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 91:sc= 0.591 USER MOD Set 1.2: A 87 TYR OH : rot 174:sc= -0.0794 USER MOD Set 2.1: A 67 HIS : no HE2:sc= -6.11! C(o=-6.7!,f=-8.9!) USER MOD Set 2.2: A 76 TYR OH : rot -25:sc= -0.572! USER MOD Single : A 23 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-0.72) 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 180:sc= -0.611 USER MOD Single : A 35 LYS NZ :NH3+ -145:sc= -0.337 (180deg=-2.43!) USER MOD Single : A 37 SER OG : rot 151:sc= -1.22 USER MOD Single : A 39 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.42) USER MOD Single : A 44 LYS NZ :NH3+ 163:sc= 0.0793 (180deg=0.0253) USER MOD Single : A 45 ASN : amide:sc= -2.56! C(o=-2.6!,f=-2.2!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00683 USER MOD Single : A 51 TYR OH : rot 30:sc= -1.23 USER MOD Single : A 54 SER OG : rot 180:sc= -0.135 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc=-0.00661 K(o=-0.0066,f=-0.74) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0438 K(o=-0.044,f=-0.81) USER MOD Single : A 63 THR OG1 : rot 63:sc= 0.633 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= -0.364 K(o=-0.36,f=-3.4!) 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 76:sc= 0.214 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc=-0.00213 USER MOD Single : A 94 MET CE :methyl -172:sc= 0 (180deg=-0.117) USER MOD Single : A 95 THR OG1 : rot 132:sc= -1.89 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= -0.407 X(o=-0.41,f=0) USER MOD Single : A 101 GLN : amide:sc= -0.625 X(o=-0.63,f=-0.8) 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 -56:sc= 0.0404 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -157:sc= -0.0916! USER MOD ----------------------------------------------------------------- ATOM 202 N ASP A 16 16.598 -0.701 -13.127 1.00 0.00 N ATOM 203 CA ASP A 16 17.408 -0.053 -12.109 1.00 0.00 C ATOM 204 C ASP A 16 16.615 0.021 -10.803 1.00 0.00 C ATOM 205 O ASP A 16 17.064 -0.474 -9.771 1.00 0.00 O ATOM 206 CB ASP A 16 17.773 1.374 -12.522 1.00 0.00 C ATOM 207 CG ASP A 16 18.801 2.064 -11.623 1.00 0.00 C ATOM 208 OD1 ASP A 16 18.406 2.445 -10.500 1.00 0.00 O ATOM 209 OD2 ASP A 16 19.957 2.195 -12.079 1.00 0.00 O ATOM 0 HA ASP A 16 18.320 -0.636 -11.982 1.00 0.00 H new ATOM 0 HB2 ASP A 16 18.159 1.354 -13.541 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.864 1.976 -12.537 1.00 0.00 H new ATOM 214 N VAL A 17 15.448 0.643 -10.891 1.00 0.00 N ATOM 215 CA VAL A 17 14.588 0.788 -9.729 1.00 0.00 C ATOM 216 C VAL A 17 14.567 -0.527 -8.948 1.00 0.00 C ATOM 217 O VAL A 17 14.972 -1.568 -9.465 1.00 0.00 O ATOM 218 CB VAL A 17 13.195 1.247 -10.164 1.00 0.00 C ATOM 219 CG1 VAL A 17 13.154 2.764 -10.360 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.748 0.518 -11.432 1.00 0.00 C ATOM 0 H VAL A 17 15.078 1.052 -11.749 1.00 0.00 H new ATOM 0 HA VAL A 17 14.975 1.557 -9.060 1.00 0.00 H new ATOM 0 HB VAL A 17 12.495 0.993 -9.368 1.00 0.00 H new ATOM 0 HG11 VAL A 17 12.153 3.064 -10.669 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.408 3.259 -9.423 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.872 3.051 -11.128 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.755 0.863 -11.719 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.451 0.726 -12.238 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.719 -0.555 -11.244 1.00 0.00 H new ATOM 230 N PRO A 18 14.079 -0.436 -7.682 1.00 0.00 N ATOM 231 CA PRO A 18 14.000 -1.606 -6.824 1.00 0.00 C ATOM 232 C PRO A 18 12.843 -2.516 -7.242 1.00 0.00 C ATOM 233 O PRO A 18 12.125 -2.215 -8.195 1.00 0.00 O ATOM 234 CB PRO A 18 13.843 -1.053 -5.417 1.00 0.00 C ATOM 235 CG PRO A 18 13.374 0.383 -5.584 1.00 0.00 C ATOM 236 CD PRO A 18 13.591 0.779 -7.036 1.00 0.00 C ATOM 0 HA PRO A 18 14.886 -2.238 -6.892 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.120 -1.636 -4.846 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.787 -1.095 -4.873 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.321 0.474 -5.317 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.930 1.046 -4.921 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.665 1.127 -7.494 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.314 1.591 -7.121 1.00 0.00 H new ATOM 244 N GLY A 19 12.697 -3.609 -6.508 1.00 0.00 N ATOM 245 CA GLY A 19 11.639 -4.564 -6.790 1.00 0.00 C ATOM 246 C GLY A 19 10.474 -4.398 -5.812 1.00 0.00 C ATOM 247 O GLY A 19 10.202 -3.292 -5.347 1.00 0.00 O ATOM 0 H GLY A 19 13.294 -3.855 -5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.283 -4.427 -7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.033 -5.578 -6.723 1.00 0.00 H new ATOM 251 N PRO A 20 9.801 -5.543 -5.520 1.00 0.00 N ATOM 252 CA PRO A 20 8.672 -5.534 -4.605 1.00 0.00 C ATOM 253 C PRO A 20 9.142 -5.401 -3.155 1.00 0.00 C ATOM 254 O PRO A 20 9.985 -6.172 -2.699 1.00 0.00 O ATOM 255 CB PRO A 20 7.939 -6.838 -4.873 1.00 0.00 C ATOM 256 CG PRO A 20 8.933 -7.736 -5.591 1.00 0.00 C ATOM 257 CD PRO A 20 10.095 -6.870 -6.051 1.00 0.00 C ATOM 0 HA PRO A 20 8.012 -4.681 -4.761 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.602 -7.295 -3.942 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.053 -6.669 -5.485 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.285 -8.525 -4.926 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.460 -8.225 -6.443 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.045 -7.247 -5.671 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.171 -6.854 -7.138 1.00 0.00 H new ATOM 265 N VAL A 21 8.577 -4.417 -2.472 1.00 0.00 N ATOM 266 CA VAL A 21 8.928 -4.172 -1.083 1.00 0.00 C ATOM 267 C VAL A 21 8.756 -5.465 -0.283 1.00 0.00 C ATOM 268 O VAL A 21 8.499 -6.523 -0.854 1.00 0.00 O ATOM 269 CB VAL A 21 8.098 -3.011 -0.530 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.577 -1.675 -1.101 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.608 -3.223 -0.804 1.00 0.00 C ATOM 0 H VAL A 21 7.878 -3.780 -2.854 1.00 0.00 H new ATOM 0 HA VAL A 21 9.973 -3.875 -1.000 1.00 0.00 H new ATOM 0 HB VAL A 21 8.238 -2.983 0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.971 -0.866 -0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.621 -1.518 -0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.480 -1.688 -2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.041 -2.384 -0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.442 -3.290 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.278 -4.146 -0.327 1.00 0.00 H new ATOM 281 N GLY A 22 8.904 -5.336 1.028 1.00 0.00 N ATOM 282 CA GLY A 22 8.768 -6.480 1.912 1.00 0.00 C ATOM 283 C GLY A 22 7.405 -7.153 1.733 1.00 0.00 C ATOM 284 O GLY A 22 6.729 -6.935 0.729 1.00 0.00 O ATOM 0 H GLY A 22 9.117 -4.456 1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.562 -7.198 1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.886 -6.160 2.947 1.00 0.00 H new ATOM 288 N HIS A 23 7.043 -7.958 2.721 1.00 0.00 N ATOM 289 CA HIS A 23 5.774 -8.664 2.685 1.00 0.00 C ATOM 290 C HIS A 23 4.664 -7.752 3.213 1.00 0.00 C ATOM 291 O HIS A 23 4.745 -7.256 4.336 1.00 0.00 O ATOM 292 CB HIS A 23 5.867 -9.987 3.447 1.00 0.00 C ATOM 293 CG HIS A 23 5.395 -9.906 4.879 1.00 0.00 C ATOM 294 ND1 HIS A 23 4.333 -10.651 5.362 1.00 0.00 N ATOM 295 CD2 HIS A 23 5.852 -9.161 5.927 1.00 0.00 C ATOM 296 CE1 HIS A 23 4.167 -10.359 6.644 1.00 0.00 C ATOM 297 NE2 HIS A 23 5.108 -9.435 6.992 1.00 0.00 N ATOM 0 H HIS A 23 7.607 -8.137 3.552 1.00 0.00 H new ATOM 0 HA HIS A 23 5.526 -8.921 1.655 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.277 -10.739 2.923 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.902 -10.329 3.435 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.678 -8.466 5.895 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.418 -10.779 7.299 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.221 -9.022 7.918 1.00 0.00 H new ATOM 305 N LEU A 24 3.654 -7.559 2.378 1.00 0.00 N ATOM 306 CA LEU A 24 2.530 -6.716 2.746 1.00 0.00 C ATOM 307 C LEU A 24 1.893 -7.254 4.029 1.00 0.00 C ATOM 308 O LEU A 24 1.729 -8.463 4.184 1.00 0.00 O ATOM 309 CB LEU A 24 1.549 -6.590 1.578 1.00 0.00 C ATOM 310 CG LEU A 24 1.595 -5.272 0.802 1.00 0.00 C ATOM 311 CD1 LEU A 24 0.805 -4.181 1.527 1.00 0.00 C ATOM 312 CD2 LEU A 24 3.040 -4.848 0.528 1.00 0.00 C ATOM 0 H LEU A 24 3.591 -7.972 1.448 1.00 0.00 H new ATOM 0 HA LEU A 24 2.868 -5.702 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.739 -7.406 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.538 -6.727 1.962 1.00 0.00 H new ATOM 0 HG LEU A 24 1.116 -5.427 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.854 -3.255 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.235 -4.491 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.233 -4.019 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.045 -3.909 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.566 -4.716 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.540 -5.618 -0.060 1.00 0.00 H new ATOM 324 N SER A 25 1.551 -6.330 4.915 1.00 0.00 N ATOM 325 CA SER A 25 0.936 -6.697 6.179 1.00 0.00 C ATOM 326 C SER A 25 -0.139 -5.675 6.554 1.00 0.00 C ATOM 327 O SER A 25 -0.050 -4.508 6.175 1.00 0.00 O ATOM 328 CB SER A 25 1.981 -6.799 7.291 1.00 0.00 C ATOM 329 OG SER A 25 1.541 -7.628 8.363 1.00 0.00 O ATOM 0 H SER A 25 1.688 -5.328 4.782 1.00 0.00 H new ATOM 0 HA SER A 25 0.473 -7.677 6.062 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.909 -7.198 6.881 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.204 -5.802 7.672 1.00 0.00 H new ATOM 0 HG SER A 25 2.237 -7.669 9.052 1.00 0.00 H new ATOM 335 N PHE A 26 -1.130 -6.150 7.293 1.00 0.00 N ATOM 336 CA PHE A 26 -2.221 -5.292 7.723 1.00 0.00 C ATOM 337 C PHE A 26 -2.604 -5.579 9.177 1.00 0.00 C ATOM 338 O PHE A 26 -2.620 -6.733 9.602 1.00 0.00 O ATOM 339 CB PHE A 26 -3.418 -5.604 6.822 1.00 0.00 C ATOM 340 CG PHE A 26 -3.149 -5.382 5.332 1.00 0.00 C ATOM 341 CD1 PHE A 26 -2.550 -4.236 4.913 1.00 0.00 C ATOM 342 CD2 PHE A 26 -3.510 -6.332 4.428 1.00 0.00 C ATOM 343 CE1 PHE A 26 -2.300 -4.030 3.530 1.00 0.00 C ATOM 344 CE2 PHE A 26 -3.260 -6.126 3.045 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.661 -4.980 2.625 1.00 0.00 C ATOM 0 H PHE A 26 -1.201 -7.118 7.605 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.921 -4.246 7.654 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.716 -6.641 6.977 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.260 -4.982 7.125 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.264 -3.482 5.632 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.986 -7.242 4.761 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.824 -3.120 3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.546 -6.880 2.327 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.472 -4.824 1.573 1.00 0.00 H new ATOM 355 N SER A 27 -2.904 -4.509 9.898 1.00 0.00 N ATOM 356 CA SER A 27 -3.286 -4.631 11.295 1.00 0.00 C ATOM 357 C SER A 27 -4.304 -3.548 11.656 1.00 0.00 C ATOM 358 O SER A 27 -4.590 -2.666 10.847 1.00 0.00 O ATOM 359 CB SER A 27 -2.063 -4.537 12.210 1.00 0.00 C ATOM 360 OG SER A 27 -1.099 -5.546 11.919 1.00 0.00 O ATOM 0 H SER A 27 -2.890 -3.553 9.541 1.00 0.00 H new ATOM 0 HA SER A 27 -3.741 -5.611 11.441 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.604 -3.555 12.101 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.380 -4.627 13.249 1.00 0.00 H new ATOM 0 HG SER A 27 -0.333 -5.451 12.523 1.00 0.00 H new ATOM 366 N GLU A 28 -4.822 -3.649 12.871 1.00 0.00 N ATOM 367 CA GLU A 28 -5.802 -2.688 13.349 1.00 0.00 C ATOM 368 C GLU A 28 -6.818 -2.374 12.248 1.00 0.00 C ATOM 369 O GLU A 28 -7.081 -1.208 11.957 1.00 0.00 O ATOM 370 CB GLU A 28 -5.121 -1.412 13.847 1.00 0.00 C ATOM 371 CG GLU A 28 -4.302 -1.686 15.110 1.00 0.00 C ATOM 372 CD GLU A 28 -4.704 -0.737 16.241 1.00 0.00 C ATOM 373 OE1 GLU A 28 -4.667 0.488 15.995 1.00 0.00 O ATOM 374 OE2 GLU A 28 -5.040 -1.259 17.327 1.00 0.00 O ATOM 0 H GLU A 28 -4.582 -4.381 13.539 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.334 -3.129 14.192 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.472 -1.014 13.067 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.873 -0.651 14.055 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.450 -2.718 15.427 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.241 -1.569 14.892 1.00 0.00 H new ATOM 381 N ILE A 29 -7.360 -3.434 11.667 1.00 0.00 N ATOM 382 CA ILE A 29 -8.340 -3.285 10.605 1.00 0.00 C ATOM 383 C ILE A 29 -9.727 -3.085 11.221 1.00 0.00 C ATOM 384 O ILE A 29 -10.096 -3.780 12.167 1.00 0.00 O ATOM 385 CB ILE A 29 -8.263 -4.466 9.635 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.811 -4.785 9.275 1.00 0.00 C ATOM 387 CG2 ILE A 29 -9.120 -4.213 8.393 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.724 -5.490 7.920 1.00 0.00 C ATOM 0 H ILE A 29 -7.139 -4.399 11.912 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.124 -2.398 10.009 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.672 -5.345 10.133 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.229 -3.864 9.248 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.372 -5.417 10.047 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.047 -5.068 7.720 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.159 -4.073 8.690 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.765 -3.318 7.882 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.681 -5.705 7.688 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.287 -6.422 7.958 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.142 -4.845 7.147 1.00 0.00 H new ATOM 400 N LEU A 30 -10.456 -2.133 10.660 1.00 0.00 N ATOM 401 CA LEU A 30 -11.794 -1.832 11.142 1.00 0.00 C ATOM 402 C LEU A 30 -12.809 -2.130 10.037 1.00 0.00 C ATOM 403 O LEU A 30 -12.857 -3.244 9.517 1.00 0.00 O ATOM 404 CB LEU A 30 -11.863 -0.398 11.671 1.00 0.00 C ATOM 405 CG LEU A 30 -11.011 -0.096 12.905 1.00 0.00 C ATOM 406 CD1 LEU A 30 -11.370 -1.031 14.062 1.00 0.00 C ATOM 407 CD2 LEU A 30 -9.519 -0.149 12.567 1.00 0.00 C ATOM 0 H LEU A 30 -10.146 -1.559 9.876 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.047 -2.471 11.988 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.561 0.278 10.871 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.902 -0.168 11.907 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.232 0.920 13.232 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.750 -0.795 14.927 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.420 -0.901 14.323 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.196 -2.064 13.762 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.935 0.069 13.461 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.264 -1.144 12.201 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.294 0.589 11.798 1.00 0.00 H new ATOM 419 N ASP A 31 -13.595 -1.115 9.710 1.00 0.00 N ATOM 420 CA ASP A 31 -14.606 -1.254 8.676 1.00 0.00 C ATOM 421 C ASP A 31 -14.156 -0.498 7.424 1.00 0.00 C ATOM 422 O ASP A 31 -14.477 -0.896 6.305 1.00 0.00 O ATOM 423 CB ASP A 31 -15.943 -0.664 9.130 1.00 0.00 C ATOM 424 CG ASP A 31 -15.834 0.587 10.004 1.00 0.00 C ATOM 425 OD1 ASP A 31 -14.978 0.569 10.915 1.00 0.00 O ATOM 426 OD2 ASP A 31 -16.609 1.532 9.742 1.00 0.00 O ATOM 0 H ASP A 31 -13.552 -0.193 10.143 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.733 -2.317 8.469 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.535 -0.422 8.247 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.491 -1.428 9.682 1.00 0.00 H new ATOM 431 N THR A 32 -13.419 0.579 7.655 1.00 0.00 N ATOM 432 CA THR A 32 -12.922 1.394 6.559 1.00 0.00 C ATOM 433 C THR A 32 -11.585 2.036 6.936 1.00 0.00 C ATOM 434 O THR A 32 -11.230 3.091 6.415 1.00 0.00 O ATOM 435 CB THR A 32 -14.005 2.413 6.199 1.00 0.00 C ATOM 436 OG1 THR A 32 -13.997 3.329 7.290 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.411 1.810 6.230 1.00 0.00 C ATOM 0 H THR A 32 -13.154 0.906 8.584 1.00 0.00 H new ATOM 0 HA THR A 32 -12.719 0.788 5.676 1.00 0.00 H new ATOM 0 HB THR A 32 -13.806 2.818 5.207 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.670 4.025 7.137 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.141 2.575 5.967 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.471 0.990 5.514 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.624 1.434 7.231 1.00 0.00 H new ATOM 445 N SER A 33 -10.880 1.371 7.840 1.00 0.00 N ATOM 446 CA SER A 33 -9.590 1.863 8.292 1.00 0.00 C ATOM 447 C SER A 33 -8.686 0.688 8.673 1.00 0.00 C ATOM 448 O SER A 33 -9.079 -0.173 9.458 1.00 0.00 O ATOM 449 CB SER A 33 -9.750 2.815 9.479 1.00 0.00 C ATOM 450 OG SER A 33 -10.781 2.393 10.368 1.00 0.00 O ATOM 0 H SER A 33 -11.178 0.496 8.271 1.00 0.00 H new ATOM 0 HA SER A 33 -9.129 2.418 7.474 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.807 2.879 10.022 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.975 3.817 9.112 1.00 0.00 H new ATOM 0 HG SER A 33 -10.850 3.026 11.113 1.00 0.00 H new ATOM 456 N LEU A 34 -7.492 0.692 8.098 1.00 0.00 N ATOM 457 CA LEU A 34 -6.530 -0.363 8.366 1.00 0.00 C ATOM 458 C LEU A 34 -5.114 0.183 8.172 1.00 0.00 C ATOM 459 O LEU A 34 -4.896 1.075 7.353 1.00 0.00 O ATOM 460 CB LEU A 34 -6.835 -1.597 7.515 1.00 0.00 C ATOM 461 CG LEU A 34 -6.613 -1.445 6.009 1.00 0.00 C ATOM 462 CD1 LEU A 34 -5.137 -1.626 5.651 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.515 -2.399 5.223 1.00 0.00 C ATOM 0 H LEU A 34 -7.169 1.409 7.448 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.606 -0.693 9.402 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.218 -2.421 7.872 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.874 -1.881 7.682 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.891 -0.430 5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.007 -1.513 4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.542 -0.874 6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.808 -2.620 5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.337 -2.271 4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.292 -3.427 5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.559 -2.179 5.446 1.00 0.00 H new ATOM 475 N LYS A 35 -4.188 -0.374 8.938 1.00 0.00 N ATOM 476 CA LYS A 35 -2.799 0.046 8.860 1.00 0.00 C ATOM 477 C LYS A 35 -2.048 -0.868 7.890 1.00 0.00 C ATOM 478 O LYS A 35 -2.248 -2.082 7.894 1.00 0.00 O ATOM 479 CB LYS A 35 -2.178 0.104 10.257 1.00 0.00 C ATOM 480 CG LYS A 35 -0.986 1.063 10.287 1.00 0.00 C ATOM 481 CD LYS A 35 0.271 0.393 9.728 1.00 0.00 C ATOM 482 CE LYS A 35 1.215 -0.029 10.856 1.00 0.00 C ATOM 483 NZ LYS A 35 1.498 1.116 11.751 1.00 0.00 N ATOM 0 H LYS A 35 -4.372 -1.113 9.616 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.729 1.059 8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.928 0.427 10.979 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.855 -0.893 10.557 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.217 1.954 9.704 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.803 1.390 11.311 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.009 -0.480 9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.786 1.080 9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.768 -0.843 11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.146 -0.409 10.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.478 1.055 12.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.368 2.006 11.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.846 1.093 12.561 1.00 0.00 H new ATOM 497 N VAL A 36 -1.199 -0.250 7.082 1.00 0.00 N ATOM 498 CA VAL A 36 -0.417 -0.993 6.109 1.00 0.00 C ATOM 499 C VAL A 36 1.064 -0.919 6.487 1.00 0.00 C ATOM 500 O VAL A 36 1.577 0.156 6.792 1.00 0.00 O ATOM 501 CB VAL A 36 -0.701 -0.470 4.699 1.00 0.00 C ATOM 502 CG1 VAL A 36 0.234 -1.116 3.675 1.00 0.00 C ATOM 503 CG2 VAL A 36 -2.167 -0.688 4.318 1.00 0.00 C ATOM 0 H VAL A 36 -1.036 0.757 7.081 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.702 -2.045 6.114 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.510 0.603 4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.011 -0.727 2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.268 -0.886 3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.090 -2.196 3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.342 -0.307 3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.396 -1.753 4.348 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.809 -0.159 5.023 1.00 0.00 H new ATOM 513 N SER A 37 1.709 -2.076 6.454 1.00 0.00 N ATOM 514 CA SER A 37 3.120 -2.155 6.789 1.00 0.00 C ATOM 515 C SER A 37 3.856 -3.014 5.758 1.00 0.00 C ATOM 516 O SER A 37 3.282 -3.948 5.200 1.00 0.00 O ATOM 517 CB SER A 37 3.321 -2.725 8.195 1.00 0.00 C ATOM 518 OG SER A 37 2.399 -3.773 8.483 1.00 0.00 O ATOM 0 H SER A 37 1.280 -2.966 6.200 1.00 0.00 H new ATOM 0 HA SER A 37 3.532 -1.146 6.772 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.339 -3.101 8.291 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.205 -1.928 8.929 1.00 0.00 H new ATOM 0 HG SER A 37 2.804 -4.399 9.119 1.00 0.00 H new ATOM 524 N TRP A 38 5.115 -2.667 5.537 1.00 0.00 N ATOM 525 CA TRP A 38 5.935 -3.395 4.583 1.00 0.00 C ATOM 526 C TRP A 38 7.393 -3.287 5.033 1.00 0.00 C ATOM 527 O TRP A 38 7.693 -2.621 6.023 1.00 0.00 O ATOM 528 CB TRP A 38 5.709 -2.879 3.160 1.00 0.00 C ATOM 529 CG TRP A 38 6.014 -1.390 2.982 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.186 -0.819 2.672 1.00 0.00 C ATOM 531 CD2 TRP A 38 5.079 -0.299 3.118 1.00 0.00 C ATOM 532 NE1 TRP A 38 7.075 0.554 2.598 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.753 0.880 2.877 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.708 -0.309 3.433 1.00 0.00 C ATOM 535 CZ2 TRP A 38 5.139 2.138 2.927 1.00 0.00 C ATOM 536 CZ3 TRP A 38 3.110 0.956 3.478 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.775 2.153 3.239 1.00 0.00 C ATOM 0 H TRP A 38 5.588 -1.892 6.002 1.00 0.00 H new ATOM 0 HA TRP A 38 5.655 -4.448 4.559 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.333 -3.452 2.474 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.672 -3.063 2.878 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.102 -1.365 2.502 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.825 1.209 2.379 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.160 -1.220 3.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.689 3.048 2.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 2.058 1.005 3.715 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.241 3.090 3.294 1.00 0.00 H new ATOM 548 N GLN A 39 8.261 -3.953 4.286 1.00 0.00 N ATOM 549 CA GLN A 39 9.680 -3.940 4.596 1.00 0.00 C ATOM 550 C GLN A 39 10.483 -3.448 3.389 1.00 0.00 C ATOM 551 O GLN A 39 9.910 -3.109 2.355 1.00 0.00 O ATOM 552 CB GLN A 39 10.156 -5.323 5.044 1.00 0.00 C ATOM 553 CG GLN A 39 10.526 -5.321 6.529 1.00 0.00 C ATOM 554 CD GLN A 39 11.834 -4.565 6.767 1.00 0.00 C ATOM 555 OE1 GLN A 39 12.907 -4.988 6.369 1.00 0.00 O ATOM 556 NE2 GLN A 39 11.686 -3.425 7.436 1.00 0.00 N ATOM 0 H GLN A 39 8.009 -4.505 3.466 1.00 0.00 H new ATOM 0 HA GLN A 39 9.845 -3.250 5.423 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.372 -6.058 4.862 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.019 -5.624 4.451 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.725 -4.860 7.106 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.625 -6.347 6.884 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.759 -3.129 7.740 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.500 -2.847 7.645 1.00 0.00 H new ATOM 565 N GLU A 40 11.796 -3.426 3.562 1.00 0.00 N ATOM 566 CA GLU A 40 12.683 -2.981 2.500 1.00 0.00 C ATOM 567 C GLU A 40 12.864 -4.090 1.461 1.00 0.00 C ATOM 568 O GLU A 40 12.970 -5.264 1.812 1.00 0.00 O ATOM 569 CB GLU A 40 14.033 -2.534 3.065 1.00 0.00 C ATOM 570 CG GLU A 40 14.253 -1.037 2.839 1.00 0.00 C ATOM 571 CD GLU A 40 15.236 -0.466 3.863 1.00 0.00 C ATOM 572 OE1 GLU A 40 15.617 -1.234 4.772 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.584 0.725 3.712 1.00 0.00 O ATOM 0 H GLU A 40 12.267 -3.709 4.421 1.00 0.00 H new ATOM 0 HA GLU A 40 12.228 -2.120 2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.076 -2.755 4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.835 -3.099 2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.634 -0.870 1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.301 -0.511 2.911 1.00 0.00 H new ATOM 580 N PRO A 41 12.894 -3.666 0.169 1.00 0.00 N ATOM 581 CA PRO A 41 13.060 -4.610 -0.924 1.00 0.00 C ATOM 582 C PRO A 41 14.508 -5.096 -1.013 1.00 0.00 C ATOM 583 O PRO A 41 15.434 -4.370 -0.655 1.00 0.00 O ATOM 584 CB PRO A 41 12.609 -3.857 -2.165 1.00 0.00 C ATOM 585 CG PRO A 41 12.648 -2.383 -1.796 1.00 0.00 C ATOM 586 CD PRO A 41 12.772 -2.284 -0.284 1.00 0.00 C ATOM 0 HA PRO A 41 12.472 -5.518 -0.789 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.267 -4.066 -3.009 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.604 -4.159 -2.461 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.491 -1.890 -2.281 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.744 -1.880 -2.139 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.642 -1.695 0.004 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.899 -1.799 0.154 1.00 0.00 H new ATOM 594 N GLY A 42 14.658 -6.322 -1.493 1.00 0.00 N ATOM 595 CA GLY A 42 15.977 -6.914 -1.634 1.00 0.00 C ATOM 596 C GLY A 42 16.767 -6.234 -2.754 1.00 0.00 C ATOM 597 O GLY A 42 17.986 -6.092 -2.662 1.00 0.00 O ATOM 0 H GLY A 42 13.888 -6.921 -1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.522 -6.825 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.881 -7.979 -1.847 1.00 0.00 H new ATOM 601 N GLU A 43 16.041 -5.830 -3.786 1.00 0.00 N ATOM 602 CA GLU A 43 16.658 -5.168 -4.922 1.00 0.00 C ATOM 603 C GLU A 43 16.742 -3.660 -4.677 1.00 0.00 C ATOM 604 O GLU A 43 16.383 -2.865 -5.544 1.00 0.00 O ATOM 605 CB GLU A 43 15.897 -5.471 -6.214 1.00 0.00 C ATOM 606 CG GLU A 43 16.155 -6.906 -6.678 1.00 0.00 C ATOM 607 CD GLU A 43 17.652 -7.164 -6.856 1.00 0.00 C ATOM 608 OE1 GLU A 43 18.253 -6.461 -7.697 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.162 -8.058 -6.147 1.00 0.00 O ATOM 0 H GLU A 43 15.031 -5.949 -3.859 1.00 0.00 H new ATOM 0 HA GLU A 43 17.671 -5.555 -5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.829 -5.323 -6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.203 -4.772 -6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 43 15.746 -7.606 -5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.637 -7.086 -7.620 1.00 0.00 H new ATOM 616 N LYS A 44 17.219 -3.311 -3.490 1.00 0.00 N ATOM 617 CA LYS A 44 17.354 -1.913 -3.120 1.00 0.00 C ATOM 618 C LYS A 44 17.843 -1.114 -4.330 1.00 0.00 C ATOM 619 O LYS A 44 17.464 0.042 -4.510 1.00 0.00 O ATOM 620 CB LYS A 44 18.248 -1.770 -1.886 1.00 0.00 C ATOM 621 CG LYS A 44 17.536 -2.280 -0.631 1.00 0.00 C ATOM 622 CD LYS A 44 18.150 -1.672 0.632 1.00 0.00 C ATOM 623 CE LYS A 44 17.184 -1.774 1.814 1.00 0.00 C ATOM 624 NZ LYS A 44 17.784 -2.571 2.906 1.00 0.00 N ATOM 0 H LYS A 44 17.516 -3.973 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 44 16.387 -1.499 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 44 19.173 -2.327 -2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.524 -0.724 -1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.477 -2.029 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.604 -3.367 -0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 44 19.080 -2.186 0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.401 -0.627 0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.938 -0.776 2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.251 -2.235 1.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.263 -2.397 3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.733 -3.582 2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.779 -2.295 3.031 1.00 0.00 H new ATOM 638 N ASN A 45 18.679 -1.763 -5.128 1.00 0.00 N ATOM 639 CA ASN A 45 19.224 -1.128 -6.316 1.00 0.00 C ATOM 640 C ASN A 45 19.587 0.323 -5.992 1.00 0.00 C ATOM 641 O ASN A 45 19.562 1.184 -6.870 1.00 0.00 O ATOM 642 CB ASN A 45 18.200 -1.116 -7.453 1.00 0.00 C ATOM 643 CG ASN A 45 18.511 -2.204 -8.483 1.00 0.00 C ATOM 644 OD1 ASN A 45 19.508 -2.162 -9.186 1.00 0.00 O ATOM 645 ND2 ASN A 45 17.606 -3.177 -8.532 1.00 0.00 N ATOM 0 H ASN A 45 18.992 -2.722 -4.975 1.00 0.00 H new ATOM 0 HA ASN A 45 20.103 -1.693 -6.628 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.200 -1.269 -7.048 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.201 -0.140 -7.938 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.723 -3.950 -9.187 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.794 -3.150 -7.915 1.00 0.00 H new ATOM 652 N GLY A 46 19.917 0.549 -4.729 1.00 0.00 N ATOM 653 CA GLY A 46 20.285 1.880 -4.278 1.00 0.00 C ATOM 654 C GLY A 46 19.665 2.188 -2.913 1.00 0.00 C ATOM 655 O GLY A 46 19.346 1.276 -2.152 1.00 0.00 O ATOM 0 H GLY A 46 19.937 -0.168 -4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.370 1.959 -4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 46 19.954 2.619 -5.007 1.00 0.00 H new ATOM 659 N ILE A 47 19.512 3.477 -2.646 1.00 0.00 N ATOM 660 CA ILE A 47 18.936 3.916 -1.386 1.00 0.00 C ATOM 661 C ILE A 47 17.578 4.568 -1.652 1.00 0.00 C ATOM 662 O ILE A 47 17.508 5.745 -2.005 1.00 0.00 O ATOM 663 CB ILE A 47 19.916 4.820 -0.635 1.00 0.00 C ATOM 664 CG1 ILE A 47 21.196 4.063 -0.277 1.00 0.00 C ATOM 665 CG2 ILE A 47 19.254 5.442 0.596 1.00 0.00 C ATOM 666 CD1 ILE A 47 22.052 3.815 -1.521 1.00 0.00 C ATOM 0 H ILE A 47 19.777 4.231 -3.280 1.00 0.00 H new ATOM 0 HA ILE A 47 18.758 3.064 -0.730 1.00 0.00 H new ATOM 0 HB ILE A 47 20.201 5.639 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.768 4.634 0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 47 20.942 3.111 0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.972 6.080 1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.396 6.038 0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.922 4.652 1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.956 3.275 -1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 47 21.486 3.223 -2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 47 22.325 4.769 -1.971 1.00 0.00 H new ATOM 678 N LEU A 48 16.531 3.776 -1.472 1.00 0.00 N ATOM 679 CA LEU A 48 15.179 4.261 -1.688 1.00 0.00 C ATOM 680 C LEU A 48 15.062 5.688 -1.150 1.00 0.00 C ATOM 681 O LEU A 48 15.599 6.001 -0.088 1.00 0.00 O ATOM 682 CB LEU A 48 14.159 3.292 -1.087 1.00 0.00 C ATOM 683 CG LEU A 48 14.521 1.807 -1.161 1.00 0.00 C ATOM 684 CD1 LEU A 48 15.187 1.471 -2.497 1.00 0.00 C ATOM 685 CD2 LEU A 48 15.386 1.393 0.031 1.00 0.00 C ATOM 0 H LEU A 48 16.592 2.801 -1.179 1.00 0.00 H new ATOM 0 HA LEU A 48 14.955 4.302 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.008 3.557 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.205 3.439 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 48 13.599 1.228 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.434 0.410 -2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.504 1.705 -3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 48 16.098 2.059 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.629 0.333 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.306 1.977 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.840 1.573 0.957 1.00 0.00 H new ATOM 697 N THR A 49 14.357 6.516 -1.907 1.00 0.00 N ATOM 698 CA THR A 49 14.163 7.903 -1.520 1.00 0.00 C ATOM 699 C THR A 49 12.723 8.131 -1.056 1.00 0.00 C ATOM 700 O THR A 49 12.351 9.248 -0.699 1.00 0.00 O ATOM 701 CB THR A 49 14.567 8.786 -2.702 1.00 0.00 C ATOM 702 OG1 THR A 49 13.799 8.281 -3.791 1.00 0.00 O ATOM 703 CG2 THR A 49 16.018 8.559 -3.134 1.00 0.00 C ATOM 0 H THR A 49 13.913 6.253 -2.787 1.00 0.00 H new ATOM 0 HA THR A 49 14.791 8.167 -0.669 1.00 0.00 H new ATOM 0 HB THR A 49 14.427 9.834 -2.436 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.998 8.798 -4.599 1.00 0.00 H new ATOM 0 HG21 THR A 49 16.253 9.210 -3.976 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.685 8.786 -2.302 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.150 7.519 -3.432 1.00 0.00 H new ATOM 711 N GLY A 50 11.952 7.054 -1.075 1.00 0.00 N ATOM 712 CA GLY A 50 10.561 7.122 -0.661 1.00 0.00 C ATOM 713 C GLY A 50 9.807 5.852 -1.061 1.00 0.00 C ATOM 714 O GLY A 50 10.368 4.972 -1.711 1.00 0.00 O ATOM 0 H GLY A 50 12.264 6.129 -1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.506 7.257 0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.085 7.991 -1.116 1.00 0.00 H new ATOM 718 N TYR A 51 8.546 5.799 -0.656 1.00 0.00 N ATOM 719 CA TYR A 51 7.710 4.652 -0.965 1.00 0.00 C ATOM 720 C TYR A 51 6.307 5.094 -1.386 1.00 0.00 C ATOM 721 O TYR A 51 5.676 5.901 -0.705 1.00 0.00 O ATOM 722 CB TYR A 51 7.609 3.843 0.330 1.00 0.00 C ATOM 723 CG TYR A 51 8.853 3.007 0.640 1.00 0.00 C ATOM 724 CD1 TYR A 51 9.102 1.850 -0.070 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.727 3.411 1.629 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.272 1.064 0.222 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.898 2.625 1.920 1.00 0.00 C ATOM 728 CZ TYR A 51 11.113 1.490 1.202 1.00 0.00 C ATOM 729 OH TYR A 51 12.219 0.748 1.478 1.00 0.00 O ATOM 0 H TYR A 51 8.084 6.531 -0.117 1.00 0.00 H new ATOM 0 HA TYR A 51 8.137 4.076 -1.786 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.427 4.526 1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.745 3.181 0.266 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.419 1.534 -0.845 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.533 4.317 2.185 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.477 0.156 -0.325 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.590 2.930 2.691 1.00 0.00 H new ATOM 0 HH TYR A 51 12.516 0.288 0.665 1.00 0.00 H new ATOM 739 N ARG A 52 5.859 4.545 -2.505 1.00 0.00 N ATOM 740 CA ARG A 52 4.542 4.872 -3.025 1.00 0.00 C ATOM 741 C ARG A 52 3.529 3.800 -2.619 1.00 0.00 C ATOM 742 O ARG A 52 3.742 2.614 -2.867 1.00 0.00 O ATOM 743 CB ARG A 52 4.566 4.990 -4.550 1.00 0.00 C ATOM 744 CG ARG A 52 3.176 5.326 -5.096 1.00 0.00 C ATOM 745 CD ARG A 52 3.272 6.274 -6.293 1.00 0.00 C ATOM 746 NE ARG A 52 3.114 5.515 -7.554 1.00 0.00 N ATOM 747 CZ ARG A 52 3.455 5.984 -8.761 1.00 0.00 C ATOM 748 NH1 ARG A 52 3.977 7.213 -8.879 1.00 0.00 N ATOM 749 NH2 ARG A 52 3.276 5.225 -9.851 1.00 0.00 N ATOM 0 H ARG A 52 6.385 3.875 -3.067 1.00 0.00 H new ATOM 0 HA ARG A 52 4.248 5.833 -2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.274 5.763 -4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.915 4.054 -4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.667 4.409 -5.393 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.574 5.785 -4.311 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.501 7.042 -6.222 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.234 6.786 -6.285 1.00 0.00 H new ATOM 0 HE ARG A 52 2.721 4.575 -7.500 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.114 7.791 -8.050 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.237 7.571 -9.798 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.880 4.289 -9.762 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.536 5.583 -10.770 1.00 0.00 H new ATOM 763 N ILE A 53 2.449 4.255 -2.001 1.00 0.00 N ATOM 764 CA ILE A 53 1.403 3.350 -1.558 1.00 0.00 C ATOM 765 C ILE A 53 0.085 3.730 -2.235 1.00 0.00 C ATOM 766 O ILE A 53 -0.168 4.906 -2.494 1.00 0.00 O ATOM 767 CB ILE A 53 1.325 3.328 -0.030 1.00 0.00 C ATOM 768 CG1 ILE A 53 0.228 2.376 0.450 1.00 0.00 C ATOM 769 CG2 ILE A 53 1.143 4.740 0.530 1.00 0.00 C ATOM 770 CD1 ILE A 53 0.054 2.459 1.967 1.00 0.00 C ATOM 0 H ILE A 53 2.276 5.239 -1.797 1.00 0.00 H new ATOM 0 HA ILE A 53 1.633 2.327 -1.857 1.00 0.00 H new ATOM 0 HB ILE A 53 2.272 2.948 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.713 2.623 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.478 1.354 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.091 4.696 1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.988 5.361 0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.221 5.170 0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.732 1.772 2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.990 2.188 2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.220 3.476 2.247 1.00 0.00 H new ATOM 782 N SER A 54 -0.721 2.713 -2.504 1.00 0.00 N ATOM 783 CA SER A 54 -2.006 2.926 -3.146 1.00 0.00 C ATOM 784 C SER A 54 -2.979 1.813 -2.751 1.00 0.00 C ATOM 785 O SER A 54 -2.718 0.637 -3.003 1.00 0.00 O ATOM 786 CB SER A 54 -1.858 2.986 -4.668 1.00 0.00 C ATOM 787 OG SER A 54 -0.726 2.251 -5.124 1.00 0.00 O ATOM 0 H SER A 54 -0.508 1.739 -2.289 1.00 0.00 H new ATOM 0 HA SER A 54 -2.403 3.884 -2.808 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.760 2.590 -5.136 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.766 4.026 -4.982 1.00 0.00 H new ATOM 0 HG SER A 54 -0.668 2.313 -6.100 1.00 0.00 H new ATOM 793 N TRP A 55 -4.080 2.223 -2.139 1.00 0.00 N ATOM 794 CA TRP A 55 -5.093 1.275 -1.707 1.00 0.00 C ATOM 795 C TRP A 55 -6.289 1.396 -2.654 1.00 0.00 C ATOM 796 O TRP A 55 -6.883 2.466 -2.776 1.00 0.00 O ATOM 797 CB TRP A 55 -5.467 1.502 -0.241 1.00 0.00 C ATOM 798 CG TRP A 55 -6.028 2.896 0.049 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.210 3.404 -0.325 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.377 3.946 0.796 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.368 4.700 0.123 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.218 5.040 0.826 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.120 3.971 1.424 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -5.894 6.238 1.473 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -3.810 5.176 2.065 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.646 6.286 2.105 1.00 0.00 C ATOM 0 H TRP A 55 -4.293 3.199 -1.932 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.712 0.255 -1.756 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.204 0.756 0.055 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.584 1.341 0.378 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.947 2.867 -0.904 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.179 5.298 -0.033 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.446 3.127 1.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.570 7.080 1.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.855 5.249 2.563 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.334 7.182 2.622 1.00 0.00 H new ATOM 817 N GLU A 56 -6.605 0.284 -3.301 1.00 0.00 N ATOM 818 CA GLU A 56 -7.719 0.251 -4.234 1.00 0.00 C ATOM 819 C GLU A 56 -8.527 -1.035 -4.051 1.00 0.00 C ATOM 820 O GLU A 56 -7.959 -2.105 -3.839 1.00 0.00 O ATOM 821 CB GLU A 56 -7.230 0.391 -5.677 1.00 0.00 C ATOM 822 CG GLU A 56 -6.693 -0.940 -6.205 1.00 0.00 C ATOM 823 CD GLU A 56 -6.168 -0.791 -7.635 1.00 0.00 C ATOM 824 OE1 GLU A 56 -4.989 -0.397 -7.768 1.00 0.00 O ATOM 825 OE2 GLU A 56 -6.957 -1.075 -8.562 1.00 0.00 O ATOM 0 H GLU A 56 -6.109 -0.601 -3.198 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.370 1.099 -4.022 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.048 0.734 -6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.448 1.149 -5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.894 -1.297 -5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.483 -1.691 -6.180 1.00 0.00 H new ATOM 832 N GLU A 57 -9.841 -0.888 -4.141 1.00 0.00 N ATOM 833 CA GLU A 57 -10.733 -2.024 -3.988 1.00 0.00 C ATOM 834 C GLU A 57 -10.234 -3.207 -4.820 1.00 0.00 C ATOM 835 O GLU A 57 -9.280 -3.073 -5.586 1.00 0.00 O ATOM 836 CB GLU A 57 -12.167 -1.651 -4.371 1.00 0.00 C ATOM 837 CG GLU A 57 -12.891 -0.985 -3.200 1.00 0.00 C ATOM 838 CD GLU A 57 -14.254 -1.637 -2.956 1.00 0.00 C ATOM 839 OE1 GLU A 57 -14.318 -2.879 -3.076 1.00 0.00 O ATOM 840 OE2 GLU A 57 -15.200 -0.878 -2.654 1.00 0.00 O ATOM 0 H GLU A 57 -10.309 0.001 -4.318 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.737 -2.319 -2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.155 -0.976 -5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.710 -2.545 -4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.281 -1.061 -2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.024 0.077 -3.406 1.00 0.00 H new ATOM 847 N TYR A 58 -10.900 -4.338 -4.643 1.00 0.00 N ATOM 848 CA TYR A 58 -10.536 -5.543 -5.368 1.00 0.00 C ATOM 849 C TYR A 58 -10.412 -5.265 -6.867 1.00 0.00 C ATOM 850 O TYR A 58 -9.340 -5.433 -7.446 1.00 0.00 O ATOM 851 CB TYR A 58 -11.678 -6.535 -5.138 1.00 0.00 C ATOM 852 CG TYR A 58 -11.598 -7.790 -6.010 1.00 0.00 C ATOM 853 CD1 TYR A 58 -10.630 -8.742 -5.762 1.00 0.00 C ATOM 854 CD2 TYR A 58 -12.493 -7.969 -7.045 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.554 -9.922 -6.583 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.417 -9.149 -7.866 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.452 -10.068 -7.595 1.00 0.00 C ATOM 858 OH TYR A 58 -11.380 -11.183 -8.370 1.00 0.00 O ATOM 0 H TYR A 58 -11.690 -4.445 -4.007 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.575 -5.924 -5.021 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.681 -6.833 -4.090 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.626 -6.032 -5.329 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.930 -8.602 -4.952 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.250 -7.224 -7.239 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.801 -10.674 -6.400 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.111 -9.301 -8.679 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.083 -11.154 -9.052 1.00 0.00 H new ATOM 868 N ASN A 59 -11.523 -4.844 -7.452 1.00 0.00 N ATOM 869 CA ASN A 59 -11.552 -4.541 -8.873 1.00 0.00 C ATOM 870 C ASN A 59 -12.153 -3.149 -9.081 1.00 0.00 C ATOM 871 O ASN A 59 -13.216 -3.012 -9.684 1.00 0.00 O ATOM 872 CB ASN A 59 -12.418 -5.548 -9.633 1.00 0.00 C ATOM 873 CG ASN A 59 -11.959 -5.677 -11.087 1.00 0.00 C ATOM 874 OD1 ASN A 59 -11.715 -4.702 -11.778 1.00 0.00 O ATOM 875 ND2 ASN A 59 -11.855 -6.934 -11.512 1.00 0.00 N ATOM 0 H ASN A 59 -12.410 -4.705 -6.968 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.530 -4.588 -9.249 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.366 -6.521 -9.144 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.461 -5.232 -9.604 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.556 -7.126 -12.468 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.075 -7.705 -10.882 1.00 0.00 H new ATOM 882 N ARG A 60 -11.445 -2.152 -8.570 1.00 0.00 N ATOM 883 CA ARG A 60 -11.895 -0.776 -8.692 1.00 0.00 C ATOM 884 C ARG A 60 -10.710 0.183 -8.567 1.00 0.00 C ATOM 885 O ARG A 60 -10.056 0.236 -7.526 1.00 0.00 O ATOM 886 CB ARG A 60 -12.931 -0.438 -7.618 1.00 0.00 C ATOM 887 CG ARG A 60 -13.562 -1.709 -7.045 1.00 0.00 C ATOM 888 CD ARG A 60 -14.549 -1.374 -5.925 1.00 0.00 C ATOM 889 NE ARG A 60 -15.875 -1.052 -6.497 1.00 0.00 N ATOM 890 CZ ARG A 60 -16.692 -1.956 -7.055 1.00 0.00 C ATOM 891 NH1 ARG A 60 -16.323 -3.243 -7.118 1.00 0.00 N ATOM 892 NH2 ARG A 60 -17.877 -1.574 -7.549 1.00 0.00 N ATOM 0 H ARG A 60 -10.563 -2.270 -8.071 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.356 -0.664 -9.673 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.458 0.130 -6.817 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.707 0.198 -8.044 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.076 -2.253 -7.837 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.781 -2.366 -6.662 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.635 -2.218 -5.240 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.179 -0.529 -5.344 1.00 0.00 H new ATOM 0 HE ARG A 60 -16.187 -0.081 -6.465 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.421 -3.534 -6.741 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.944 -3.932 -7.543 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -18.158 -0.595 -7.501 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -18.498 -2.262 -7.974 1.00 0.00 H new ATOM 906 N THR A 61 -10.468 0.918 -9.643 1.00 0.00 N ATOM 907 CA THR A 61 -9.372 1.872 -9.667 1.00 0.00 C ATOM 908 C THR A 61 -9.840 3.233 -9.148 1.00 0.00 C ATOM 909 O THR A 61 -9.084 3.941 -8.484 1.00 0.00 O ATOM 910 CB THR A 61 -8.820 1.922 -11.093 1.00 0.00 C ATOM 911 OG1 THR A 61 -8.236 0.637 -11.284 1.00 0.00 O ATOM 912 CG2 THR A 61 -7.644 2.891 -11.231 1.00 0.00 C ATOM 0 H THR A 61 -11.012 0.872 -10.504 1.00 0.00 H new ATOM 0 HA THR A 61 -8.565 1.565 -9.002 1.00 0.00 H new ATOM 0 HB THR A 61 -9.614 2.215 -11.780 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.855 0.582 -12.185 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.290 2.889 -12.262 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.967 3.896 -10.961 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.836 2.579 -10.569 1.00 0.00 H new ATOM 920 N ASN A 62 -11.083 3.559 -9.470 1.00 0.00 N ATOM 921 CA ASN A 62 -11.660 4.823 -9.044 1.00 0.00 C ATOM 922 C ASN A 62 -11.377 5.031 -7.555 1.00 0.00 C ATOM 923 O ASN A 62 -11.130 6.154 -7.118 1.00 0.00 O ATOM 924 CB ASN A 62 -13.176 4.831 -9.244 1.00 0.00 C ATOM 925 CG ASN A 62 -13.714 6.262 -9.300 1.00 0.00 C ATOM 926 OD1 ASN A 62 -13.118 7.154 -9.881 1.00 0.00 O ATOM 927 ND2 ASN A 62 -14.872 6.430 -8.667 1.00 0.00 N ATOM 0 H ASN A 62 -11.707 2.970 -10.021 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.214 5.617 -9.643 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.427 4.308 -10.167 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.657 4.290 -8.429 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.314 7.349 -8.648 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.318 5.640 -8.201 1.00 0.00 H new ATOM 934 N THR A 63 -11.425 3.932 -6.817 1.00 0.00 N ATOM 935 CA THR A 63 -11.177 3.981 -5.386 1.00 0.00 C ATOM 936 C THR A 63 -9.686 3.797 -5.096 1.00 0.00 C ATOM 937 O THR A 63 -9.315 3.171 -4.104 1.00 0.00 O ATOM 938 CB THR A 63 -12.061 2.926 -4.717 1.00 0.00 C ATOM 939 OG1 THR A 63 -11.328 1.713 -4.868 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.359 2.675 -5.488 1.00 0.00 C ATOM 0 H THR A 63 -11.632 3.003 -7.183 1.00 0.00 H new ATOM 0 HA THR A 63 -11.438 4.955 -4.972 1.00 0.00 H new ATOM 0 HB THR A 63 -12.298 3.242 -3.701 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.479 1.781 -4.383 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.949 1.918 -4.971 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.930 3.601 -5.550 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.123 2.326 -6.493 1.00 0.00 H new ATOM 948 N ARG A 64 -8.871 4.354 -5.980 1.00 0.00 N ATOM 949 CA ARG A 64 -7.429 4.260 -5.831 1.00 0.00 C ATOM 950 C ARG A 64 -6.861 5.582 -5.310 1.00 0.00 C ATOM 951 O ARG A 64 -7.294 6.655 -5.729 1.00 0.00 O ATOM 952 CB ARG A 64 -6.759 3.915 -7.163 1.00 0.00 C ATOM 953 CG ARG A 64 -5.257 3.688 -6.979 1.00 0.00 C ATOM 954 CD ARG A 64 -4.477 4.988 -7.186 1.00 0.00 C ATOM 955 NE ARG A 64 -3.080 4.684 -7.566 1.00 0.00 N ATOM 956 CZ ARG A 64 -2.693 4.357 -8.807 1.00 0.00 C ATOM 957 NH1 ARG A 64 -3.597 4.289 -9.794 1.00 0.00 N ATOM 958 NH2 ARG A 64 -1.403 4.098 -9.060 1.00 0.00 N ATOM 0 H ARG A 64 -9.182 4.872 -6.802 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.221 3.464 -5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.217 3.020 -7.583 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.924 4.722 -7.877 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.064 3.299 -5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.910 2.935 -7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.952 5.587 -7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.493 5.581 -6.272 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.367 4.726 -6.838 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.579 4.486 -9.601 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.303 4.040 -10.739 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.716 4.150 -8.308 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.108 3.849 -10.004 1.00 0.00 H new ATOM 972 N VAL A 65 -5.902 5.461 -4.405 1.00 0.00 N ATOM 973 CA VAL A 65 -5.271 6.634 -3.823 1.00 0.00 C ATOM 974 C VAL A 65 -3.774 6.613 -4.142 1.00 0.00 C ATOM 975 O VAL A 65 -3.218 5.564 -4.461 1.00 0.00 O ATOM 976 CB VAL A 65 -5.561 6.693 -2.322 1.00 0.00 C ATOM 977 CG1 VAL A 65 -4.832 5.572 -1.577 1.00 0.00 C ATOM 978 CG2 VAL A 65 -5.194 8.062 -1.746 1.00 0.00 C ATOM 0 H VAL A 65 -5.546 4.569 -4.060 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.684 7.545 -4.257 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.632 6.546 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.056 5.637 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.163 4.606 -1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.757 5.673 -1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.410 8.077 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.132 8.251 -1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.778 8.835 -2.245 1.00 0.00 H new ATOM 988 N THR A 66 -3.165 7.786 -4.043 1.00 0.00 N ATOM 989 CA THR A 66 -1.744 7.916 -4.318 1.00 0.00 C ATOM 990 C THR A 66 -1.053 8.691 -3.194 1.00 0.00 C ATOM 991 O THR A 66 -1.090 9.920 -3.169 1.00 0.00 O ATOM 992 CB THR A 66 -1.585 8.568 -5.692 1.00 0.00 C ATOM 993 OG1 THR A 66 -2.089 7.592 -6.600 1.00 0.00 O ATOM 994 CG2 THR A 66 -0.119 8.732 -6.097 1.00 0.00 C ATOM 0 H THR A 66 -3.629 8.654 -3.776 1.00 0.00 H new ATOM 0 HA THR A 66 -1.256 6.942 -4.347 1.00 0.00 H new ATOM 0 HB THR A 66 -2.071 9.543 -5.689 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.025 7.934 -7.516 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.063 9.200 -7.080 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.392 9.360 -5.367 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.360 7.754 -6.133 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.438 7.940 -2.292 1.00 0.00 N ATOM 1003 CA HIS A 67 0.260 8.541 -1.168 1.00 0.00 C ATOM 1004 C HIS A 67 1.770 8.459 -1.400 1.00 0.00 C ATOM 1005 O HIS A 67 2.241 7.614 -2.160 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.173 7.895 0.149 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.282 8.634 0.860 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -1.433 10.008 0.788 1.00 0.00 N ATOM 1009 CD2 HIS A 67 -2.290 8.176 1.656 1.00 0.00 C ATOM 1010 CE1 HIS A 67 -2.488 10.351 1.512 1.00 0.00 C ATOM 1011 NE2 HIS A 67 -3.018 9.214 2.050 1.00 0.00 N ATOM 0 H HIS A 67 -0.409 6.921 -2.317 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.005 9.596 -1.092 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.499 6.874 -0.049 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.690 7.831 0.812 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -0.834 10.648 0.266 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.466 7.144 1.921 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.863 11.354 1.652 1.00 0.00 H new ATOM 1019 N TYR A 68 2.488 9.349 -0.731 1.00 0.00 N ATOM 1020 CA TYR A 68 3.936 9.389 -0.854 1.00 0.00 C ATOM 1021 C TYR A 68 4.601 9.455 0.522 1.00 0.00 C ATOM 1022 O TYR A 68 4.346 10.377 1.295 1.00 0.00 O ATOM 1023 CB TYR A 68 4.258 10.670 -1.626 1.00 0.00 C ATOM 1024 CG TYR A 68 3.900 10.608 -3.112 1.00 0.00 C ATOM 1025 CD1 TYR A 68 4.425 9.610 -3.908 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.051 11.550 -3.657 1.00 0.00 C ATOM 1027 CE1 TYR A 68 4.088 9.551 -5.306 1.00 0.00 C ATOM 1028 CE2 TYR A 68 2.714 11.491 -5.056 1.00 0.00 C ATOM 1029 CZ TYR A 68 3.249 10.495 -5.811 1.00 0.00 C ATOM 1030 OH TYR A 68 2.930 10.440 -7.132 1.00 0.00 O ATOM 0 H TYR A 68 2.094 10.048 -0.102 1.00 0.00 H new ATOM 0 HA TYR A 68 4.304 8.495 -1.357 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.723 11.502 -1.168 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.322 10.883 -1.528 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.089 8.873 -3.481 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.640 12.331 -3.035 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.492 8.775 -5.939 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.051 12.222 -5.495 1.00 0.00 H new ATOM 0 HH TYR A 68 2.322 11.176 -7.353 1.00 0.00 H new ATOM 1040 N LEU A 69 5.442 8.465 0.785 1.00 0.00 N ATOM 1041 CA LEU A 69 6.147 8.400 2.054 1.00 0.00 C ATOM 1042 C LEU A 69 7.655 8.419 1.797 1.00 0.00 C ATOM 1043 O LEU A 69 8.102 8.140 0.686 1.00 0.00 O ATOM 1044 CB LEU A 69 5.677 7.192 2.867 1.00 0.00 C ATOM 1045 CG LEU A 69 4.187 6.857 2.770 1.00 0.00 C ATOM 1046 CD1 LEU A 69 3.942 5.368 3.021 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.364 7.740 3.710 1.00 0.00 C ATOM 0 H LEU A 69 5.651 7.702 0.141 1.00 0.00 H new ATOM 0 HA LEU A 69 5.916 9.274 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.247 6.320 2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.923 7.366 3.915 1.00 0.00 H new ATOM 0 HG LEU A 69 3.854 7.071 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.875 5.157 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.481 4.780 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.295 5.104 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.309 7.481 3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.691 7.582 4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.505 8.787 3.442 1.00 0.00 H new ATOM 1059 N PRO A 70 8.417 8.759 2.871 1.00 0.00 N ATOM 1060 CA PRO A 70 9.865 8.817 2.773 1.00 0.00 C ATOM 1061 C PRO A 70 10.470 7.412 2.744 1.00 0.00 C ATOM 1062 O PRO A 70 9.752 6.421 2.864 1.00 0.00 O ATOM 1063 CB PRO A 70 10.309 9.631 3.977 1.00 0.00 C ATOM 1064 CG PRO A 70 9.143 9.602 4.952 1.00 0.00 C ATOM 1065 CD PRO A 70 7.922 9.094 4.203 1.00 0.00 C ATOM 0 HA PRO A 70 10.205 9.282 1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.206 9.205 4.427 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.552 10.654 3.689 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.369 8.953 5.798 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.957 10.598 5.354 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.490 8.223 4.695 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.142 9.854 4.156 1.00 0.00 H new ATOM 1073 N ASN A 71 11.785 7.372 2.585 1.00 0.00 N ATOM 1074 CA ASN A 71 12.495 6.105 2.539 1.00 0.00 C ATOM 1075 C ASN A 71 12.822 5.657 3.965 1.00 0.00 C ATOM 1076 O ASN A 71 13.702 4.823 4.170 1.00 0.00 O ATOM 1077 CB ASN A 71 13.812 6.239 1.771 1.00 0.00 C ATOM 1078 CG ASN A 71 14.830 7.057 2.568 1.00 0.00 C ATOM 1079 OD1 ASN A 71 14.530 8.102 3.121 1.00 0.00 O ATOM 1080 ND2 ASN A 71 16.048 6.524 2.597 1.00 0.00 N ATOM 0 H ASN A 71 12.377 8.197 2.486 1.00 0.00 H new ATOM 0 HA ASN A 71 11.857 5.379 2.036 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.218 5.249 1.563 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.629 6.717 0.809 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.798 6.994 3.104 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.232 5.646 2.112 1.00 0.00 H new ATOM 1087 N VAL A 72 12.096 6.231 4.913 1.00 0.00 N ATOM 1088 CA VAL A 72 12.298 5.901 6.313 1.00 0.00 C ATOM 1089 C VAL A 72 11.050 5.197 6.852 1.00 0.00 C ATOM 1090 O VAL A 72 11.124 4.462 7.836 1.00 0.00 O ATOM 1091 CB VAL A 72 12.660 7.161 7.101 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.910 7.828 6.524 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.485 8.140 7.139 1.00 0.00 C ATOM 0 H VAL A 72 11.367 6.923 4.739 1.00 0.00 H new ATOM 0 HA VAL A 72 13.135 5.212 6.426 1.00 0.00 H new ATOM 0 HB VAL A 72 12.882 6.863 8.126 1.00 0.00 H new ATOM 0 HG11 VAL A 72 14.146 8.721 7.102 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.748 7.133 6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.728 8.106 5.486 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.769 9.027 7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.219 8.428 6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.629 7.663 7.617 1.00 0.00 H new ATOM 1103 N THR A 73 9.934 5.446 6.183 1.00 0.00 N ATOM 1104 CA THR A 73 8.673 4.845 6.582 1.00 0.00 C ATOM 1105 C THR A 73 8.335 3.661 5.674 1.00 0.00 C ATOM 1106 O THR A 73 8.613 3.693 4.476 1.00 0.00 O ATOM 1107 CB THR A 73 7.604 5.940 6.575 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.870 6.692 7.756 1.00 0.00 O ATOM 1109 CG2 THR A 73 6.196 5.385 6.796 1.00 0.00 C ATOM 0 H THR A 73 9.877 6.056 5.367 1.00 0.00 H new ATOM 0 HA THR A 73 8.732 4.435 7.590 1.00 0.00 H new ATOM 0 HB THR A 73 7.638 6.475 5.626 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.224 7.425 7.830 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.476 6.203 6.782 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.956 4.677 6.003 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.152 4.879 7.760 1.00 0.00 H new ATOM 1117 N LEU A 74 7.741 2.643 6.279 1.00 0.00 N ATOM 1118 CA LEU A 74 7.362 1.450 5.540 1.00 0.00 C ATOM 1119 C LEU A 74 5.954 1.022 5.958 1.00 0.00 C ATOM 1120 O LEU A 74 5.506 -0.070 5.614 1.00 0.00 O ATOM 1121 CB LEU A 74 8.416 0.355 5.716 1.00 0.00 C ATOM 1122 CG LEU A 74 9.870 0.826 5.782 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.664 0.013 6.805 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.519 0.797 4.397 1.00 0.00 C ATOM 0 H LEU A 74 7.513 2.619 7.273 1.00 0.00 H new ATOM 0 HA LEU A 74 7.327 1.658 4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.191 -0.194 6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.321 -0.349 4.890 1.00 0.00 H new ATOM 0 HG LEU A 74 9.878 1.862 6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.694 0.368 6.832 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.214 0.130 7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.651 -1.040 6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.552 1.136 4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.499 -0.221 4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.969 1.455 3.724 1.00 0.00 H new ATOM 1136 N GLU A 75 5.296 1.905 6.695 1.00 0.00 N ATOM 1137 CA GLU A 75 3.948 1.632 7.163 1.00 0.00 C ATOM 1138 C GLU A 75 3.106 2.909 7.131 1.00 0.00 C ATOM 1139 O GLU A 75 3.634 4.009 7.288 1.00 0.00 O ATOM 1140 CB GLU A 75 3.968 1.024 8.567 1.00 0.00 C ATOM 1141 CG GLU A 75 4.343 2.074 9.614 1.00 0.00 C ATOM 1142 CD GLU A 75 5.678 1.732 10.280 1.00 0.00 C ATOM 1143 OE1 GLU A 75 5.691 0.748 11.051 1.00 0.00 O ATOM 1144 OE2 GLU A 75 6.654 2.462 10.003 1.00 0.00 O ATOM 0 H GLU A 75 5.671 2.810 6.979 1.00 0.00 H new ATOM 0 HA GLU A 75 3.492 0.903 6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.989 0.606 8.800 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.682 0.201 8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.408 3.055 9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.560 2.135 10.370 1.00 0.00 H new ATOM 1151 N TYR A 76 1.810 2.721 6.926 1.00 0.00 N ATOM 1152 CA TYR A 76 0.890 3.844 6.871 1.00 0.00 C ATOM 1153 C TYR A 76 -0.539 3.398 7.185 1.00 0.00 C ATOM 1154 O TYR A 76 -0.894 2.241 6.967 1.00 0.00 O ATOM 1155 CB TYR A 76 0.945 4.364 5.433 1.00 0.00 C ATOM 1156 CG TYR A 76 0.022 5.554 5.166 1.00 0.00 C ATOM 1157 CD1 TYR A 76 -1.287 5.341 4.785 1.00 0.00 C ATOM 1158 CD2 TYR A 76 0.498 6.842 5.307 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -2.156 6.461 4.534 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -0.371 7.963 5.056 1.00 0.00 C ATOM 1161 CZ TYR A 76 -1.655 7.717 4.682 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.476 8.775 4.445 1.00 0.00 O ATOM 0 H TYR A 76 1.376 1.807 6.796 1.00 0.00 H new ATOM 0 HA TYR A 76 1.168 4.604 7.601 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.970 4.653 5.201 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.681 3.553 4.754 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.660 4.333 4.675 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.522 7.009 5.606 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.182 6.308 4.235 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.011 8.976 5.162 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.189 8.504 3.830 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.321 4.340 7.693 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.703 4.058 8.040 1.00 0.00 C ATOM 1174 C ARG A 77 -3.631 4.464 6.893 1.00 0.00 C ATOM 1175 O ARG A 77 -3.585 5.601 6.425 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.116 4.805 9.310 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.582 4.535 9.653 1.00 0.00 C ATOM 1178 CD ARG A 77 -4.750 4.230 11.143 1.00 0.00 C ATOM 1179 NE ARG A 77 -4.333 5.400 11.948 1.00 0.00 N ATOM 1180 CZ ARG A 77 -5.125 6.446 12.220 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -6.381 6.475 11.752 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -4.663 7.463 12.959 1.00 0.00 N ATOM 0 H ARG A 77 -1.023 5.299 7.872 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.788 2.986 8.219 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.482 4.496 10.141 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.962 5.875 9.173 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.187 5.401 9.385 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.948 3.695 9.063 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.790 3.982 11.357 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.153 3.360 11.414 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.383 5.411 12.319 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.733 5.701 11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.984 7.271 11.959 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.707 7.442 13.315 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.267 8.259 13.165 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.453 3.513 6.474 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.390 3.757 5.391 1.00 0.00 C ATOM 1198 C VAL A 78 -6.772 4.055 5.976 1.00 0.00 C ATOM 1199 O VAL A 78 -7.122 3.548 7.041 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.393 2.572 4.423 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -6.329 2.831 3.241 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -3.976 2.255 3.941 1.00 0.00 C ATOM 0 H VAL A 78 -4.489 2.572 6.865 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.086 4.630 4.813 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.767 1.701 4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.312 1.973 2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.344 2.985 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.999 3.720 2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.006 1.409 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.563 3.124 3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.348 2.006 4.796 1.00 0.00 H new ATOM 1212 N THR A 79 -7.521 4.875 5.254 1.00 0.00 N ATOM 1213 CA THR A 79 -8.858 5.245 5.688 1.00 0.00 C ATOM 1214 C THR A 79 -9.699 5.700 4.494 1.00 0.00 C ATOM 1215 O THR A 79 -9.173 6.270 3.539 1.00 0.00 O ATOM 1216 CB THR A 79 -8.722 6.312 6.777 1.00 0.00 C ATOM 1217 OG1 THR A 79 -7.829 7.270 6.215 1.00 0.00 O ATOM 1218 CG2 THR A 79 -7.985 5.795 8.014 1.00 0.00 C ATOM 0 H THR A 79 -7.228 5.294 4.371 1.00 0.00 H new ATOM 0 HA THR A 79 -9.387 4.392 6.112 1.00 0.00 H new ATOM 0 HB THR A 79 -9.712 6.664 7.066 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.686 7.999 6.855 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.916 6.591 8.755 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.531 4.952 8.437 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.982 5.473 7.732 1.00 0.00 H new ATOM 1226 N GLY A 80 -10.993 5.430 4.586 1.00 0.00 N ATOM 1227 CA GLY A 80 -11.913 5.804 3.525 1.00 0.00 C ATOM 1228 C GLY A 80 -12.275 4.594 2.661 1.00 0.00 C ATOM 1229 O GLY A 80 -12.722 4.749 1.526 1.00 0.00 O ATOM 0 H GLY A 80 -11.426 4.957 5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.818 6.230 3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.462 6.577 2.903 1.00 0.00 H new ATOM 1233 N LEU A 81 -12.068 3.417 3.232 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.366 2.181 2.528 1.00 0.00 C ATOM 1235 C LEU A 81 -13.858 1.869 2.665 1.00 0.00 C ATOM 1236 O LEU A 81 -14.688 2.776 2.663 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.455 1.053 3.016 1.00 0.00 C ATOM 1238 CG LEU A 81 -10.002 1.440 3.300 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -9.404 0.559 4.398 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.165 1.406 2.019 1.00 0.00 C ATOM 0 H LEU A 81 -11.698 3.293 4.174 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.158 2.289 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.884 0.635 3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.460 0.260 2.268 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.988 2.466 3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.371 0.855 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.982 0.677 5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.432 -0.484 4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.137 1.685 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.183 0.400 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.579 2.109 1.295 1.00 0.00 H new ATOM 1252 N THR A 82 -14.152 0.582 2.781 1.00 0.00 N ATOM 1253 CA THR A 82 -15.529 0.139 2.919 1.00 0.00 C ATOM 1254 C THR A 82 -15.617 -1.032 3.899 1.00 0.00 C ATOM 1255 O THR A 82 -14.664 -1.796 4.046 1.00 0.00 O ATOM 1256 CB THR A 82 -16.060 -0.196 1.523 1.00 0.00 C ATOM 1257 OG1 THR A 82 -15.752 0.960 0.749 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.587 -0.277 1.482 1.00 0.00 C ATOM 0 H THR A 82 -13.460 -0.168 2.782 1.00 0.00 H new ATOM 0 HA THR A 82 -16.156 0.924 3.342 1.00 0.00 H new ATOM 0 HB THR A 82 -15.638 -1.144 1.191 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.870 0.852 0.336 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.912 -0.517 0.470 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.929 -1.054 2.166 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.010 0.682 1.781 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.769 -1.136 4.546 1.00 0.00 N ATOM 1267 CA ALA A 83 -16.994 -2.201 5.508 1.00 0.00 C ATOM 1268 C ALA A 83 -17.251 -3.512 4.761 1.00 0.00 C ATOM 1269 O ALA A 83 -17.982 -3.533 3.772 1.00 0.00 O ATOM 1270 CB ALA A 83 -18.152 -1.819 6.432 1.00 0.00 C ATOM 0 H ALA A 83 -17.557 -0.500 4.422 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.113 -2.346 6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.321 -2.618 7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.907 -0.898 6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.055 -1.668 5.840 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.637 -4.573 5.264 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.791 -5.884 4.657 1.00 0.00 C ATOM 1278 C LEU A 84 -16.566 -5.772 3.147 1.00 0.00 C ATOM 1279 O LEU A 84 -17.409 -6.195 2.358 1.00 0.00 O ATOM 1280 CB LEU A 84 -18.143 -6.493 5.033 1.00 0.00 C ATOM 1281 CG LEU A 84 -18.432 -6.611 6.531 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -19.587 -7.579 6.793 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -17.170 -7.003 7.304 1.00 0.00 C ATOM 0 H LEU A 84 -16.032 -4.551 6.085 1.00 0.00 H new ATOM 0 HA LEU A 84 -16.039 -6.573 5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.929 -5.891 4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.207 -7.488 4.591 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.743 -5.632 6.896 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -19.771 -7.644 7.865 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.485 -7.218 6.292 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.329 -8.566 6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.403 -7.080 8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.805 -7.964 6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.402 -6.244 7.155 1.00 0.00 H new ATOM 1295 N THR A 85 -15.426 -5.199 2.792 1.00 0.00 N ATOM 1296 CA THR A 85 -15.079 -5.026 1.392 1.00 0.00 C ATOM 1297 C THR A 85 -13.631 -5.454 1.144 1.00 0.00 C ATOM 1298 O THR A 85 -12.784 -5.329 2.026 1.00 0.00 O ATOM 1299 CB THR A 85 -15.356 -3.570 1.013 1.00 0.00 C ATOM 1300 OG1 THR A 85 -16.774 -3.507 0.887 1.00 0.00 O ATOM 1301 CG2 THR A 85 -14.843 -3.221 -0.386 1.00 0.00 C ATOM 0 H THR A 85 -14.730 -4.848 3.450 1.00 0.00 H new ATOM 0 HA THR A 85 -15.687 -5.665 0.752 1.00 0.00 H new ATOM 0 HB THR A 85 -14.891 -2.910 1.746 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.182 -3.499 1.778 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.065 -2.177 -0.605 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.765 -3.379 -0.428 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.333 -3.858 -1.122 1.00 0.00 H new ATOM 1309 N THR A 86 -13.393 -5.950 -0.062 1.00 0.00 N ATOM 1310 CA THR A 86 -12.062 -6.397 -0.437 1.00 0.00 C ATOM 1311 C THR A 86 -11.260 -5.240 -1.035 1.00 0.00 C ATOM 1312 O THR A 86 -11.703 -4.599 -1.987 1.00 0.00 O ATOM 1313 CB THR A 86 -12.214 -7.586 -1.388 1.00 0.00 C ATOM 1314 OG1 THR A 86 -12.973 -8.533 -0.641 1.00 0.00 O ATOM 1315 CG2 THR A 86 -10.885 -8.298 -1.651 1.00 0.00 C ATOM 0 H THR A 86 -14.099 -6.052 -0.791 1.00 0.00 H new ATOM 0 HA THR A 86 -11.496 -6.728 0.433 1.00 0.00 H new ATOM 0 HB THR A 86 -12.636 -7.244 -2.333 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.120 -9.336 -1.184 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.048 -9.134 -2.332 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.180 -7.598 -2.099 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.479 -8.670 -0.710 1.00 0.00 H new ATOM 1323 N TYR A 87 -10.094 -5.007 -0.451 1.00 0.00 N ATOM 1324 CA TYR A 87 -9.225 -3.938 -0.914 1.00 0.00 C ATOM 1325 C TYR A 87 -7.808 -4.454 -1.169 1.00 0.00 C ATOM 1326 O TYR A 87 -7.372 -5.418 -0.541 1.00 0.00 O ATOM 1327 CB TYR A 87 -9.185 -2.907 0.216 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.322 -1.885 0.167 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -11.528 -2.164 0.779 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -10.143 -0.684 -0.489 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -12.598 -1.202 0.733 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -11.214 0.278 -0.535 1.00 0.00 C ATOM 1333 CZ TYR A 87 -12.388 -0.029 0.079 1.00 0.00 C ATOM 1334 OH TYR A 87 -13.399 0.880 0.035 1.00 0.00 O ATOM 0 H TYR A 87 -9.730 -5.540 0.339 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.597 -3.519 -1.849 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.221 -3.429 1.172 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.233 -2.378 0.178 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -11.668 -3.104 1.292 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -9.200 -0.466 -0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -13.546 -1.408 1.207 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -11.088 1.221 -1.045 1.00 0.00 H new ATOM 0 HH TYR A 87 -13.077 1.707 -0.380 1.00 0.00 H new ATOM 1344 N THR A 88 -7.126 -3.790 -2.091 1.00 0.00 N ATOM 1345 CA THR A 88 -5.767 -4.169 -2.435 1.00 0.00 C ATOM 1346 C THR A 88 -4.819 -2.983 -2.251 1.00 0.00 C ATOM 1347 O THR A 88 -4.935 -1.976 -2.949 1.00 0.00 O ATOM 1348 CB THR A 88 -5.778 -4.722 -3.862 1.00 0.00 C ATOM 1349 OG1 THR A 88 -5.714 -6.135 -3.687 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.499 -4.384 -4.631 1.00 0.00 C ATOM 0 H THR A 88 -7.490 -2.991 -2.610 1.00 0.00 H new ATOM 0 HA THR A 88 -5.394 -4.949 -1.771 1.00 0.00 H new ATOM 0 HB THR A 88 -6.640 -4.325 -4.398 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.718 -6.574 -4.563 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.559 -4.800 -5.637 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.386 -3.302 -4.692 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.640 -4.810 -4.113 1.00 0.00 H new ATOM 1358 N ILE A 89 -3.902 -3.140 -1.308 1.00 0.00 N ATOM 1359 CA ILE A 89 -2.934 -2.095 -1.023 1.00 0.00 C ATOM 1360 C ILE A 89 -1.637 -2.386 -1.780 1.00 0.00 C ATOM 1361 O ILE A 89 -1.010 -3.423 -1.568 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.743 -1.938 0.487 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.060 -2.161 1.232 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -2.117 -0.583 0.823 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.157 -1.239 0.696 1.00 0.00 C ATOM 0 H ILE A 89 -3.809 -3.976 -0.731 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.300 -1.131 -1.376 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.048 -2.706 0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.370 -3.201 1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.915 -1.978 2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.992 -0.497 1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.144 -0.501 0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.768 0.216 0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.083 -1.418 1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.854 -0.200 0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.317 -1.441 -0.363 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.273 -1.453 -2.647 1.00 0.00 N ATOM 1378 CA GLU A 90 -0.061 -1.597 -3.437 1.00 0.00 C ATOM 1379 C GLU A 90 1.054 -0.720 -2.863 1.00 0.00 C ATOM 1380 O GLU A 90 0.943 0.505 -2.856 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.322 -1.260 -4.907 1.00 0.00 C ATOM 1382 CG GLU A 90 -1.577 -1.972 -5.418 1.00 0.00 C ATOM 1383 CD GLU A 90 -2.606 -0.964 -5.935 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -3.330 -0.406 -5.083 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -2.644 -0.775 -7.170 1.00 0.00 O ATOM 0 H GLU A 90 -1.796 -0.594 -2.820 1.00 0.00 H new ATOM 0 HA GLU A 90 0.260 -2.637 -3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.439 -0.182 -5.022 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.538 -1.553 -5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.308 -2.664 -6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.015 -2.566 -4.616 1.00 0.00 H new ATOM 1392 N VAL A 91 2.102 -1.382 -2.396 1.00 0.00 N ATOM 1393 CA VAL A 91 3.236 -0.678 -1.822 1.00 0.00 C ATOM 1394 C VAL A 91 4.439 -0.807 -2.759 1.00 0.00 C ATOM 1395 O VAL A 91 4.880 -1.915 -3.060 1.00 0.00 O ATOM 1396 CB VAL A 91 3.518 -1.203 -0.412 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.799 -0.588 0.155 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.329 -0.946 0.516 1.00 0.00 C ATOM 0 H VAL A 91 2.190 -2.398 -2.403 1.00 0.00 H new ATOM 0 HA VAL A 91 3.015 0.385 -1.721 1.00 0.00 H new ATOM 0 HB VAL A 91 3.664 -2.281 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.977 -0.977 1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.641 -0.844 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.693 0.496 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.555 -1.328 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.138 0.125 0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.446 -1.452 0.125 1.00 0.00 H new ATOM 1408 N ALA A 92 4.935 0.342 -3.194 1.00 0.00 N ATOM 1409 CA ALA A 92 6.078 0.372 -4.091 1.00 0.00 C ATOM 1410 C ALA A 92 7.192 1.210 -3.462 1.00 0.00 C ATOM 1411 O ALA A 92 6.944 1.993 -2.547 1.00 0.00 O ATOM 1412 CB ALA A 92 5.642 0.910 -5.456 1.00 0.00 C ATOM 0 H ALA A 92 4.566 1.259 -2.942 1.00 0.00 H new ATOM 0 HA ALA A 92 6.470 -0.633 -4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.499 0.933 -6.129 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.870 0.263 -5.873 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.245 1.919 -5.340 1.00 0.00 H new ATOM 1418 N ALA A 93 8.397 1.017 -3.978 1.00 0.00 N ATOM 1419 CA ALA A 93 9.551 1.746 -3.479 1.00 0.00 C ATOM 1420 C ALA A 93 9.898 2.872 -4.454 1.00 0.00 C ATOM 1421 O ALA A 93 9.380 2.916 -5.568 1.00 0.00 O ATOM 1422 CB ALA A 93 10.716 0.776 -3.269 1.00 0.00 C ATOM 0 H ALA A 93 8.599 0.366 -4.737 1.00 0.00 H new ATOM 0 HA ALA A 93 9.329 2.202 -2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.582 1.323 -2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.428 0.013 -2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.969 0.301 -4.217 1.00 0.00 H new ATOM 1428 N MET A 94 10.774 3.757 -3.998 1.00 0.00 N ATOM 1429 CA MET A 94 11.196 4.881 -4.817 1.00 0.00 C ATOM 1430 C MET A 94 12.701 5.121 -4.682 1.00 0.00 C ATOM 1431 O MET A 94 13.221 5.222 -3.572 1.00 0.00 O ATOM 1432 CB MET A 94 10.438 6.138 -4.388 1.00 0.00 C ATOM 1433 CG MET A 94 8.927 5.940 -4.522 1.00 0.00 C ATOM 1434 SD MET A 94 8.064 7.357 -3.864 1.00 0.00 S ATOM 1435 CE MET A 94 7.458 8.082 -5.379 1.00 0.00 C ATOM 0 H MET A 94 11.202 3.718 -3.073 1.00 0.00 H new ATOM 0 HA MET A 94 10.975 4.651 -5.859 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.686 6.382 -3.355 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.753 6.983 -5.000 1.00 0.00 H new ATOM 0 HG2 MET A 94 8.662 5.797 -5.570 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.622 5.039 -3.990 1.00 0.00 H new ATOM 0 HE1 MET A 94 7.015 9.055 -5.165 1.00 0.00 H new ATOM 0 HE2 MET A 94 8.284 8.205 -6.079 1.00 0.00 H new ATOM 0 HE3 MET A 94 6.704 7.429 -5.819 1.00 0.00 H new ATOM 1445 N THR A 95 13.359 5.206 -5.829 1.00 0.00 N ATOM 1446 CA THR A 95 14.794 5.432 -5.854 1.00 0.00 C ATOM 1447 C THR A 95 15.121 6.694 -6.655 1.00 0.00 C ATOM 1448 O THR A 95 14.233 7.487 -6.961 1.00 0.00 O ATOM 1449 CB THR A 95 15.463 4.171 -6.405 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.565 3.715 -7.413 1.00 0.00 O ATOM 1451 CG2 THR A 95 15.491 3.030 -5.386 1.00 0.00 C ATOM 0 H THR A 95 12.924 5.122 -6.748 1.00 0.00 H new ATOM 0 HA THR A 95 15.184 5.611 -4.852 1.00 0.00 H new ATOM 0 HB THR A 95 16.482 4.406 -6.714 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.066 3.516 -8.231 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.976 2.160 -5.828 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.046 3.345 -4.502 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.471 2.771 -5.101 1.00 0.00 H new ATOM 1459 N SER A 96 16.399 6.839 -6.973 1.00 0.00 N ATOM 1460 CA SER A 96 16.855 7.991 -7.734 1.00 0.00 C ATOM 1461 C SER A 96 16.281 7.942 -9.151 1.00 0.00 C ATOM 1462 O SER A 96 16.192 8.967 -9.824 1.00 0.00 O ATOM 1463 CB SER A 96 18.383 8.050 -7.781 1.00 0.00 C ATOM 1464 OG SER A 96 18.898 7.572 -9.021 1.00 0.00 O ATOM 0 H SER A 96 17.133 6.178 -6.718 1.00 0.00 H new ATOM 0 HA SER A 96 16.499 8.893 -7.236 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.711 9.078 -7.624 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.794 7.456 -6.965 1.00 0.00 H new ATOM 0 HG SER A 96 19.876 7.628 -9.012 1.00 0.00 H new ATOM 1470 N LYS A 97 15.907 6.739 -9.563 1.00 0.00 N ATOM 1471 CA LYS A 97 15.345 6.543 -10.888 1.00 0.00 C ATOM 1472 C LYS A 97 13.844 6.841 -10.850 1.00 0.00 C ATOM 1473 O LYS A 97 13.342 7.623 -11.656 1.00 0.00 O ATOM 1474 CB LYS A 97 15.681 5.145 -11.411 1.00 0.00 C ATOM 1475 CG LYS A 97 17.124 5.081 -11.916 1.00 0.00 C ATOM 1476 CD LYS A 97 17.200 5.426 -13.405 1.00 0.00 C ATOM 1477 CE LYS A 97 16.851 6.896 -13.646 1.00 0.00 C ATOM 1478 NZ LYS A 97 17.288 7.317 -14.995 1.00 0.00 N ATOM 0 H LYS A 97 15.982 5.890 -9.002 1.00 0.00 H new ATOM 0 HA LYS A 97 15.791 7.240 -11.598 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.537 4.412 -10.618 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.997 4.881 -12.218 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.743 5.774 -11.346 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.527 4.082 -11.749 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.203 5.221 -13.779 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.515 4.789 -13.965 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.776 7.042 -13.543 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.331 7.519 -12.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.044 8.317 -15.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.317 7.196 -15.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.810 6.734 -15.712 1.00 0.00 H new ATOM 1492 N GLY A 98 13.171 6.202 -9.905 1.00 0.00 N ATOM 1493 CA GLY A 98 11.738 6.389 -9.751 1.00 0.00 C ATOM 1494 C GLY A 98 11.128 5.273 -8.899 1.00 0.00 C ATOM 1495 O GLY A 98 11.697 4.883 -7.881 1.00 0.00 O ATOM 0 H GLY A 98 13.591 5.554 -9.238 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.542 7.355 -9.286 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.262 6.404 -10.732 1.00 0.00 H new ATOM 1499 N GLN A 99 9.978 4.792 -9.348 1.00 0.00 N ATOM 1500 CA GLN A 99 9.285 3.729 -8.639 1.00 0.00 C ATOM 1501 C GLN A 99 9.684 2.365 -9.206 1.00 0.00 C ATOM 1502 O GLN A 99 9.837 2.213 -10.418 1.00 0.00 O ATOM 1503 CB GLN A 99 7.769 3.927 -8.702 1.00 0.00 C ATOM 1504 CG GLN A 99 7.045 2.884 -7.848 1.00 0.00 C ATOM 1505 CD GLN A 99 5.687 2.526 -8.455 1.00 0.00 C ATOM 1506 OE1 GLN A 99 5.589 1.899 -9.497 1.00 0.00 O ATOM 1507 NE2 GLN A 99 4.647 2.958 -7.747 1.00 0.00 N ATOM 0 H GLN A 99 9.509 5.118 -10.193 1.00 0.00 H new ATOM 0 HA GLN A 99 9.580 3.765 -7.590 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.514 4.928 -8.354 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.432 3.854 -9.736 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.658 1.987 -7.766 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.906 3.269 -6.838 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.799 3.478 -6.883 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.698 2.769 -8.068 1.00 0.00 H new ATOM 1516 N GLY A 100 9.841 1.408 -8.304 1.00 0.00 N ATOM 1517 CA GLY A 100 10.219 0.062 -8.699 1.00 0.00 C ATOM 1518 C GLY A 100 9.176 -0.958 -8.239 1.00 0.00 C ATOM 1519 O GLY A 100 8.808 -0.990 -7.065 1.00 0.00 O ATOM 0 H GLY A 100 9.713 1.538 -7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.327 0.014 -9.783 1.00 0.00 H new ATOM 0 HA3 GLY A 100 11.190 -0.187 -8.271 1.00 0.00 H new ATOM 1523 N GLN A 101 8.727 -1.768 -9.187 1.00 0.00 N ATOM 1524 CA GLN A 101 7.734 -2.787 -8.893 1.00 0.00 C ATOM 1525 C GLN A 101 6.699 -2.249 -7.903 1.00 0.00 C ATOM 1526 O GLN A 101 6.544 -1.037 -7.759 1.00 0.00 O ATOM 1527 CB GLN A 101 8.394 -4.059 -8.359 1.00 0.00 C ATOM 1528 CG GLN A 101 7.772 -5.306 -8.990 1.00 0.00 C ATOM 1529 CD GLN A 101 8.851 -6.311 -9.398 1.00 0.00 C ATOM 1530 OE1 GLN A 101 9.855 -5.972 -10.002 1.00 0.00 O ATOM 1531 NE2 GLN A 101 8.589 -7.564 -9.035 1.00 0.00 N ATOM 0 H GLN A 101 9.033 -1.739 -10.160 1.00 0.00 H new ATOM 0 HA GLN A 101 7.222 -3.045 -9.820 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.463 -4.035 -8.571 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.285 -4.102 -7.275 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.085 -5.771 -8.283 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.186 -5.022 -9.864 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.729 -7.780 -8.531 1.00 0.00 H new ATOM 0 HE22 GLN A 101 9.248 -8.309 -9.261 1.00 0.00 H new ATOM 1540 N VAL A 102 6.018 -3.176 -7.246 1.00 0.00 N ATOM 1541 CA VAL A 102 5.002 -2.810 -6.273 1.00 0.00 C ATOM 1542 C VAL A 102 4.439 -4.079 -5.629 1.00 0.00 C ATOM 1543 O VAL A 102 4.332 -5.116 -6.282 1.00 0.00 O ATOM 1544 CB VAL A 102 3.927 -1.948 -6.938 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.749 -2.806 -7.405 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.457 -0.836 -5.998 1.00 0.00 C ATOM 0 H VAL A 102 6.150 -4.180 -7.368 1.00 0.00 H new ATOM 0 HA VAL A 102 5.436 -2.206 -5.476 1.00 0.00 H new ATOM 0 HB VAL A 102 4.369 -1.479 -7.817 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.999 -2.170 -7.874 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.100 -3.545 -8.126 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.308 -3.316 -6.548 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.693 -0.238 -6.495 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.040 -1.277 -5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.302 -0.200 -5.736 1.00 0.00 H new ATOM 1556 N SER A 103 4.092 -3.954 -4.356 1.00 0.00 N ATOM 1557 CA SER A 103 3.542 -5.078 -3.617 1.00 0.00 C ATOM 1558 C SER A 103 2.060 -4.836 -3.324 1.00 0.00 C ATOM 1559 O SER A 103 1.718 -4.053 -2.439 1.00 0.00 O ATOM 1560 CB SER A 103 4.310 -5.309 -2.314 1.00 0.00 C ATOM 1561 OG SER A 103 5.520 -6.030 -2.528 1.00 0.00 O ATOM 0 H SER A 103 4.181 -3.092 -3.818 1.00 0.00 H new ATOM 0 HA SER A 103 3.643 -5.973 -4.230 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.537 -4.348 -1.852 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.680 -5.858 -1.614 1.00 0.00 H new ATOM 0 HG SER A 103 5.982 -6.155 -1.673 1.00 0.00 H new ATOM 1567 N ALA A 104 1.220 -5.522 -4.085 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.218 -5.391 -3.918 1.00 0.00 C ATOM 1569 C ALA A 104 -0.757 -6.628 -3.196 1.00 0.00 C ATOM 1570 O ALA A 104 -0.634 -7.745 -3.694 1.00 0.00 O ATOM 1571 CB ALA A 104 -0.874 -5.181 -5.284 1.00 0.00 C ATOM 0 H ALA A 104 1.507 -6.170 -4.819 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.456 -4.521 -3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.952 -5.083 -5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.478 -4.275 -5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.660 -6.036 -5.926 1.00 0.00 H new ATOM 1577 N SER A 105 -1.345 -6.385 -2.033 1.00 0.00 N ATOM 1578 CA SER A 105 -1.904 -7.465 -1.238 1.00 0.00 C ATOM 1579 C SER A 105 -3.392 -7.215 -0.988 1.00 0.00 C ATOM 1580 O SER A 105 -3.782 -6.123 -0.578 1.00 0.00 O ATOM 1581 CB SER A 105 -1.160 -7.612 0.092 1.00 0.00 C ATOM 1582 OG SER A 105 -0.380 -8.804 0.138 1.00 0.00 O ATOM 0 H SER A 105 -1.446 -5.457 -1.623 1.00 0.00 H new ATOM 0 HA SER A 105 -1.787 -8.395 -1.794 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.512 -6.749 0.242 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.879 -7.617 0.911 1.00 0.00 H new ATOM 0 HG SER A 105 0.080 -8.861 1.001 1.00 0.00 H new ATOM 1588 N THR A 106 -4.184 -8.245 -1.247 1.00 0.00 N ATOM 1589 CA THR A 106 -5.621 -8.151 -1.056 1.00 0.00 C ATOM 1590 C THR A 106 -5.970 -8.261 0.430 1.00 0.00 C ATOM 1591 O THR A 106 -5.422 -9.103 1.139 1.00 0.00 O ATOM 1592 CB THR A 106 -6.285 -9.228 -1.917 1.00 0.00 C ATOM 1593 OG1 THR A 106 -5.448 -9.317 -3.067 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.637 -8.781 -2.475 1.00 0.00 C ATOM 0 H THR A 106 -3.857 -9.149 -1.588 1.00 0.00 H new ATOM 0 HA THR A 106 -5.999 -7.180 -1.376 1.00 0.00 H new ATOM 0 HB THR A 106 -6.418 -10.134 -1.326 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.370 -8.434 -3.484 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.065 -9.582 -3.078 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.311 -8.548 -1.651 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.500 -7.894 -3.094 1.00 0.00 H new ATOM 1602 N ILE A 107 -6.880 -7.398 0.857 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.309 -7.387 2.245 1.00 0.00 C ATOM 1604 C ILE A 107 -8.780 -6.975 2.317 1.00 0.00 C ATOM 1605 O ILE A 107 -9.185 -5.996 1.692 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.381 -6.507 3.085 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -6.922 -6.341 4.507 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -6.137 -5.160 2.403 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -6.774 -7.637 5.306 1.00 0.00 C ATOM 0 H ILE A 107 -7.332 -6.701 0.266 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.237 -8.386 2.674 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.415 -7.006 3.164 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.388 -5.536 5.011 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -7.972 -6.051 4.469 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.474 -4.554 3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.676 -5.324 1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.087 -4.641 2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.166 -7.491 6.312 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.330 -8.434 4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -5.720 -7.911 5.363 1.00 0.00 H new ATOM 1621 N SER A 108 -9.540 -7.741 3.086 1.00 0.00 N ATOM 1622 CA SER A 108 -10.957 -7.468 3.248 1.00 0.00 C ATOM 1623 C SER A 108 -11.206 -6.770 4.587 1.00 0.00 C ATOM 1624 O SER A 108 -10.935 -7.335 5.645 1.00 0.00 O ATOM 1625 CB SER A 108 -11.781 -8.754 3.159 1.00 0.00 C ATOM 1626 OG SER A 108 -13.009 -8.652 3.874 1.00 0.00 O ATOM 0 H SER A 108 -9.200 -8.551 3.604 1.00 0.00 H new ATOM 0 HA SER A 108 -11.272 -6.810 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 108 -11.988 -8.980 2.113 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.199 -9.586 3.555 1.00 0.00 H new ATOM 0 HG SER A 108 -13.506 -9.492 3.792 1.00 0.00 H new ATOM 1632 N SER A 109 -11.719 -5.552 4.497 1.00 0.00 N ATOM 1633 CA SER A 109 -12.008 -4.771 5.688 1.00 0.00 C ATOM 1634 C SER A 109 -12.549 -5.682 6.792 1.00 0.00 C ATOM 1635 O SER A 109 -13.188 -6.694 6.509 1.00 0.00 O ATOM 1636 CB SER A 109 -13.007 -3.653 5.385 1.00 0.00 C ATOM 1637 OG SER A 109 -14.207 -4.153 4.802 1.00 0.00 O ATOM 0 H SER A 109 -11.942 -5.086 3.617 1.00 0.00 H new ATOM 0 HA SER A 109 -11.081 -4.310 6.028 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.246 -3.121 6.306 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.549 -2.931 4.709 1.00 0.00 H new ATOM 0 HG SER A 109 -14.652 -3.436 4.304 1.00 0.00 H new ATOM 1643 N GLY A 110 -12.272 -5.290 8.027 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.723 -6.058 9.175 1.00 0.00 C ATOM 1645 C GLY A 110 -14.251 -6.097 9.243 1.00 0.00 C ATOM 1646 O GLY A 110 -14.883 -6.943 8.612 1.00 0.00 O ATOM 0 H GLY A 110 -11.741 -4.450 8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.332 -7.074 9.114 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.326 -5.618 10.090 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.801 -5.169 10.013 1.00 0.00 N ATOM 1651 CA VAL A 111 -16.243 -5.087 10.171 1.00 0.00 C ATOM 1652 C VAL A 111 -16.591 -3.846 10.995 1.00 0.00 C ATOM 1653 O VAL A 111 -15.876 -3.499 11.934 1.00 0.00 O ATOM 1654 CB VAL A 111 -16.777 -6.382 10.786 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -16.104 -6.669 12.130 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -18.299 -6.332 10.934 1.00 0.00 C ATOM 0 H VAL A 111 -14.274 -4.468 10.534 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.728 -4.980 9.201 1.00 0.00 H new ATOM 0 HB VAL A 111 -16.533 -7.200 10.108 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -16.502 -7.595 12.546 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -15.028 -6.769 11.984 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -16.302 -5.848 12.819 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -18.653 -7.265 11.373 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -18.575 -5.499 11.581 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -18.756 -6.197 9.954 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.719 -3.194 10.605 1.00 0.00 N ATOM 1667 CA PRO A 112 -18.171 -1.999 11.297 1.00 0.00 C ATOM 1668 C PRO A 112 -18.800 -2.352 12.646 1.00 0.00 C ATOM 1669 O PRO A 112 -19.710 -3.177 12.714 1.00 0.00 O ATOM 1670 CB PRO A 112 -19.149 -1.336 10.341 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.561 -2.415 9.353 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.591 -3.576 9.498 1.00 0.00 C ATOM 0 HA PRO A 112 -17.354 -1.321 11.543 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -20.014 -0.945 10.876 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.684 -0.494 9.828 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.581 -2.743 9.550 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.542 -2.027 8.335 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -19.117 -4.507 9.711 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -18.022 -3.733 8.582 1.00 0.00 H new ATOM 1680 N PRO A 113 -18.277 -1.693 13.715 1.00 0.00 N ATOM 1681 CA PRO A 113 -18.778 -1.928 15.058 1.00 0.00 C ATOM 1682 C PRO A 113 -20.136 -1.254 15.263 1.00 0.00 C ATOM 1683 O PRO A 113 -20.887 -1.625 16.164 1.00 0.00 O ATOM 1684 CB PRO A 113 -17.700 -1.385 15.981 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.854 -0.451 15.130 1.00 0.00 C ATOM 1686 CD PRO A 113 -17.199 -0.709 13.672 1.00 0.00 C ATOM 0 HA PRO A 113 -18.961 -2.983 15.259 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -18.140 -0.854 16.825 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -17.095 -2.193 16.393 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -17.053 0.588 15.391 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.793 -0.628 15.308 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -17.518 0.206 13.173 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -16.338 -1.089 13.122 1.00 0.00 H new