0.00 C ATOM 1529 CD GLN A 101 8.715 -6.557 -9.614 1.00 0.00 C ATOM 1530 OE1 GLN A 101 9.815 -6.213 -10.016 1.00 0.00 O ATOM 1531 NE2 GLN A 101 8.275 -7.812 -9.634 1.00 0.00 N ATOM 0 H GLN A 101 9.927 -2.611 -8.789 1.00 0.00 H new ATOM 0 HA GLN A 101 7.339 -3.160 -9.441 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.497 -4.546 -8.362 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.263 -4.712 -7.129 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.976 -6.081 -8.431 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.171 -5.069 -9.848 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.343 -8.031 -9.282 1.00 0.00 H new ATOM 0 HE22 GLN A 101 8.869 -8.555 -10.001 1.00 0.00 H new ATOM 1540 N VAL A 102 5.828 -3.234 -7.302 1.00 0.00 N ATOM 1541 CA VAL A 102 4.846 -2.855 -6.300 1.00 0.00 C ATOM 1542 C VAL A 102 4.220 -4.117 -5.703 1.00 0.00 C ATOM 1543 O VAL A 102 3.902 -5.059 -6.428 1.00 0.00 O ATOM 1544 CB VAL A 102 3.813 -1.906 -6.911 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.592 -2.677 -7.415 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.404 -0.824 -5.910 1.00 0.00 C ATOM 0 H VAL A 102 5.555 -4.021 -7.890 1.00 0.00 H new ATOM 0 HA VAL A 102 5.323 -2.312 -5.484 1.00 0.00 H new ATOM 0 HB VAL A 102 4.274 -1.413 -7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.873 -1.979 -7.845 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.902 -3.393 -8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.129 -3.209 -6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.669 -0.163 -6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.970 -1.291 -5.026 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.281 -0.246 -5.620 1.00 0.00 H new ATOM 1556 N SER A 103 4.061 -4.096 -4.388 1.00 0.00 N ATOM 1557 CA SER A 103 3.478 -5.227 -3.686 1.00 0.00 C ATOM 1558 C SER A 103 2.003 -4.954 -3.388 1.00 0.00 C ATOM 1559 O SER A 103 1.681 -4.161 -2.504 1.00 0.00 O ATOM 1560 CB SER A 103 4.236 -5.521 -2.390 1.00 0.00 C ATOM 1561 OG SER A 103 5.371 -6.354 -2.612 1.00 0.00 O ATOM 0 H SER A 103 4.326 -3.313 -3.790 1.00 0.00 H new ATOM 0 HA SER A 103 3.556 -6.105 -4.328 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.558 -4.583 -1.938 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.565 -6.004 -1.679 1.00 0.00 H new ATOM 0 HG SER A 103 5.829 -6.517 -1.761 1.00 0.00 H new ATOM 1567 N ALA A 104 1.145 -5.625 -4.142 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.288 -5.465 -3.970 1.00 0.00 C ATOM 1569 C ALA A 104 -0.864 -6.724 -3.319 1.00 0.00 C ATOM 1570 O ALA A 104 -0.779 -7.813 -3.885 1.00 0.00 O ATOM 1571 CB ALA A 104 -0.935 -5.160 -5.323 1.00 0.00 C ATOM 0 H ALA A 104 1.416 -6.281 -4.874 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.503 -4.625 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.011 -5.040 -5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.514 -4.240 -5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.742 -5.982 -6.012 1.00 0.00 H new ATOM 1577 N SER A 105 -1.436 -6.534 -2.140 1.00 0.00 N ATOM 1578 CA SER A 105 -2.025 -7.642 -1.406 1.00 0.00 C ATOM 1579 C SER A 105 -3.512 -7.377 -1.164 1.00 0.00 C ATOM 1580 O SER A 105 -3.893 -6.278 -0.764 1.00 0.00 O ATOM 1581 CB SER A 105 -1.303 -7.868 -0.077 1.00 0.00 C ATOM 1582 OG SER A 105 -0.635 -9.127 -0.040 1.00 0.00 O ATOM 0 H SER A 105 -1.505 -5.629 -1.674 1.00 0.00 H new ATOM 0 HA SER A 105 -1.916 -8.546 -2.005 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.579 -7.069 0.083 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.022 -7.815 0.740 1.00 0.00 H new ATOM 0 HG SER A 105 -0.185 -9.233 0.824 1.00 0.00 H new ATOM 1588 N THR A 106 -4.312 -8.402 -1.416 1.00 0.00 N ATOM 1589 CA THR A 106 -5.749 -8.294 -1.230 1.00 0.00 C ATOM 1590 C THR A 106 -6.104 -8.392 0.255 1.00 0.00 C ATOM 1591 O THR A 106 -5.612 -9.274 0.957 1.00 0.00 O ATOM 1592 CB THR A 106 -6.419 -9.370 -2.087 1.00 0.00 C ATOM 1593 OG1 THR A 106 -5.541 -9.526 -3.198 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.730 -8.888 -2.713 1.00 0.00 C ATOM 0 H THR A 106 -3.992 -9.312 -1.748 1.00 0.00 H new ATOM 0 HA THR A 106 -6.118 -7.322 -1.556 1.00 0.00 H new ATOM 0 HB THR A 106 -6.611 -10.252 -1.476 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.899 -10.207 -3.805 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.164 -9.690 -3.311 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.427 -8.605 -1.924 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.534 -8.026 -3.350 1.00 0.00 H new ATOM 1602 N ILE A 107 -6.955 -7.474 0.689 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.381 -7.446 2.078 1.00 0.00 C ATOM 1604 C ILE A 107 -8.827 -6.953 2.153 1.00 0.00 C ATOM 1605 O ILE A 107 -9.170 -5.931 1.560 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.406 -6.622 2.921 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -6.919 -6.462 4.353 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -6.115 -5.273 2.261 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -6.748 -7.759 5.146 1.00 0.00 C ATOM 0 H ILE A 107 -7.361 -6.744 0.103 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.363 -8.450 2.502 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.461 -7.163 2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.379 -5.655 4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -7.971 -6.178 4.336 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.419 -4.707 2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.674 -5.437 1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.044 -4.713 2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.121 -7.617 6.160 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.309 -8.558 4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -5.692 -8.027 5.182 1.00 0.00 H new ATOM 1621 N SER A 108 -9.637 -7.702 2.887 1.00 0.00 N ATOM 1622 CA SER A 108 -11.038 -7.353 3.048 1.00 0.00 C ATOM 1623 C SER A 108 -11.259 -6.683 4.406 1.00 0.00 C ATOM 1624 O SER A 108 -10.966 -7.270 5.446 1.00 0.00 O ATOM 1625 CB SER A 108 -11.932 -8.588 2.914 1.00 0.00 C ATOM 1626 OG SER A 108 -13.266 -8.331 3.345 1.00 0.00 O ATOM 0 H SER A 108 -9.350 -8.549 3.377 1.00 0.00 H new ATOM 0 HA SER A 108 -11.309 -6.654 2.257 1.00 0.00 H new ATOM 0 HB2 SER A 108 -11.944 -8.916 1.875 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.512 -9.405 3.501 1.00 0.00 H new ATOM 0 HG SER A 108 -13.805 -9.143 3.242 1.00 0.00 H new ATOM 1632 N SER A 109 -11.773 -5.463 4.351 1.00 0.00 N ATOM 1633 CA SER A 109 -12.036 -4.708 5.564 1.00 0.00 C ATOM 1634 C SER A 109 -12.491 -5.650 6.680 1.00 0.00 C ATOM 1635 O SER A 109 -13.152 -6.654 6.419 1.00 0.00 O ATOM 1636 CB SER A 109 -13.091 -3.626 5.321 1.00 0.00 C ATOM 1637 OG SER A 109 -14.278 -4.158 4.740 1.00 0.00 O ATOM 0 H SER A 109 -12.014 -4.979 3.486 1.00 0.00 H new ATOM 0 HA SER A 109 -11.112 -4.216 5.867 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.336 -3.140 6.265 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.679 -2.859 4.665 1.00 0.00 H new ATOM 0 HG SER A 109 -14.711 -3.470 4.192 1.00 0.00 H new ATOM 1643 N GLY A 110 -12.118 -5.294 7.900 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.479 -6.095 9.057 1.00 0.00 C ATOM 1645 C GLY A 110 -13.998 -6.158 9.228 1.00 0.00 C ATOM 1646 O GLY A 110 -14.664 -6.976 8.596 1.00 0.00 O ATOM 0 H GLY A 110 -11.569 -4.461 8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.080 -7.103 8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.026 -5.671 9.953 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.502 -5.283 10.086 1.00 0.00 N ATOM 1651 CA VAL A 111 -15.930 -5.229 10.348 1.00 0.00 C ATOM 1652 C VAL A 111 -16.254 -3.948 11.120 1.00 0.00 C ATOM 1653 O VAL A 111 -15.482 -3.524 11.978 1.00 0.00 O ATOM 1654 CB VAL A 111 -16.377 -6.496 11.079 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -15.603 -6.676 12.387 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -17.885 -6.481 11.332 1.00 0.00 C ATOM 0 H VAL A 111 -13.947 -4.606 10.609 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.489 -5.196 9.413 1.00 0.00 H new ATOM 0 HB VAL A 111 -16.154 -7.349 10.437 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -15.940 -7.584 12.887 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.537 -6.755 12.171 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -15.780 -5.818 13.035 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -18.176 -7.393 11.853 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -18.143 -5.616 11.943 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -18.413 -6.423 10.380 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.428 -3.352 10.777 1.00 0.00 N ATOM 1667 CA PRO A 112 -17.864 -2.128 11.428 1.00 0.00 C ATOM 1668 C PRO A 112 -18.380 -2.412 12.840 1.00 0.00 C ATOM 1669 O PRO A 112 -19.256 -3.255 13.027 1.00 0.00 O ATOM 1670 CB PRO A 112 -18.930 -1.553 10.510 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.381 -2.702 9.623 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.367 -3.826 9.765 1.00 0.00 C ATOM 0 HA PRO A 112 -17.052 -1.414 11.570 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.765 -1.152 11.084 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.531 -0.733 9.914 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.374 -3.044 9.916 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.449 -2.378 8.584 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -18.846 -4.755 10.074 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.863 -4.026 8.820 1.00 0.00 H new ATOM 1680 N PRO A 113 -17.800 -1.673 13.823 1.00 0.00 N ATOM 1681 CA PRO A 113 -18.193 -1.837 15.213 1.00 0.00 C ATOM 1682 C PRO A 113 -19.552 -1.188 15.479 1.00 0.00 C ATOM 1683 O PRO A 113 -20.256 -1.572 16.412 1.00 0.00 O ATOM 1684 CB PRO A 113 -17.066 -1.208 16.017 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.316 -0.307 15.049 1.00 0.00 C ATOM 1686 CD PRO A 113 -16.760 -0.666 13.640 1.00 0.00 C ATOM 0 HA PRO A 113 -18.328 -2.882 15.492 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.458 -0.637 16.858 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.407 -1.972 16.430 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.528 0.741 15.261 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.240 -0.443 15.157 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -17.143 0.207 13.111 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -15.930 -1.057 13.051 1.00 0.00 H new