USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 675 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 88 GLN : amide:sc= -1.1 K(o=-0.73,f=-0.21) USER MOD Set 1.2: A 93 TYR OH : rot -15:sc= 0.371 USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= 0.0281 USER MOD Set 2.2: A 83 THR OG1 : rot -82:sc= 0.0299 USER MOD Set 3.1: A 29 SER OG : rot -135:sc= -0.0055 USER MOD Set 3.2: A 30 HIS : no HD1:sc= -1.73! C(o=-2.5!,f=-2.2!) USER MOD Set 3.3: A 32 THR OG1 : rot 180:sc= -0.783 USER MOD Single : A 17 ASN : amide:sc= -3.48 K(o=-3.5,f=-7.4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot -48:sc= 0.088 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 36 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.13) USER MOD Single : A 39 SER OG : rot 180:sc= -0.128 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 15:sc= -0.622 USER MOD Single : A 51 GLN : amide:sc= -0.0164 K(o=-0.016,f=-1.6) USER MOD Single : A 52 TYR OH : rot 137:sc= 0.00475 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -113:sc= -0.896 (180deg=-1.34) USER MOD Single : A 76 ASN : amide:sc=-0.00609 X(o=-0.0061,f=-0.16) USER MOD Single : A 78 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0196) USER MOD Single : A 79 GLN : amide:sc= -0.935 K(o=-0.93,f=-1.5) USER MOD Single : A 80 ASN : amide:sc= -0.573 K(o=-0.57,f=-2.7!) USER MOD Single : A 81 HIS : no HD1:sc=-0.00335 X(o=-0.0033,f=-0.0021) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0221 USER MOD Single : A 85 HIS : no HD1:sc= -3.13 K(o=-3.1,f=-0.63) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 70:sc= 1.26 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -3.5! C(o=-3.5!,f=-18!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 SER OG : rot 33:sc= -2.67 USER MOD Single : A 107 ASN : amide:sc= -1.17 K(o=-1.2,f=-4.7!) USER MOD Single : A 108 SER OG : rot -89:sc= 0.46 USER MOD Single : A 111 THR OG1 : rot -120:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot -166:sc= 0.794 USER MOD Single : A 116 ASN : amide:sc= -0.53 X(o=-0.53,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -4.221 -16.623 -5.625 1.00 0.00 N ATOM 174 CA ALA A 15 -4.191 -15.171 -5.504 1.00 0.00 C ATOM 175 C ALA A 15 -3.460 -14.740 -4.237 1.00 0.00 C ATOM 176 O ALA A 15 -3.556 -15.379 -3.189 1.00 0.00 O ATOM 177 CB ALA A 15 -5.606 -14.611 -5.515 1.00 0.00 C ATOM 0 HA ALA A 15 -3.647 -14.772 -6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.568 -13.525 -5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.096 -14.880 -6.451 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.168 -15.026 -4.678 1.00 0.00 H new ATOM 183 N PRO A 16 -2.710 -13.632 -4.333 1.00 0.00 N ATOM 184 CA PRO A 16 -1.948 -13.092 -3.203 1.00 0.00 C ATOM 185 C PRO A 16 -2.850 -12.507 -2.122 1.00 0.00 C ATOM 186 O PRO A 16 -3.674 -11.634 -2.393 1.00 0.00 O ATOM 187 CB PRO A 16 -1.097 -11.992 -3.843 1.00 0.00 C ATOM 188 CG PRO A 16 -1.860 -11.580 -5.055 1.00 0.00 C ATOM 189 CD PRO A 16 -2.550 -12.820 -5.551 1.00 0.00 C ATOM 0 HA PRO A 16 -1.365 -13.863 -2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.955 -11.154 -3.161 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.105 -12.361 -4.106 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.583 -10.801 -4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.194 -11.173 -5.816 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.512 -12.589 -6.009 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.955 -13.337 -6.303 1.00 0.00 H new ATOM 197 N ASN A 17 -2.688 -12.993 -0.895 1.00 0.00 N ATOM 198 CA ASN A 17 -3.488 -12.518 0.227 1.00 0.00 C ATOM 199 C ASN A 17 -3.483 -10.993 0.292 1.00 0.00 C ATOM 200 O ASN A 17 -2.459 -10.342 0.087 1.00 0.00 O ATOM 201 CB ASN A 17 -2.958 -13.097 1.540 1.00 0.00 C ATOM 202 CG ASN A 17 -3.652 -12.510 2.754 1.00 0.00 C ATOM 203 OD1 ASN A 17 -3.602 -11.302 2.988 1.00 0.00 O ATOM 204 ND2 ASN A 17 -4.306 -13.364 3.532 1.00 0.00 N ATOM 0 H ASN A 17 -2.010 -13.715 -0.653 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.514 -12.854 0.077 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.091 -14.179 1.537 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.887 -12.908 1.611 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.794 -13.027 4.362 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.321 -14.357 3.300 1.00 0.00 H new ATOM 211 N PRO A 18 -4.655 -10.410 0.584 1.00 0.00 N ATOM 212 CA PRO A 18 -4.812 -8.956 0.683 1.00 0.00 C ATOM 213 C PRO A 18 -4.109 -8.379 1.907 1.00 0.00 C ATOM 214 O PRO A 18 -4.259 -8.868 3.027 1.00 0.00 O ATOM 215 CB PRO A 18 -6.327 -8.770 0.801 1.00 0.00 C ATOM 216 CG PRO A 18 -6.823 -10.051 1.377 1.00 0.00 C ATOM 217 CD PRO A 18 -5.917 -11.124 0.839 1.00 0.00 C ATOM 0 HA PRO A 18 -4.370 -8.440 -0.169 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.573 -7.925 1.444 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.778 -8.572 -0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.795 -10.026 2.466 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.858 -10.234 1.089 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.783 -11.933 1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.318 -11.569 -0.072 1.00 0.00 H new ATOM 225 N PRO A 19 -3.322 -7.315 1.692 1.00 0.00 N ATOM 226 CA PRO A 19 -2.580 -6.648 2.766 1.00 0.00 C ATOM 227 C PRO A 19 -3.498 -5.898 3.726 1.00 0.00 C ATOM 228 O PRO A 19 -4.656 -5.630 3.409 1.00 0.00 O ATOM 229 CB PRO A 19 -1.674 -5.668 2.017 1.00 0.00 C ATOM 230 CG PRO A 19 -2.383 -5.403 0.733 1.00 0.00 C ATOM 231 CD PRO A 19 -3.096 -6.679 0.383 1.00 0.00 C ATOM 0 HA PRO A 19 -2.038 -7.359 3.389 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.528 -4.750 2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.686 -6.095 1.843 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.088 -4.579 0.839 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.679 -5.122 -0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.034 -6.485 -0.137 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.494 -7.309 -0.271 1.00 0.00 H new ATOM 239 N SER A 20 -2.972 -5.562 4.899 1.00 0.00 N ATOM 240 CA SER A 20 -3.746 -4.846 5.906 1.00 0.00 C ATOM 241 C SER A 20 -3.109 -3.496 6.222 1.00 0.00 C ATOM 242 O SER A 20 -2.101 -3.422 6.926 1.00 0.00 O ATOM 243 CB SER A 20 -3.857 -5.681 7.183 1.00 0.00 C ATOM 244 OG SER A 20 -5.006 -6.510 7.152 1.00 0.00 O ATOM 0 H SER A 20 -2.013 -5.774 5.176 1.00 0.00 H new ATOM 0 HA SER A 20 -4.745 -4.672 5.505 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.964 -6.296 7.298 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.904 -5.021 8.050 1.00 0.00 H new ATOM 0 HG SER A 20 -5.053 -7.035 7.978 1.00 0.00 H new ATOM 250 N ILE A 21 -3.704 -2.431 5.696 1.00 0.00 N ATOM 251 CA ILE A 21 -3.197 -1.083 5.922 1.00 0.00 C ATOM 252 C ILE A 21 -3.513 -0.606 7.336 1.00 0.00 C ATOM 253 O ILE A 21 -4.663 -0.304 7.657 1.00 0.00 O ATOM 254 CB ILE A 21 -3.786 -0.082 4.911 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.335 -0.433 3.491 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.373 1.338 5.268 1.00 0.00 C ATOM 257 CD1 ILE A 21 -4.122 0.279 2.414 1.00 0.00 C ATOM 0 H ILE A 21 -4.538 -2.475 5.110 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.116 -1.127 5.789 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.873 -0.144 4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.279 -0.185 3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.426 -1.509 3.345 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.797 2.033 4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.739 1.584 6.265 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.286 1.416 5.252 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.748 -0.017 1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.176 0.012 2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.010 1.357 2.534 1.00 0.00 H new ATOM 269 N ARG A 22 -2.486 -0.539 8.176 1.00 0.00 N ATOM 270 CA ARG A 22 -2.654 -0.098 9.555 1.00 0.00 C ATOM 271 C ARG A 22 -2.859 1.412 9.622 1.00 0.00 C ATOM 272 O ARG A 22 -2.038 2.182 9.124 1.00 0.00 O ATOM 273 CB ARG A 22 -1.437 -0.496 10.392 1.00 0.00 C ATOM 274 CG ARG A 22 -1.164 -1.991 10.399 1.00 0.00 C ATOM 275 CD ARG A 22 -2.103 -2.724 11.344 1.00 0.00 C ATOM 276 NE ARG A 22 -1.651 -2.652 12.731 1.00 0.00 N ATOM 277 CZ ARG A 22 -1.992 -3.535 13.662 1.00 0.00 C ATOM 278 NH1 ARG A 22 -2.784 -4.554 13.356 1.00 0.00 N ATOM 279 NH2 ARG A 22 -1.539 -3.402 14.902 1.00 0.00 N ATOM 0 H ARG A 22 -1.528 -0.785 7.926 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.540 -0.586 9.960 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.558 0.023 10.009 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.586 -0.158 11.417 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.279 -2.388 9.390 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.131 -2.172 10.697 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.102 -2.296 11.266 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.179 -3.768 11.041 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.040 -1.881 12.999 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.133 -4.661 12.403 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.044 -5.231 14.073 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.928 -2.621 15.141 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.802 -4.081 15.616 1.00 0.00 H new ATOM 293 N GLU A 23 -3.960 1.828 10.239 1.00 0.00 N ATOM 294 CA GLU A 23 -4.273 3.247 10.369 1.00 0.00 C ATOM 295 C GLU A 23 -3.641 3.830 11.629 1.00 0.00 C ATOM 296 O GLU A 23 -3.464 5.042 11.742 1.00 0.00 O ATOM 297 CB GLU A 23 -5.788 3.457 10.401 1.00 0.00 C ATOM 298 CG GLU A 23 -6.458 3.268 9.050 1.00 0.00 C ATOM 299 CD GLU A 23 -7.971 3.227 9.149 1.00 0.00 C ATOM 300 OE1 GLU A 23 -8.543 4.099 9.837 1.00 0.00 O ATOM 301 OE2 GLU A 23 -8.581 2.325 8.540 1.00 0.00 O ATOM 0 H GLU A 23 -4.650 1.204 10.657 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.860 3.765 9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.228 2.761 11.116 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.999 4.463 10.764 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.163 4.080 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.102 2.342 8.599 1.00 0.00 H new ATOM 308 N GLU A 24 -3.304 2.957 12.574 1.00 0.00 N ATOM 309 CA GLU A 24 -2.693 3.386 13.826 1.00 0.00 C ATOM 310 C GLU A 24 -1.184 3.553 13.667 1.00 0.00 C ATOM 311 O GLU A 24 -0.559 4.349 14.368 1.00 0.00 O ATOM 312 CB GLU A 24 -2.991 2.377 14.937 1.00 0.00 C ATOM 313 CG GLU A 24 -2.257 1.056 14.772 1.00 0.00 C ATOM 314 CD GLU A 24 -2.642 0.039 15.829 1.00 0.00 C ATOM 315 OE1 GLU A 24 -3.839 -0.307 15.912 1.00 0.00 O ATOM 316 OE2 GLU A 24 -1.746 -0.410 16.573 1.00 0.00 O ATOM 0 H GLU A 24 -3.444 1.950 12.496 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.121 4.351 14.097 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.720 2.816 15.897 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.064 2.186 14.965 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.471 0.647 13.785 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.183 1.233 14.818 1.00 0.00 H new ATOM 323 N LEU A 25 -0.606 2.796 12.741 1.00 0.00 N ATOM 324 CA LEU A 25 0.829 2.858 12.488 1.00 0.00 C ATOM 325 C LEU A 25 1.150 3.906 11.427 1.00 0.00 C ATOM 326 O LEU A 25 2.228 4.502 11.436 1.00 0.00 O ATOM 327 CB LEU A 25 1.348 1.490 12.044 1.00 0.00 C ATOM 328 CG LEU A 25 1.040 0.319 12.978 1.00 0.00 C ATOM 329 CD1 LEU A 25 1.599 -0.977 12.412 1.00 0.00 C ATOM 330 CD2 LEU A 25 1.602 0.583 14.367 1.00 0.00 C ATOM 0 H LEU A 25 -1.109 2.132 12.153 1.00 0.00 H new ATOM 0 HA LEU A 25 1.325 3.144 13.416 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.929 1.266 11.063 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.429 1.556 11.922 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.042 0.219 13.059 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.370 -1.799 13.090 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.149 -1.173 11.439 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.680 -0.889 12.300 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.373 -0.261 15.018 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.683 0.711 14.304 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.153 1.489 14.775 1.00 0.00 H new ATOM 342 N CYS A 26 0.209 4.127 10.517 1.00 0.00 N ATOM 343 CA CYS A 26 0.391 5.104 9.450 1.00 0.00 C ATOM 344 C CYS A 26 0.526 6.512 10.020 1.00 0.00 C ATOM 345 O CYS A 26 -0.194 6.892 10.944 1.00 0.00 O ATOM 346 CB CYS A 26 -0.784 5.047 8.472 1.00 0.00 C ATOM 347 SG CYS A 26 -2.270 5.898 9.053 1.00 0.00 S ATOM 0 H CYS A 26 -0.688 3.643 10.496 1.00 0.00 H new ATOM 0 HA CYS A 26 1.310 4.857 8.918 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.475 5.485 7.523 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.029 4.003 8.276 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.522 5.543 10.278 1.00 0.00 H new ATOM 353 N THR A 27 1.455 7.284 9.464 1.00 0.00 N ATOM 354 CA THR A 27 1.687 8.649 9.918 1.00 0.00 C ATOM 355 C THR A 27 1.413 9.653 8.804 1.00 0.00 C ATOM 356 O THR A 27 1.601 9.354 7.626 1.00 0.00 O ATOM 357 CB THR A 27 3.132 8.836 10.419 1.00 0.00 C ATOM 358 OG1 THR A 27 4.052 8.665 9.335 1.00 0.00 O ATOM 359 CG2 THR A 27 3.454 7.844 11.526 1.00 0.00 C ATOM 0 H THR A 27 2.059 6.986 8.698 1.00 0.00 H new ATOM 0 HA THR A 27 0.998 8.829 10.743 1.00 0.00 H new ATOM 0 HB THR A 27 3.227 9.845 10.819 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.968 8.787 9.661 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.479 7.995 11.863 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.771 7.997 12.361 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.343 6.828 11.148 1.00 0.00 H new ATOM 367 N ALA A 28 0.968 10.846 9.186 1.00 0.00 N ATOM 368 CA ALA A 28 0.671 11.895 8.219 1.00 0.00 C ATOM 369 C ALA A 28 1.553 13.118 8.447 1.00 0.00 C ATOM 370 O ALA A 28 1.702 13.586 9.576 1.00 0.00 O ATOM 371 CB ALA A 28 -0.799 12.281 8.294 1.00 0.00 C ATOM 0 H ALA A 28 0.805 11.110 10.158 1.00 0.00 H new ATOM 0 HA ALA A 28 0.883 11.507 7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.007 13.065 7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.416 11.410 8.074 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.029 12.645 9.295 1.00 0.00 H new ATOM 377 N SER A 29 2.136 13.632 7.369 1.00 0.00 N ATOM 378 CA SER A 29 3.007 14.798 7.453 1.00 0.00 C ATOM 379 C SER A 29 2.526 15.903 6.518 1.00 0.00 C ATOM 380 O SER A 29 1.676 15.678 5.656 1.00 0.00 O ATOM 381 CB SER A 29 4.446 14.412 7.107 1.00 0.00 C ATOM 382 OG SER A 29 5.332 15.496 7.327 1.00 0.00 O ATOM 0 H SER A 29 2.021 13.259 6.427 1.00 0.00 H new ATOM 0 HA SER A 29 2.975 15.172 8.476 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.753 13.559 7.712 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.501 14.099 6.064 1.00 0.00 H new ATOM 0 HG SER A 29 5.941 15.581 6.564 1.00 0.00 H new ATOM 388 N HIS A 30 3.077 17.100 6.694 1.00 0.00 N ATOM 389 CA HIS A 30 2.706 18.242 5.866 1.00 0.00 C ATOM 390 C HIS A 30 2.487 17.815 4.418 1.00 0.00 C ATOM 391 O HIS A 30 1.354 17.779 3.936 1.00 0.00 O ATOM 392 CB HIS A 30 3.788 19.320 5.933 1.00 0.00 C ATOM 393 CG HIS A 30 5.162 18.777 6.180 1.00 0.00 C ATOM 394 ND1 HIS A 30 5.649 18.509 7.441 1.00 0.00 N ATOM 395 CD2 HIS A 30 6.152 18.448 5.317 1.00 0.00 C ATOM 396 CE1 HIS A 30 6.881 18.042 7.345 1.00 0.00 C ATOM 397 NE2 HIS A 30 7.210 17.994 6.066 1.00 0.00 N ATOM 0 H HIS A 30 3.782 17.304 7.402 1.00 0.00 H new ATOM 0 HA HIS A 30 1.772 18.650 6.251 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.790 19.879 4.997 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.538 20.025 6.725 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.116 18.528 4.241 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.512 17.749 8.171 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.104 17.672 5.695 1.00 0.00 H new ATOM 406 N ASP A 31 3.576 17.491 3.729 1.00 0.00 N ATOM 407 CA ASP A 31 3.502 17.066 2.337 1.00 0.00 C ATOM 408 C ASP A 31 3.989 15.629 2.181 1.00 0.00 C ATOM 409 O ASP A 31 4.226 15.159 1.068 1.00 0.00 O ATOM 410 CB ASP A 31 4.333 17.997 1.452 1.00 0.00 C ATOM 411 CG ASP A 31 5.820 17.873 1.717 1.00 0.00 C ATOM 412 OD1 ASP A 31 6.247 16.812 2.217 1.00 0.00 O ATOM 413 OD2 ASP A 31 6.558 18.838 1.425 1.00 0.00 O ATOM 0 H ASP A 31 4.521 17.515 4.113 1.00 0.00 H new ATOM 0 HA ASP A 31 2.459 17.114 2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.134 17.771 0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.022 19.028 1.621 1.00 0.00 H new ATOM 418 N THR A 32 4.137 14.934 3.305 1.00 0.00 N ATOM 419 CA THR A 32 4.598 13.552 3.294 1.00 0.00 C ATOM 420 C THR A 32 3.672 12.657 4.111 1.00 0.00 C ATOM 421 O THR A 32 2.899 13.140 4.939 1.00 0.00 O ATOM 422 CB THR A 32 6.029 13.432 3.849 1.00 0.00 C ATOM 423 OG1 THR A 32 6.285 14.492 4.777 1.00 0.00 O ATOM 424 CG2 THR A 32 7.052 13.478 2.724 1.00 0.00 C ATOM 0 H THR A 32 3.944 15.307 4.235 1.00 0.00 H new ATOM 0 HA THR A 32 4.591 13.225 2.254 1.00 0.00 H new ATOM 0 HB THR A 32 6.117 12.473 4.360 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.197 14.408 5.127 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.055 13.391 3.141 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.873 12.652 2.035 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.962 14.423 2.189 1.00 0.00 H new ATOM 432 N ILE A 33 3.756 11.353 3.873 1.00 0.00 N ATOM 433 CA ILE A 33 2.926 10.391 4.588 1.00 0.00 C ATOM 434 C ILE A 33 3.530 8.993 4.529 1.00 0.00 C ATOM 435 O ILE A 33 3.960 8.534 3.470 1.00 0.00 O ATOM 436 CB ILE A 33 1.497 10.346 4.017 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.821 11.711 4.164 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.681 9.267 4.714 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.644 11.704 3.788 1.00 0.00 C ATOM 0 H ILE A 33 4.390 10.938 3.191 1.00 0.00 H new ATOM 0 HA ILE A 33 2.883 10.722 5.626 1.00 0.00 H new ATOM 0 HB ILE A 33 1.554 10.103 2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.921 12.048 5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.344 12.436 3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.327 9.248 4.299 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.155 8.297 4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.630 9.482 5.781 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.057 12.704 3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.751 11.398 2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.181 11.004 4.429 1.00 0.00 H new ATOM 451 N THR A 34 3.558 8.317 5.674 1.00 0.00 N ATOM 452 CA THR A 34 4.108 6.970 5.753 1.00 0.00 C ATOM 453 C THR A 34 3.025 5.952 6.090 1.00 0.00 C ATOM 454 O THR A 34 2.539 5.898 7.220 1.00 0.00 O ATOM 455 CB THR A 34 5.227 6.880 6.808 1.00 0.00 C ATOM 456 OG1 THR A 34 6.106 8.004 6.687 1.00 0.00 O ATOM 457 CG2 THR A 34 6.018 5.591 6.650 1.00 0.00 C ATOM 0 H THR A 34 3.206 8.681 6.559 1.00 0.00 H new ATOM 0 HA THR A 34 4.525 6.742 4.772 1.00 0.00 H new ATOM 0 HB THR A 34 4.766 6.885 7.796 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.814 7.940 7.362 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.802 5.550 7.406 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.351 4.738 6.773 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.468 5.560 5.658 1.00 0.00 H new ATOM 465 N VAL A 35 2.649 5.145 5.102 1.00 0.00 N ATOM 466 CA VAL A 35 1.624 4.127 5.295 1.00 0.00 C ATOM 467 C VAL A 35 2.244 2.785 5.668 1.00 0.00 C ATOM 468 O VAL A 35 3.174 2.315 5.012 1.00 0.00 O ATOM 469 CB VAL A 35 0.765 3.948 4.029 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.254 2.836 4.227 1.00 0.00 C ATOM 471 CG2 VAL A 35 0.077 5.255 3.664 1.00 0.00 C ATOM 0 H VAL A 35 3.039 5.177 4.160 1.00 0.00 H new ATOM 0 HA VAL A 35 0.989 4.470 6.112 1.00 0.00 H new ATOM 0 HB VAL A 35 1.419 3.665 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.851 2.725 3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.265 1.901 4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.906 3.085 5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.526 5.111 2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.565 5.570 4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.829 6.022 3.477 1.00 0.00 H new ATOM 481 N HIS A 36 1.723 2.172 6.727 1.00 0.00 N ATOM 482 CA HIS A 36 2.225 0.883 7.187 1.00 0.00 C ATOM 483 C HIS A 36 1.212 -0.225 6.912 1.00 0.00 C ATOM 484 O HIS A 36 0.065 -0.153 7.354 1.00 0.00 O ATOM 485 CB HIS A 36 2.543 0.940 8.682 1.00 0.00 C ATOM 486 CG HIS A 36 3.688 1.845 9.017 1.00 0.00 C ATOM 487 ND1 HIS A 36 4.722 1.474 9.850 1.00 0.00 N ATOM 488 CD2 HIS A 36 3.959 3.112 8.624 1.00 0.00 C ATOM 489 CE1 HIS A 36 5.579 2.474 9.956 1.00 0.00 C ATOM 490 NE2 HIS A 36 5.140 3.479 9.222 1.00 0.00 N ATOM 0 H HIS A 36 0.954 2.548 7.282 1.00 0.00 H new ATOM 0 HA HIS A 36 3.139 0.660 6.637 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.657 1.274 9.221 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.770 -0.066 9.035 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.359 3.720 7.964 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.485 2.470 10.544 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.603 4.382 9.116 1.00 0.00 H new ATOM 499 N TRP A 37 1.644 -1.246 6.181 1.00 0.00 N ATOM 500 CA TRP A 37 0.774 -2.368 5.847 1.00 0.00 C ATOM 501 C TRP A 37 1.318 -3.670 6.423 1.00 0.00 C ATOM 502 O TRP A 37 2.530 -3.885 6.456 1.00 0.00 O ATOM 503 CB TRP A 37 0.625 -2.490 4.329 1.00 0.00 C ATOM 504 CG TRP A 37 1.934 -2.454 3.600 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.771 -3.507 3.365 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.556 -1.306 3.012 1.00 0.00 C ATOM 507 NE1 TRP A 37 3.876 -3.083 2.667 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.767 -1.738 2.437 1.00 0.00 C ATOM 509 CE3 TRP A 37 2.206 0.043 2.913 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.629 -0.866 1.775 1.00 0.00 C ATOM 511 CZ3 TRP A 37 3.062 0.907 2.256 1.00 0.00 C ATOM 512 CH2 TRP A 37 4.262 0.449 1.693 1.00 0.00 C ATOM 0 H TRP A 37 2.591 -1.320 5.808 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.205 -2.180 6.287 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.112 -3.423 4.095 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.007 -1.679 3.967 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.591 -4.524 3.681 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.652 -3.674 2.369 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.283 0.404 3.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.554 -1.216 1.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.802 1.952 2.175 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.909 1.148 1.185 1.00 0.00 H new ATOM 523 N ILE A 38 0.417 -4.534 6.877 1.00 0.00 N ATOM 524 CA ILE A 38 0.809 -5.815 7.451 1.00 0.00 C ATOM 525 C ILE A 38 0.146 -6.973 6.713 1.00 0.00 C ATOM 526 O ILE A 38 -1.056 -6.950 6.452 1.00 0.00 O ATOM 527 CB ILE A 38 0.444 -5.897 8.945 1.00 0.00 C ATOM 528 CG1 ILE A 38 0.950 -7.211 9.544 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.061 -5.769 9.131 1.00 0.00 C ATOM 530 CD1 ILE A 38 2.369 -7.132 10.062 1.00 0.00 C ATOM 0 H ILE A 38 -0.590 -4.370 6.859 1.00 0.00 H new ATOM 0 HA ILE A 38 1.891 -5.891 7.345 1.00 0.00 H new ATOM 0 HB ILE A 38 0.926 -5.071 9.468 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.290 -7.507 10.359 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.891 -7.993 8.787 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.303 -5.829 10.192 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.396 -4.810 8.736 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.563 -6.576 8.598 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.661 -8.099 10.472 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.040 -6.867 9.245 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.430 -6.374 10.843 1.00 0.00 H new ATOM 542 N SER A 39 0.940 -7.987 6.381 1.00 0.00 N ATOM 543 CA SER A 39 0.431 -9.155 5.671 1.00 0.00 C ATOM 544 C SER A 39 1.044 -10.437 6.226 1.00 0.00 C ATOM 545 O SER A 39 2.098 -10.410 6.861 1.00 0.00 O ATOM 546 CB SER A 39 0.730 -9.039 4.176 1.00 0.00 C ATOM 547 OG SER A 39 0.583 -10.290 3.527 1.00 0.00 O ATOM 0 H SER A 39 1.937 -8.023 6.592 1.00 0.00 H new ATOM 0 HA SER A 39 -0.649 -9.196 5.816 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.058 -8.310 3.723 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.745 -8.669 4.033 1.00 0.00 H new ATOM 0 HG SER A 39 0.778 -10.188 2.572 1.00 0.00 H new ATOM 553 N ASP A 40 0.376 -11.559 5.980 1.00 0.00 N ATOM 554 CA ASP A 40 0.855 -12.853 6.454 1.00 0.00 C ATOM 555 C ASP A 40 1.496 -13.644 5.318 1.00 0.00 C ATOM 556 O ASP A 40 2.340 -14.510 5.550 1.00 0.00 O ATOM 557 CB ASP A 40 -0.296 -13.654 7.063 1.00 0.00 C ATOM 558 CG ASP A 40 -0.696 -13.143 8.433 1.00 0.00 C ATOM 559 OD1 ASP A 40 -1.258 -12.030 8.511 1.00 0.00 O ATOM 560 OD2 ASP A 40 -0.449 -13.856 9.428 1.00 0.00 O ATOM 0 H ASP A 40 -0.498 -11.599 5.456 1.00 0.00 H new ATOM 0 HA ASP A 40 1.610 -12.675 7.220 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.157 -13.611 6.397 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.005 -14.702 7.140 1.00 0.00 H new ATOM 565 N ASP A 41 1.089 -13.340 4.090 1.00 0.00 N ATOM 566 CA ASP A 41 1.624 -14.023 2.917 1.00 0.00 C ATOM 567 C ASP A 41 2.641 -13.145 2.194 1.00 0.00 C ATOM 568 O ASP A 41 2.779 -13.216 0.974 1.00 0.00 O ATOM 569 CB ASP A 41 0.492 -14.405 1.963 1.00 0.00 C ATOM 570 CG ASP A 41 0.744 -15.727 1.264 1.00 0.00 C ATOM 571 OD1 ASP A 41 1.926 -16.093 1.098 1.00 0.00 O ATOM 572 OD2 ASP A 41 -0.240 -16.395 0.883 1.00 0.00 O ATOM 0 H ASP A 41 0.391 -12.626 3.881 1.00 0.00 H new ATOM 0 HA ASP A 41 2.127 -14.930 3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.443 -14.464 2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.370 -13.620 1.216 1.00 0.00 H new ATOM 577 N GLU A 42 3.349 -12.317 2.956 1.00 0.00 N ATOM 578 CA GLU A 42 4.351 -11.425 2.387 1.00 0.00 C ATOM 579 C GLU A 42 5.649 -12.175 2.101 1.00 0.00 C ATOM 580 O GLU A 42 6.646 -11.580 1.693 1.00 0.00 O ATOM 581 CB GLU A 42 4.624 -10.256 3.337 1.00 0.00 C ATOM 582 CG GLU A 42 5.254 -10.676 4.654 1.00 0.00 C ATOM 583 CD GLU A 42 6.051 -9.560 5.301 1.00 0.00 C ATOM 584 OE1 GLU A 42 6.715 -8.801 4.566 1.00 0.00 O ATOM 585 OE2 GLU A 42 6.009 -9.447 6.545 1.00 0.00 O ATOM 0 H GLU A 42 3.247 -12.246 3.968 1.00 0.00 H new ATOM 0 HA GLU A 42 3.961 -11.037 1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.281 -9.542 2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.687 -9.738 3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.472 -11.003 5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.907 -11.532 4.484 1.00 0.00 H new ATOM 592 N PHE A 43 5.628 -13.486 2.320 1.00 0.00 N ATOM 593 CA PHE A 43 6.802 -14.319 2.088 1.00 0.00 C ATOM 594 C PHE A 43 6.880 -14.754 0.627 1.00 0.00 C ATOM 595 O PHE A 43 7.967 -14.930 0.078 1.00 0.00 O ATOM 596 CB PHE A 43 6.769 -15.549 2.997 1.00 0.00 C ATOM 597 CG PHE A 43 6.905 -15.219 4.456 1.00 0.00 C ATOM 598 CD1 PHE A 43 5.994 -14.382 5.079 1.00 0.00 C ATOM 599 CD2 PHE A 43 7.946 -15.747 5.205 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.117 -14.077 6.422 1.00 0.00 C ATOM 601 CE2 PHE A 43 8.073 -15.446 6.548 1.00 0.00 C ATOM 602 CZ PHE A 43 7.158 -14.609 7.157 1.00 0.00 C ATOM 0 H PHE A 43 4.811 -13.994 2.658 1.00 0.00 H new ATOM 0 HA PHE A 43 7.688 -13.728 2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.832 -16.083 2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.574 -16.226 2.709 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.178 -13.963 4.509 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.665 -16.400 4.734 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.400 -13.423 6.896 1.00 0.00 H new ATOM 0 HE2 PHE A 43 8.887 -15.865 7.121 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.257 -14.371 8.206 1.00 0.00 H new ATOM 612 N SER A 44 5.718 -14.926 0.004 1.00 0.00 N ATOM 613 CA SER A 44 5.654 -15.345 -1.391 1.00 0.00 C ATOM 614 C SER A 44 5.628 -14.135 -2.321 1.00 0.00 C ATOM 615 O SER A 44 6.311 -14.111 -3.345 1.00 0.00 O ATOM 616 CB SER A 44 4.416 -16.211 -1.628 1.00 0.00 C ATOM 617 OG SER A 44 4.495 -17.424 -0.900 1.00 0.00 O ATOM 0 H SER A 44 4.809 -14.782 0.443 1.00 0.00 H new ATOM 0 HA SER A 44 6.546 -15.931 -1.611 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.522 -15.662 -1.331 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.318 -16.427 -2.692 1.00 0.00 H new ATOM 0 HG SER A 44 3.691 -17.959 -1.067 1.00 0.00 H new ATOM 623 N ILE A 45 4.835 -13.134 -1.956 1.00 0.00 N ATOM 624 CA ILE A 45 4.720 -11.920 -2.756 1.00 0.00 C ATOM 625 C ILE A 45 6.073 -11.505 -3.321 1.00 0.00 C ATOM 626 O ILE A 45 7.073 -11.470 -2.604 1.00 0.00 O ATOM 627 CB ILE A 45 4.140 -10.755 -1.931 1.00 0.00 C ATOM 628 CG1 ILE A 45 2.717 -11.083 -1.475 1.00 0.00 C ATOM 629 CG2 ILE A 45 4.159 -9.470 -2.745 1.00 0.00 C ATOM 630 CD1 ILE A 45 2.121 -10.037 -0.559 1.00 0.00 C ATOM 0 H ILE A 45 4.262 -13.139 -1.112 1.00 0.00 H new ATOM 0 HA ILE A 45 4.040 -12.146 -3.577 1.00 0.00 H new ATOM 0 HB ILE A 45 4.760 -10.611 -1.046 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.079 -11.193 -2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.721 -12.044 -0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.746 -8.656 -2.149 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.185 -9.231 -3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.559 -9.601 -3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.112 -10.334 -0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.737 -9.943 0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.085 -9.078 -1.076 1.00 0.00 H new ATOM 642 N SER A 46 6.097 -11.188 -4.612 1.00 0.00 N ATOM 643 CA SER A 46 7.329 -10.776 -5.275 1.00 0.00 C ATOM 644 C SER A 46 7.644 -9.314 -4.975 1.00 0.00 C ATOM 645 O SER A 46 8.782 -8.965 -4.659 1.00 0.00 O ATOM 646 CB SER A 46 7.214 -10.985 -6.787 1.00 0.00 C ATOM 647 OG SER A 46 7.420 -12.344 -7.131 1.00 0.00 O ATOM 0 H SER A 46 5.278 -11.209 -5.219 1.00 0.00 H new ATOM 0 HA SER A 46 8.143 -11.391 -4.891 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.229 -10.666 -7.128 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.946 -10.362 -7.300 1.00 0.00 H new ATOM 0 HG SER A 46 7.340 -12.452 -8.102 1.00 0.00 H new ATOM 653 N SER A 47 6.628 -8.463 -5.076 1.00 0.00 N ATOM 654 CA SER A 47 6.797 -7.038 -4.820 1.00 0.00 C ATOM 655 C SER A 47 5.468 -6.394 -4.436 1.00 0.00 C ATOM 656 O SER A 47 4.399 -6.905 -4.769 1.00 0.00 O ATOM 657 CB SER A 47 7.376 -6.341 -6.052 1.00 0.00 C ATOM 658 OG SER A 47 6.626 -6.651 -7.214 1.00 0.00 O ATOM 0 H SER A 47 5.679 -8.736 -5.333 1.00 0.00 H new ATOM 0 HA SER A 47 7.491 -6.924 -3.987 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.380 -5.262 -5.895 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.413 -6.646 -6.193 1.00 0.00 H new ATOM 0 HG SER A 47 7.016 -6.192 -7.987 1.00 0.00 H new ATOM 664 N TYR A 48 5.544 -5.269 -3.733 1.00 0.00 N ATOM 665 CA TYR A 48 4.348 -4.556 -3.301 1.00 0.00 C ATOM 666 C TYR A 48 4.129 -3.301 -4.141 1.00 0.00 C ATOM 667 O TYR A 48 5.079 -2.709 -4.650 1.00 0.00 O ATOM 668 CB TYR A 48 4.460 -4.180 -1.822 1.00 0.00 C ATOM 669 CG TYR A 48 3.881 -5.219 -0.888 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.509 -5.421 -0.806 1.00 0.00 C ATOM 671 CD2 TYR A 48 4.706 -5.999 -0.087 1.00 0.00 C ATOM 672 CE1 TYR A 48 1.975 -6.368 0.046 1.00 0.00 C ATOM 673 CE2 TYR A 48 4.182 -6.950 0.766 1.00 0.00 C ATOM 674 CZ TYR A 48 2.816 -7.130 0.830 1.00 0.00 C ATOM 675 OH TYR A 48 2.290 -8.076 1.680 1.00 0.00 O ATOM 0 H TYR A 48 6.421 -4.832 -3.450 1.00 0.00 H new ATOM 0 HA TYR A 48 3.492 -5.217 -3.438 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.510 -4.025 -1.574 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.950 -3.231 -1.657 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.848 -4.827 -1.420 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.776 -5.859 -0.132 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.906 -6.511 0.098 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.838 -7.550 1.380 1.00 0.00 H new ATOM 0 HH TYR A 48 1.355 -8.247 1.441 1.00 0.00 H new ATOM 685 N GLU A 49 2.868 -2.903 -4.279 1.00 0.00 N ATOM 686 CA GLU A 49 2.523 -1.719 -5.057 1.00 0.00 C ATOM 687 C GLU A 49 1.722 -0.729 -4.216 1.00 0.00 C ATOM 688 O GLU A 49 0.732 -1.095 -3.581 1.00 0.00 O ATOM 689 CB GLU A 49 1.722 -2.113 -6.300 1.00 0.00 C ATOM 690 CG GLU A 49 1.926 -1.175 -7.478 1.00 0.00 C ATOM 691 CD GLU A 49 3.075 -1.601 -8.372 1.00 0.00 C ATOM 692 OE1 GLU A 49 3.194 -2.814 -8.645 1.00 0.00 O ATOM 693 OE2 GLU A 49 3.854 -0.723 -8.796 1.00 0.00 O ATOM 0 H GLU A 49 2.070 -3.382 -3.863 1.00 0.00 H new ATOM 0 HA GLU A 49 3.450 -1.238 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.003 -3.123 -6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.662 -2.139 -6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.009 -1.132 -8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.114 -0.167 -7.107 1.00 0.00 H new ATOM 700 N LEU A 50 2.157 0.526 -4.216 1.00 0.00 N ATOM 701 CA LEU A 50 1.482 1.570 -3.452 1.00 0.00 C ATOM 702 C LEU A 50 0.729 2.520 -4.377 1.00 0.00 C ATOM 703 O LEU A 50 1.306 3.082 -5.308 1.00 0.00 O ATOM 704 CB LEU A 50 2.495 2.352 -2.614 1.00 0.00 C ATOM 705 CG LEU A 50 1.911 3.274 -1.543 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.389 2.463 -0.367 1.00 0.00 C ATOM 707 CD2 LEU A 50 2.953 4.280 -1.079 1.00 0.00 C ATOM 0 H LEU A 50 2.974 0.846 -4.736 1.00 0.00 H new ATOM 0 HA LEU A 50 0.762 1.092 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.161 1.639 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.107 2.952 -3.287 1.00 0.00 H new ATOM 0 HG LEU A 50 1.076 3.822 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.977 3.136 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.610 1.783 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.206 1.888 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.519 4.928 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.809 3.750 -0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.278 4.884 -1.926 1.00 0.00 H new ATOM 719 N GLN A 51 -0.561 2.697 -4.112 1.00 0.00 N ATOM 720 CA GLN A 51 -1.392 3.581 -4.921 1.00 0.00 C ATOM 721 C GLN A 51 -1.928 4.739 -4.085 1.00 0.00 C ATOM 722 O GLN A 51 -2.529 4.532 -3.031 1.00 0.00 O ATOM 723 CB GLN A 51 -2.555 2.801 -5.536 1.00 0.00 C ATOM 724 CG GLN A 51 -2.152 1.443 -6.088 1.00 0.00 C ATOM 725 CD GLN A 51 -3.346 0.580 -6.445 1.00 0.00 C ATOM 726 OE1 GLN A 51 -4.488 0.918 -6.128 1.00 0.00 O ATOM 727 NE2 GLN A 51 -3.090 -0.542 -7.108 1.00 0.00 N ATOM 0 H GLN A 51 -1.053 2.241 -3.344 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.774 3.989 -5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.328 2.662 -4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.996 3.394 -6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.533 1.584 -6.974 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.540 0.923 -5.351 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.129 -0.783 -7.350 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.854 -1.162 -7.375 1.00 0.00 H new ATOM 736 N TYR A 52 -1.705 5.959 -4.562 1.00 0.00 N ATOM 737 CA TYR A 52 -2.162 7.151 -3.858 1.00 0.00 C ATOM 738 C TYR A 52 -2.751 8.167 -4.832 1.00 0.00 C ATOM 739 O TYR A 52 -2.296 8.292 -5.969 1.00 0.00 O ATOM 740 CB TYR A 52 -1.007 7.784 -3.080 1.00 0.00 C ATOM 741 CG TYR A 52 0.082 8.347 -3.965 1.00 0.00 C ATOM 742 CD1 TYR A 52 1.132 7.549 -4.402 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.061 9.677 -4.365 1.00 0.00 C ATOM 744 CE1 TYR A 52 2.130 8.059 -5.209 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.053 10.196 -5.174 1.00 0.00 C ATOM 746 CZ TYR A 52 2.086 9.383 -5.593 1.00 0.00 C ATOM 747 OH TYR A 52 3.077 9.895 -6.399 1.00 0.00 O ATOM 0 H TYR A 52 -1.210 6.148 -5.434 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.942 6.852 -3.158 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.399 8.581 -2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.574 7.036 -2.416 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.168 6.511 -4.105 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.745 10.317 -4.038 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.940 7.425 -5.537 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.020 11.232 -5.477 1.00 0.00 H new ATOM 0 HH TYR A 52 2.676 10.458 -7.093 1.00 0.00 H new ATOM 757 N THR A 53 -3.768 8.892 -4.377 1.00 0.00 N ATOM 758 CA THR A 53 -4.421 9.897 -5.206 1.00 0.00 C ATOM 759 C THR A 53 -5.097 10.962 -4.349 1.00 0.00 C ATOM 760 O THR A 53 -5.497 10.698 -3.215 1.00 0.00 O ATOM 761 CB THR A 53 -5.471 9.262 -6.136 1.00 0.00 C ATOM 762 OG1 THR A 53 -5.896 10.214 -7.118 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.673 8.773 -5.343 1.00 0.00 C ATOM 0 H THR A 53 -4.157 8.802 -3.439 1.00 0.00 H new ATOM 0 HA THR A 53 -3.643 10.361 -5.812 1.00 0.00 H new ATOM 0 HB THR A 53 -5.013 8.407 -6.634 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.562 9.802 -7.706 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.401 8.329 -6.022 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.351 8.026 -4.617 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.130 9.613 -4.820 1.00 0.00 H new ATOM 771 N ILE A 54 -5.221 12.166 -4.898 1.00 0.00 N ATOM 772 CA ILE A 54 -5.850 13.270 -4.184 1.00 0.00 C ATOM 773 C ILE A 54 -7.370 13.164 -4.238 1.00 0.00 C ATOM 774 O ILE A 54 -7.979 13.352 -5.292 1.00 0.00 O ATOM 775 CB ILE A 54 -5.420 14.631 -4.761 1.00 0.00 C ATOM 776 CG1 ILE A 54 -3.932 14.873 -4.501 1.00 0.00 C ATOM 777 CG2 ILE A 54 -6.257 15.750 -4.160 1.00 0.00 C ATOM 778 CD1 ILE A 54 -3.267 15.737 -5.550 1.00 0.00 C ATOM 0 H ILE A 54 -4.894 12.401 -5.835 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.520 13.204 -3.147 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.584 14.620 -5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.814 15.345 -3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.419 13.912 -4.455 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.941 16.706 -4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.309 15.583 -4.392 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.122 15.765 -3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.214 15.866 -5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.353 15.257 -6.525 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.754 16.711 -5.581 1.00 0.00 H new ATOM 790 N PHE A 55 -7.978 12.864 -3.095 1.00 0.00 N ATOM 791 CA PHE A 55 -9.428 12.734 -3.012 1.00 0.00 C ATOM 792 C PHE A 55 -10.086 14.098 -2.824 1.00 0.00 C ATOM 793 O PHE A 55 -10.017 14.692 -1.747 1.00 0.00 O ATOM 794 CB PHE A 55 -9.813 11.807 -1.857 1.00 0.00 C ATOM 795 CG PHE A 55 -11.295 11.603 -1.721 1.00 0.00 C ATOM 796 CD1 PHE A 55 -12.082 12.550 -1.086 1.00 0.00 C ATOM 797 CD2 PHE A 55 -11.900 10.464 -2.227 1.00 0.00 C ATOM 798 CE1 PHE A 55 -13.446 12.364 -0.959 1.00 0.00 C ATOM 799 CE2 PHE A 55 -13.263 10.273 -2.103 1.00 0.00 C ATOM 800 CZ PHE A 55 -14.037 11.225 -1.468 1.00 0.00 C ATOM 0 H PHE A 55 -7.489 12.706 -2.214 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.783 12.304 -3.948 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.333 10.839 -2.003 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.424 12.219 -0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.625 13.443 -0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.299 9.717 -2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -14.049 13.109 -0.462 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.723 9.381 -2.502 1.00 0.00 H new ATOM 0 HZ PHE A 55 -15.103 11.078 -1.370 1.00 0.00 H new ATOM 1050 N MET A 72 -1.363 7.676 -9.174 1.00 0.00 N ATOM 1051 CA MET A 72 0.091 7.571 -9.138 1.00 0.00 C ATOM 1052 C MET A 72 0.528 6.316 -8.390 1.00 0.00 C ATOM 1053 O MET A 72 0.131 6.094 -7.245 1.00 0.00 O ATOM 1054 CB MET A 72 0.697 8.810 -8.476 1.00 0.00 C ATOM 1055 CG MET A 72 0.647 10.053 -9.350 1.00 0.00 C ATOM 1056 SD MET A 72 0.507 11.573 -8.390 1.00 0.00 S ATOM 1057 CE MET A 72 -1.078 11.326 -7.593 1.00 0.00 C ATOM 0 HA MET A 72 0.450 7.504 -10.165 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.167 9.010 -7.544 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.734 8.601 -8.215 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.547 10.097 -9.964 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.200 9.979 -10.032 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.795 12.052 -7.977 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.436 10.318 -7.800 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.969 11.458 -6.517 1.00 0.00 H new ATOM 1067 N ILE A 73 1.347 5.498 -9.043 1.00 0.00 N ATOM 1068 CA ILE A 73 1.837 4.266 -8.438 1.00 0.00 C ATOM 1069 C ILE A 73 3.345 4.324 -8.217 1.00 0.00 C ATOM 1070 O ILE A 73 4.047 5.105 -8.858 1.00 0.00 O ATOM 1071 CB ILE A 73 1.504 3.040 -9.309 1.00 0.00 C ATOM 1072 CG1 ILE A 73 -0.004 2.955 -9.553 1.00 0.00 C ATOM 1073 CG2 ILE A 73 2.011 1.767 -8.648 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -0.834 3.406 -8.372 1.00 0.00 C ATOM 0 H ILE A 73 1.685 5.666 -9.991 1.00 0.00 H new ATOM 0 HA ILE A 73 1.335 4.165 -7.476 1.00 0.00 H new ATOM 0 HB ILE A 73 2.004 3.150 -10.271 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.258 3.565 -10.420 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.266 1.926 -9.799 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.768 0.910 -9.276 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.092 1.829 -8.521 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.537 1.649 -7.674 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.893 3.319 -8.617 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.608 2.780 -7.508 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.600 4.445 -8.138 1.00 0.00 H new ATOM 1086 N VAL A 74 3.836 3.490 -7.306 1.00 0.00 N ATOM 1087 CA VAL A 74 5.262 3.444 -7.002 1.00 0.00 C ATOM 1088 C VAL A 74 5.760 2.005 -6.920 1.00 0.00 C ATOM 1089 O VAL A 74 5.745 1.376 -5.862 1.00 0.00 O ATOM 1090 CB VAL A 74 5.576 4.161 -5.676 1.00 0.00 C ATOM 1091 CG1 VAL A 74 7.049 4.013 -5.325 1.00 0.00 C ATOM 1092 CG2 VAL A 74 5.184 5.628 -5.757 1.00 0.00 C ATOM 0 H VAL A 74 3.268 2.837 -6.766 1.00 0.00 H new ATOM 0 HA VAL A 74 5.776 3.957 -7.815 1.00 0.00 H new ATOM 0 HB VAL A 74 4.989 3.696 -4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.252 4.526 -4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.294 2.956 -5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.657 4.451 -6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.413 6.119 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.742 6.110 -6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.116 5.709 -5.958 1.00 0.00 H new ATOM 1102 N PRO A 75 6.213 1.470 -8.064 1.00 0.00 N ATOM 1103 CA PRO A 75 6.725 0.099 -8.148 1.00 0.00 C ATOM 1104 C PRO A 75 8.059 -0.066 -7.428 1.00 0.00 C ATOM 1105 O PRO A 75 8.629 0.903 -6.927 1.00 0.00 O ATOM 1106 CB PRO A 75 6.898 -0.123 -9.652 1.00 0.00 C ATOM 1107 CG PRO A 75 7.086 1.242 -10.218 1.00 0.00 C ATOM 1108 CD PRO A 75 6.259 2.162 -9.363 1.00 0.00 C ATOM 0 HA PRO A 75 6.055 -0.617 -7.672 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.757 -0.760 -9.862 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.025 -0.613 -10.083 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.137 1.531 -10.199 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.763 1.281 -11.258 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.715 3.149 -9.277 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.261 2.307 -9.777 1.00 0.00 H new ATOM 1116 N ASN A 76 8.553 -1.299 -7.381 1.00 0.00 N ATOM 1117 CA ASN A 76 9.821 -1.590 -6.722 1.00 0.00 C ATOM 1118 C ASN A 76 9.738 -1.294 -5.227 1.00 0.00 C ATOM 1119 O ASN A 76 10.564 -0.562 -4.683 1.00 0.00 O ATOM 1120 CB ASN A 76 10.948 -0.771 -7.353 1.00 0.00 C ATOM 1121 CG ASN A 76 11.613 -1.496 -8.508 1.00 0.00 C ATOM 1122 OD1 ASN A 76 12.066 -2.632 -8.363 1.00 0.00 O ATOM 1123 ND2 ASN A 76 11.674 -0.841 -9.661 1.00 0.00 N ATOM 0 H ASN A 76 8.095 -2.113 -7.791 1.00 0.00 H new ATOM 0 HA ASN A 76 10.034 -2.651 -6.853 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.549 0.180 -7.706 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.695 -0.541 -6.594 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.110 -1.278 -10.473 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.285 0.099 -9.735 1.00 0.00 H new ATOM 1130 N ILE A 77 8.735 -1.869 -4.571 1.00 0.00 N ATOM 1131 CA ILE A 77 8.546 -1.667 -3.140 1.00 0.00 C ATOM 1132 C ILE A 77 8.792 -2.958 -2.366 1.00 0.00 C ATOM 1133 O ILE A 77 7.978 -3.881 -2.400 1.00 0.00 O ATOM 1134 CB ILE A 77 7.127 -1.157 -2.826 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.817 0.093 -3.652 1.00 0.00 C ATOM 1136 CG2 ILE A 77 6.986 -0.865 -1.340 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.473 0.710 -3.333 1.00 0.00 C ATOM 0 H ILE A 77 8.042 -2.477 -5.007 1.00 0.00 H new ATOM 0 HA ILE A 77 9.271 -0.915 -2.829 1.00 0.00 H new ATOM 0 HB ILE A 77 6.410 -1.933 -3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.598 0.834 -3.481 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.848 -0.164 -4.711 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.978 -0.505 -1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.170 -1.776 -0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.709 -0.104 -1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.320 1.592 -3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.684 -0.015 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.445 0.999 -2.282 1.00 0.00 H new ATOM 1149 N LYS A 78 9.920 -3.015 -1.666 1.00 0.00 N ATOM 1150 CA LYS A 78 10.274 -4.191 -0.879 1.00 0.00 C ATOM 1151 C LYS A 78 10.302 -3.862 0.610 1.00 0.00 C ATOM 1152 O LYS A 78 11.206 -4.283 1.330 1.00 0.00 O ATOM 1153 CB LYS A 78 11.637 -4.732 -1.318 1.00 0.00 C ATOM 1154 CG LYS A 78 11.664 -5.214 -2.759 1.00 0.00 C ATOM 1155 CD LYS A 78 11.299 -6.685 -2.862 1.00 0.00 C ATOM 1156 CE LYS A 78 11.201 -7.135 -4.312 1.00 0.00 C ATOM 1157 NZ LYS A 78 12.529 -7.125 -4.986 1.00 0.00 N ATOM 0 H LYS A 78 10.605 -2.260 -1.628 1.00 0.00 H new ATOM 0 HA LYS A 78 9.514 -4.954 -1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.387 -3.951 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.920 -5.556 -0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.968 -4.623 -3.354 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.657 -5.054 -3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.048 -7.284 -2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.347 -6.861 -2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.780 -8.140 -4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.516 -6.480 -4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.432 -7.502 -5.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.889 -6.150 -5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.195 -7.716 -4.449 1.00 0.00 H new ATOM 1171 N GLN A 79 9.306 -3.108 1.063 1.00 0.00 N ATOM 1172 CA GLN A 79 9.217 -2.723 2.467 1.00 0.00 C ATOM 1173 C GLN A 79 7.773 -2.772 2.955 1.00 0.00 C ATOM 1174 O GLN A 79 6.847 -2.953 2.165 1.00 0.00 O ATOM 1175 CB GLN A 79 9.789 -1.319 2.670 1.00 0.00 C ATOM 1176 CG GLN A 79 9.078 -0.249 1.858 1.00 0.00 C ATOM 1177 CD GLN A 79 9.910 1.007 1.690 1.00 0.00 C ATOM 1178 OE1 GLN A 79 10.990 1.131 2.269 1.00 0.00 O ATOM 1179 NE2 GLN A 79 9.412 1.946 0.895 1.00 0.00 N ATOM 0 H GLN A 79 8.550 -2.752 0.479 1.00 0.00 H new ATOM 0 HA GLN A 79 9.802 -3.434 3.050 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.729 -1.061 3.727 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.846 -1.324 2.403 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.830 -0.650 0.875 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.137 0.006 2.345 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.513 1.801 0.435 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.928 2.813 0.744 1.00 0.00 H new ATOM 1188 N ASN A 80 7.589 -2.611 4.261 1.00 0.00 N ATOM 1189 CA ASN A 80 6.257 -2.638 4.854 1.00 0.00 C ATOM 1190 C ASN A 80 5.731 -1.223 5.075 1.00 0.00 C ATOM 1191 O ASN A 80 4.673 -1.028 5.674 1.00 0.00 O ATOM 1192 CB ASN A 80 6.283 -3.397 6.182 1.00 0.00 C ATOM 1193 CG ASN A 80 6.860 -4.792 6.040 1.00 0.00 C ATOM 1194 OD1 ASN A 80 7.947 -4.973 5.492 1.00 0.00 O ATOM 1195 ND2 ASN A 80 6.132 -5.786 6.534 1.00 0.00 N ATOM 0 H ASN A 80 8.345 -2.460 4.929 1.00 0.00 H new ATOM 0 HA ASN A 80 5.589 -3.151 4.162 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.872 -2.835 6.907 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.270 -3.465 6.579 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.468 -6.747 6.467 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.236 -5.589 6.980 1.00 0.00 H new ATOM 1202 N HIS A 81 6.477 -0.237 4.585 1.00 0.00 N ATOM 1203 CA HIS A 81 6.085 1.161 4.727 1.00 0.00 C ATOM 1204 C HIS A 81 6.828 2.038 3.723 1.00 0.00 C ATOM 1205 O HIS A 81 8.058 2.062 3.696 1.00 0.00 O ATOM 1206 CB HIS A 81 6.362 1.648 6.150 1.00 0.00 C ATOM 1207 CG HIS A 81 7.606 1.070 6.749 1.00 0.00 C ATOM 1208 ND1 HIS A 81 7.596 0.006 7.626 1.00 0.00 N ATOM 1209 CD2 HIS A 81 8.906 1.413 6.593 1.00 0.00 C ATOM 1210 CE1 HIS A 81 8.835 -0.280 7.984 1.00 0.00 C ATOM 1211 NE2 HIS A 81 9.650 0.559 7.370 1.00 0.00 N ATOM 0 H HIS A 81 7.355 -0.380 4.087 1.00 0.00 H new ATOM 0 HA HIS A 81 5.016 1.235 4.527 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.443 2.735 6.144 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.512 1.395 6.784 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.288 2.210 5.973 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.131 -1.066 8.663 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.666 0.571 7.458 1.00 0.00 H new ATOM 1220 N TYR A 82 6.072 2.756 2.900 1.00 0.00 N ATOM 1221 CA TYR A 82 6.658 3.631 1.892 1.00 0.00 C ATOM 1222 C TYR A 82 6.218 5.077 2.104 1.00 0.00 C ATOM 1223 O TYR A 82 5.029 5.392 2.045 1.00 0.00 O ATOM 1224 CB TYR A 82 6.263 3.166 0.490 1.00 0.00 C ATOM 1225 CG TYR A 82 6.835 4.024 -0.616 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.412 5.335 -0.794 1.00 0.00 C ATOM 1227 CD2 TYR A 82 7.798 3.522 -1.484 1.00 0.00 C ATOM 1228 CE1 TYR A 82 6.932 6.122 -1.804 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.324 4.303 -2.495 1.00 0.00 C ATOM 1230 CZ TYR A 82 7.887 5.602 -2.651 1.00 0.00 C ATOM 1231 OH TYR A 82 8.408 6.382 -3.658 1.00 0.00 O ATOM 0 H TYR A 82 5.052 2.749 2.911 1.00 0.00 H new ATOM 0 HA TYR A 82 7.742 3.582 1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.596 2.138 0.350 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.176 3.162 0.410 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.664 5.746 -0.132 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.141 2.505 -1.366 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.592 7.139 -1.929 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.073 3.899 -3.160 1.00 0.00 H new ATOM 0 HH TYR A 82 9.070 5.865 -4.163 1.00 0.00 H new ATOM 1241 N THR A 83 7.187 5.953 2.350 1.00 0.00 N ATOM 1242 CA THR A 83 6.902 7.365 2.571 1.00 0.00 C ATOM 1243 C THR A 83 6.723 8.104 1.249 1.00 0.00 C ATOM 1244 O THR A 83 7.665 8.236 0.468 1.00 0.00 O ATOM 1245 CB THR A 83 8.023 8.046 3.378 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.400 7.220 4.486 1.00 0.00 O ATOM 1247 CG2 THR A 83 7.576 9.408 3.884 1.00 0.00 C ATOM 0 H THR A 83 8.176 5.709 2.401 1.00 0.00 H new ATOM 0 HA THR A 83 5.974 7.414 3.140 1.00 0.00 H new ATOM 0 HB THR A 83 8.881 8.185 2.720 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.768 7.354 5.223 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.385 9.869 4.451 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.318 10.044 3.037 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.704 9.289 4.527 1.00 0.00 H new ATOM 1255 N VAL A 84 5.508 8.584 1.005 1.00 0.00 N ATOM 1256 CA VAL A 84 5.206 9.311 -0.222 1.00 0.00 C ATOM 1257 C VAL A 84 5.542 10.792 -0.081 1.00 0.00 C ATOM 1258 O VAL A 84 5.164 11.434 0.900 1.00 0.00 O ATOM 1259 CB VAL A 84 3.722 9.168 -0.609 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.436 9.900 -1.912 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.340 7.699 -0.719 1.00 0.00 C ATOM 0 H VAL A 84 4.717 8.483 1.641 1.00 0.00 H new ATOM 0 HA VAL A 84 5.823 8.874 -1.008 1.00 0.00 H new ATOM 0 HB VAL A 84 3.115 9.621 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.383 9.787 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.670 10.958 -1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.051 9.479 -2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.288 7.616 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.953 7.220 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.505 7.207 0.240 1.00 0.00 H new ATOM 1271 N HIS A 85 6.254 11.328 -1.067 1.00 0.00 N ATOM 1272 CA HIS A 85 6.640 12.735 -1.053 1.00 0.00 C ATOM 1273 C HIS A 85 5.955 13.497 -2.183 1.00 0.00 C ATOM 1274 O HIS A 85 5.629 12.926 -3.222 1.00 0.00 O ATOM 1275 CB HIS A 85 8.158 12.870 -1.178 1.00 0.00 C ATOM 1276 CG HIS A 85 8.907 12.327 0.000 1.00 0.00 C ATOM 1277 ND1 HIS A 85 10.133 12.813 0.402 1.00 0.00 N ATOM 1278 CD2 HIS A 85 8.596 11.334 0.866 1.00 0.00 C ATOM 1279 CE1 HIS A 85 10.544 12.142 1.463 1.00 0.00 C ATOM 1280 NE2 HIS A 85 9.629 11.239 1.765 1.00 0.00 N ATOM 0 H HIS A 85 6.575 10.810 -1.885 1.00 0.00 H new ATOM 0 HA HIS A 85 6.321 13.165 -0.103 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.488 12.351 -2.078 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.412 13.922 -1.306 1.00 0.00 H new ATOM 0 HD2 HIS A 85 7.701 10.729 0.852 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.471 12.304 1.993 1.00 0.00 H new ATOM 0 HE2 HIS A 85 9.681 10.578 2.540 1.00 0.00 H new ATOM 1289 N GLY A 86 5.739 14.792 -1.970 1.00 0.00 N ATOM 1290 CA GLY A 86 5.092 15.612 -2.979 1.00 0.00 C ATOM 1291 C GLY A 86 3.587 15.660 -2.809 1.00 0.00 C ATOM 1292 O GLY A 86 2.841 15.575 -3.786 1.00 0.00 O ATOM 0 H GLY A 86 6.000 15.288 -1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.492 16.625 -2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.331 15.221 -3.968 1.00 0.00 H new ATOM 1296 N LEU A 87 3.138 15.797 -1.566 1.00 0.00 N ATOM 1297 CA LEU A 87 1.710 15.855 -1.271 1.00 0.00 C ATOM 1298 C LEU A 87 1.295 17.267 -0.869 1.00 0.00 C ATOM 1299 O LEU A 87 2.136 18.153 -0.723 1.00 0.00 O ATOM 1300 CB LEU A 87 1.360 14.871 -0.154 1.00 0.00 C ATOM 1301 CG LEU A 87 1.640 13.396 -0.446 1.00 0.00 C ATOM 1302 CD1 LEU A 87 1.519 12.568 0.824 1.00 0.00 C ATOM 1303 CD2 LEU A 87 0.693 12.876 -1.517 1.00 0.00 C ATOM 0 H LEU A 87 3.741 15.870 -0.747 1.00 0.00 H new ATOM 0 HA LEU A 87 1.165 15.579 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.915 15.155 0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.301 14.980 0.080 1.00 0.00 H new ATOM 0 HG LEU A 87 2.661 13.306 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.722 11.521 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.238 12.925 1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.510 12.663 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.906 11.825 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.336 12.980 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.830 13.450 -2.433 1.00 0.00 H new ATOM 1315 N GLN A 88 -0.007 17.467 -0.691 1.00 0.00 N ATOM 1316 CA GLN A 88 -0.534 18.770 -0.304 1.00 0.00 C ATOM 1317 C GLN A 88 -0.991 18.763 1.150 1.00 0.00 C ATOM 1318 O GLN A 88 -1.482 17.752 1.652 1.00 0.00 O ATOM 1319 CB GLN A 88 -1.697 19.165 -1.216 1.00 0.00 C ATOM 1320 CG GLN A 88 -1.292 19.367 -2.667 1.00 0.00 C ATOM 1321 CD GLN A 88 -2.473 19.312 -3.616 1.00 0.00 C ATOM 1322 OE1 GLN A 88 -2.837 20.315 -4.230 1.00 0.00 O ATOM 1323 NE2 GLN A 88 -3.079 18.137 -3.740 1.00 0.00 N ATOM 0 H GLN A 88 -0.716 16.743 -0.809 1.00 0.00 H new ATOM 0 HA GLN A 88 0.266 19.503 -0.410 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.465 18.393 -1.166 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.145 20.085 -0.841 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.793 20.330 -2.770 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.569 18.601 -2.948 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.743 17.332 -3.212 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.880 18.040 -4.364 1.00 0.00 H new ATOM 1332 N SER A 89 -0.827 19.898 1.823 1.00 0.00 N ATOM 1333 CA SER A 89 -1.219 20.021 3.222 1.00 0.00 C ATOM 1334 C SER A 89 -2.736 20.105 3.355 1.00 0.00 C ATOM 1335 O SER A 89 -3.434 20.473 2.411 1.00 0.00 O ATOM 1336 CB SER A 89 -0.571 21.257 3.849 1.00 0.00 C ATOM 1337 OG SER A 89 -1.139 22.448 3.331 1.00 0.00 O ATOM 0 H SER A 89 -0.425 20.745 1.422 1.00 0.00 H new ATOM 0 HA SER A 89 -0.874 19.132 3.750 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.699 21.230 4.931 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.502 21.247 3.655 1.00 0.00 H new ATOM 0 HG SER A 89 -0.710 23.224 3.748 1.00 0.00 H new ATOM 1343 N GLY A 90 -3.241 19.761 4.536 1.00 0.00 N ATOM 1344 CA GLY A 90 -4.672 19.804 4.773 1.00 0.00 C ATOM 1345 C GLY A 90 -5.470 19.281 3.595 1.00 0.00 C ATOM 1346 O GLY A 90 -6.506 19.843 3.238 1.00 0.00 O ATOM 0 H GLY A 90 -2.684 19.453 5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.908 19.214 5.659 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.972 20.831 4.984 1.00 0.00 H new ATOM 1350 N THR A 91 -4.988 18.201 2.988 1.00 0.00 N ATOM 1351 CA THR A 91 -5.661 17.604 1.842 1.00 0.00 C ATOM 1352 C THR A 91 -5.830 16.100 2.026 1.00 0.00 C ATOM 1353 O THR A 91 -4.945 15.426 2.553 1.00 0.00 O ATOM 1354 CB THR A 91 -4.887 17.866 0.536 1.00 0.00 C ATOM 1355 OG1 THR A 91 -4.539 19.251 0.443 1.00 0.00 O ATOM 1356 CG2 THR A 91 -5.716 17.463 -0.674 1.00 0.00 C ATOM 0 H THR A 91 -4.133 17.722 3.272 1.00 0.00 H new ATOM 0 HA THR A 91 -6.643 18.072 1.773 1.00 0.00 H new ATOM 0 HB THR A 91 -3.978 17.264 0.550 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.855 19.462 1.112 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.149 17.657 -1.584 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.954 16.401 -0.614 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.640 18.042 -0.691 1.00 0.00 H new ATOM 1364 N ARG A 92 -6.972 15.580 1.589 1.00 0.00 N ATOM 1365 CA ARG A 92 -7.257 14.155 1.707 1.00 0.00 C ATOM 1366 C ARG A 92 -6.407 13.348 0.729 1.00 0.00 C ATOM 1367 O ARG A 92 -6.068 13.825 -0.354 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.741 13.887 1.450 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.645 14.322 2.592 1.00 0.00 C ATOM 1370 CD ARG A 92 -11.038 13.728 2.457 1.00 0.00 C ATOM 1371 NE ARG A 92 -11.978 14.314 3.410 1.00 0.00 N ATOM 1372 CZ ARG A 92 -13.292 14.346 3.221 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -13.820 13.827 2.121 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -14.082 14.896 4.134 1.00 0.00 N ATOM 0 H ARG A 92 -7.715 16.124 1.150 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.009 13.843 2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.043 14.406 0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.883 12.821 1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.207 14.014 3.542 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.712 15.410 2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.403 13.888 1.443 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.989 12.650 2.612 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.604 14.721 4.267 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.216 13.402 1.417 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.830 13.853 1.979 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.680 15.295 4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.091 14.920 3.987 1.00 0.00 H new ATOM 1388 N TYR A 93 -6.067 12.125 1.119 1.00 0.00 N ATOM 1389 CA TYR A 93 -5.255 11.253 0.279 1.00 0.00 C ATOM 1390 C TYR A 93 -5.568 9.785 0.554 1.00 0.00 C ATOM 1391 O TYR A 93 -5.351 9.289 1.660 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.768 11.521 0.517 1.00 0.00 C ATOM 1393 CG TYR A 93 -3.215 12.650 -0.324 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -2.752 12.420 -1.613 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -3.156 13.947 0.172 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -2.245 13.448 -2.384 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -2.652 14.981 -0.592 1.00 0.00 C ATOM 1398 CZ TYR A 93 -2.197 14.727 -1.870 1.00 0.00 C ATOM 1399 OH TYR A 93 -1.694 15.754 -2.635 1.00 0.00 O ATOM 0 H TYR A 93 -6.341 11.715 2.012 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.495 11.468 -0.762 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.613 11.754 1.570 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.205 10.612 0.306 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.789 11.420 -2.020 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.510 14.150 1.172 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.888 13.251 -3.384 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.614 15.983 -0.192 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.203 15.383 -3.398 1.00 0.00 H new ATOM 1409 N ILE A 94 -6.079 9.096 -0.461 1.00 0.00 N ATOM 1410 CA ILE A 94 -6.420 7.685 -0.330 1.00 0.00 C ATOM 1411 C ILE A 94 -5.236 6.796 -0.696 1.00 0.00 C ATOM 1412 O ILE A 94 -4.502 7.081 -1.642 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.621 7.312 -1.219 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -8.904 7.942 -0.672 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -7.764 5.800 -1.309 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -10.136 7.605 -1.482 1.00 0.00 C ATOM 0 H ILE A 94 -6.266 9.492 -1.382 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.685 7.520 0.714 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.446 7.701 -2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.053 7.610 0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.783 9.025 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.617 5.552 -1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.858 5.374 -1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.920 5.389 -0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.007 8.085 -1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.008 7.962 -2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.282 6.525 -1.490 1.00 0.00 H new ATOM 1428 N PHE A 95 -5.057 5.718 0.059 1.00 0.00 N ATOM 1429 CA PHE A 95 -3.963 4.786 -0.186 1.00 0.00 C ATOM 1430 C PHE A 95 -4.488 3.365 -0.365 1.00 0.00 C ATOM 1431 O PHE A 95 -5.329 2.901 0.405 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.960 4.829 0.969 1.00 0.00 C ATOM 1433 CG PHE A 95 -2.217 6.131 1.070 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -2.833 7.256 1.593 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -0.904 6.229 0.641 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -2.153 8.456 1.688 1.00 0.00 C ATOM 1437 CE2 PHE A 95 -0.218 7.426 0.733 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.844 8.541 1.256 1.00 0.00 C ATOM 0 H PHE A 95 -5.656 5.468 0.846 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.462 5.088 -1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.488 4.648 1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.242 4.019 0.846 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.857 7.195 1.931 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.410 5.361 0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.645 9.325 2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.806 7.489 0.396 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.311 9.477 1.327 1.00 0.00 H new ATOM 1448 N ILE A 96 -3.986 2.679 -1.387 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.404 1.311 -1.667 1.00 0.00 C ATOM 1450 C ILE A 96 -3.212 0.439 -2.047 1.00 0.00 C ATOM 1451 O ILE A 96 -2.654 0.571 -3.136 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.444 1.262 -2.802 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.769 1.866 -2.335 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -5.645 -0.171 -3.273 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.667 2.305 -3.471 1.00 0.00 C ATOM 0 H ILE A 96 -3.290 3.048 -2.034 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.856 0.926 -0.753 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.074 1.851 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.299 1.133 -1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.562 2.723 -1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.383 -0.190 -4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.699 -0.569 -3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.997 -0.781 -2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.588 2.723 -3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.156 3.061 -4.067 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.904 1.447 -4.100 1.00 0.00 H new ATOM 1467 N VAL A 97 -2.826 -0.454 -1.141 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.702 -1.351 -1.381 1.00 0.00 C ATOM 1469 C VAL A 97 -2.135 -2.570 -2.187 1.00 0.00 C ATOM 1470 O VAL A 97 -3.077 -3.271 -1.817 1.00 0.00 O ATOM 1471 CB VAL A 97 -1.067 -1.822 -0.059 1.00 0.00 C ATOM 1472 CG1 VAL A 97 -0.061 -2.933 -0.316 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.411 -0.654 0.662 1.00 0.00 C ATOM 0 H VAL A 97 -3.276 -0.575 -0.234 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.962 -0.787 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.855 -2.219 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.377 -3.253 0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.564 -3.778 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.726 -2.566 -0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.033 -1.005 1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.366 -0.226 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.161 0.106 0.881 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.439 -2.820 -3.292 1.00 0.00 N ATOM 1484 CA LYS A 98 -1.749 -3.956 -4.151 1.00 0.00 C ATOM 1485 C LYS A 98 -0.596 -4.955 -4.169 1.00 0.00 C ATOM 1486 O LYS A 98 0.459 -4.688 -4.743 1.00 0.00 O ATOM 1487 CB LYS A 98 -2.047 -3.479 -5.574 1.00 0.00 C ATOM 1488 CG LYS A 98 -2.348 -4.609 -6.544 1.00 0.00 C ATOM 1489 CD LYS A 98 -2.957 -4.088 -7.835 1.00 0.00 C ATOM 1490 CE LYS A 98 -1.888 -3.578 -8.789 1.00 0.00 C ATOM 1491 NZ LYS A 98 -2.453 -2.655 -9.812 1.00 0.00 N ATOM 0 H LYS A 98 -0.656 -2.250 -3.613 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.631 -4.454 -3.749 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.897 -2.797 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.193 -2.911 -5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.430 -5.153 -6.767 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.033 -5.317 -6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.527 -4.883 -8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.658 -3.285 -7.610 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.112 -3.062 -8.223 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.411 -4.423 -9.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.693 -2.329 -10.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.175 -3.154 -10.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.886 -1.836 -9.339 1.00 0.00 H new ATOM 1505 N ALA A 99 -0.806 -6.105 -3.538 1.00 0.00 N ATOM 1506 CA ALA A 99 0.214 -7.145 -3.485 1.00 0.00 C ATOM 1507 C ALA A 99 0.233 -7.962 -4.772 1.00 0.00 C ATOM 1508 O ALA A 99 -0.800 -8.465 -5.214 1.00 0.00 O ATOM 1509 CB ALA A 99 -0.018 -8.051 -2.285 1.00 0.00 C ATOM 0 H ALA A 99 -1.674 -6.340 -3.056 1.00 0.00 H new ATOM 0 HA ALA A 99 1.185 -6.662 -3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.751 -8.823 -2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.028 -7.461 -1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.999 -8.519 -2.367 1.00 0.00 H new ATOM 1515 N ILE A 100 1.413 -8.089 -5.369 1.00 0.00 N ATOM 1516 CA ILE A 100 1.565 -8.846 -6.606 1.00 0.00 C ATOM 1517 C ILE A 100 2.507 -10.030 -6.414 1.00 0.00 C ATOM 1518 O ILE A 100 3.587 -9.891 -5.841 1.00 0.00 O ATOM 1519 CB ILE A 100 2.100 -7.959 -7.746 1.00 0.00 C ATOM 1520 CG1 ILE A 100 1.148 -6.788 -7.999 1.00 0.00 C ATOM 1521 CG2 ILE A 100 2.286 -8.781 -9.013 1.00 0.00 C ATOM 1522 CD1 ILE A 100 1.465 -5.563 -7.170 1.00 0.00 C ATOM 0 H ILE A 100 2.277 -7.678 -5.017 1.00 0.00 H new ATOM 0 HA ILE A 100 0.575 -9.213 -6.875 1.00 0.00 H new ATOM 0 HB ILE A 100 3.069 -7.558 -7.451 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.185 -6.522 -9.055 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.128 -7.107 -7.786 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.664 -8.141 -9.810 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.998 -9.585 -8.824 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.329 -9.207 -9.314 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.751 -4.773 -7.401 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.400 -5.813 -6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.473 -5.219 -7.400 1.00 0.00 H new ATOM 1534 N ASN A 101 2.090 -11.195 -6.898 1.00 0.00 N ATOM 1535 CA ASN A 101 2.897 -12.404 -6.781 1.00 0.00 C ATOM 1536 C ASN A 101 2.852 -13.216 -8.072 1.00 0.00 C ATOM 1537 O ASN A 101 2.270 -12.784 -9.067 1.00 0.00 O ATOM 1538 CB ASN A 101 2.406 -13.259 -5.611 1.00 0.00 C ATOM 1539 CG ASN A 101 0.957 -13.678 -5.769 1.00 0.00 C ATOM 1540 OD1 ASN A 101 0.229 -13.134 -6.600 1.00 0.00 O ATOM 1541 ND2 ASN A 101 0.532 -14.651 -4.971 1.00 0.00 N ATOM 0 H ASN A 101 1.198 -11.328 -7.375 1.00 0.00 H new ATOM 0 HA ASN A 101 3.929 -12.105 -6.596 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.031 -14.148 -5.527 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.520 -12.700 -4.683 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.433 -14.976 -5.032 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.171 -15.073 -4.297 1.00 0.00 H new ATOM 1548 N GLN A 102 3.468 -14.393 -8.047 1.00 0.00 N ATOM 1549 CA GLN A 102 3.498 -15.265 -9.215 1.00 0.00 C ATOM 1550 C GLN A 102 2.085 -15.622 -9.664 1.00 0.00 C ATOM 1551 O GLN A 102 1.817 -15.753 -10.858 1.00 0.00 O ATOM 1552 CB GLN A 102 4.285 -16.539 -8.907 1.00 0.00 C ATOM 1553 CG GLN A 102 4.008 -17.106 -7.524 1.00 0.00 C ATOM 1554 CD GLN A 102 4.536 -18.517 -7.355 1.00 0.00 C ATOM 1555 OE1 GLN A 102 5.491 -18.750 -6.614 1.00 0.00 O ATOM 1556 NE2 GLN A 102 3.915 -19.468 -8.043 1.00 0.00 N ATOM 0 H GLN A 102 3.953 -14.765 -7.231 1.00 0.00 H new ATOM 0 HA GLN A 102 3.992 -14.728 -10.025 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.045 -17.294 -9.655 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.351 -16.329 -8.998 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.462 -16.460 -6.773 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.933 -17.100 -7.342 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.127 -19.230 -8.646 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.226 -20.437 -7.969 1.00 0.00 H new ATOM 1565 N ALA A 103 1.184 -15.778 -8.699 1.00 0.00 N ATOM 1566 CA ALA A 103 -0.202 -16.118 -8.995 1.00 0.00 C ATOM 1567 C ALA A 103 -0.924 -14.950 -9.659 1.00 0.00 C ATOM 1568 O ALA A 103 -1.420 -15.070 -10.778 1.00 0.00 O ATOM 1569 CB ALA A 103 -0.926 -16.536 -7.724 1.00 0.00 C ATOM 0 H ALA A 103 1.390 -15.674 -7.705 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.204 -16.956 -9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.960 -16.787 -7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.431 -17.406 -7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.907 -15.715 -7.007 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.979 -13.821 -8.960 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.644 -12.648 -9.497 1.00 0.00 C ATOM 1577 C GLY A 104 -1.493 -11.434 -8.601 1.00 0.00 C ATOM 1578 O GLY A 104 -0.412 -11.177 -8.070 1.00 0.00 O ATOM 0 H GLY A 104 -0.575 -13.697 -8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.236 -12.422 -10.482 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.703 -12.865 -9.633 1.00 0.00 H new ATOM 1582 N SER A 105 -2.578 -10.685 -8.434 1.00 0.00 N ATOM 1583 CA SER A 105 -2.560 -9.489 -7.601 1.00 0.00 C ATOM 1584 C SER A 105 -3.887 -9.317 -6.868 1.00 0.00 C ATOM 1585 O SER A 105 -4.924 -9.802 -7.319 1.00 0.00 O ATOM 1586 CB SER A 105 -2.270 -8.252 -8.453 1.00 0.00 C ATOM 1587 OG SER A 105 -2.116 -7.099 -7.644 1.00 0.00 O ATOM 0 H SER A 105 -3.481 -10.885 -8.865 1.00 0.00 H new ATOM 0 HA SER A 105 -1.769 -9.604 -6.860 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.364 -8.413 -9.037 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.083 -8.096 -9.162 1.00 0.00 H new ATOM 0 HG SER A 105 -1.712 -7.352 -6.788 1.00 0.00 H new ATOM 1593 N ARG A 106 -3.845 -8.622 -5.736 1.00 0.00 N ATOM 1594 CA ARG A 106 -5.043 -8.386 -4.940 1.00 0.00 C ATOM 1595 C ARG A 106 -5.063 -6.960 -4.396 1.00 0.00 C ATOM 1596 O ARG A 106 -4.237 -6.592 -3.562 1.00 0.00 O ATOM 1597 CB ARG A 106 -5.118 -9.385 -3.783 1.00 0.00 C ATOM 1598 CG ARG A 106 -6.384 -9.261 -2.953 1.00 0.00 C ATOM 1599 CD ARG A 106 -7.565 -9.935 -3.634 1.00 0.00 C ATOM 1600 NE ARG A 106 -8.725 -10.030 -2.751 1.00 0.00 N ATOM 1601 CZ ARG A 106 -9.833 -10.694 -3.063 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -9.930 -11.318 -4.228 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -10.846 -10.734 -2.207 1.00 0.00 N ATOM 0 H ARG A 106 -2.994 -8.213 -5.350 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.910 -8.522 -5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.054 -10.397 -4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.253 -9.243 -3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.223 -9.710 -1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.610 -8.208 -2.788 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.836 -9.375 -4.529 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.274 -10.934 -3.959 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.682 -9.561 -1.846 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.153 -11.289 -4.888 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.782 -11.827 -4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.774 -10.255 -1.309 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.696 -11.244 -2.447 1.00 0.00 H new ATOM 1617 N ASN A 107 -6.011 -6.163 -4.877 1.00 0.00 N ATOM 1618 CA ASN A 107 -6.138 -4.777 -4.440 1.00 0.00 C ATOM 1619 C ASN A 107 -6.863 -4.693 -3.100 1.00 0.00 C ATOM 1620 O ASN A 107 -7.966 -5.217 -2.946 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.887 -3.955 -5.491 1.00 0.00 C ATOM 1622 CG ASN A 107 -6.241 -4.040 -6.860 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -5.862 -5.120 -7.314 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -6.111 -2.898 -7.525 1.00 0.00 N ATOM 0 H ASN A 107 -6.702 -6.452 -5.569 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.135 -4.368 -4.316 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.917 -4.306 -5.556 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.924 -2.913 -5.174 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -5.683 -2.893 -8.451 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.439 -2.026 -7.110 1.00 0.00 H new ATOM 1631 N SER A 108 -6.236 -4.029 -2.135 1.00 0.00 N ATOM 1632 CA SER A 108 -6.819 -3.878 -0.807 1.00 0.00 C ATOM 1633 C SER A 108 -7.830 -2.736 -0.784 1.00 0.00 C ATOM 1634 O SER A 108 -8.026 -2.047 -1.785 1.00 0.00 O ATOM 1635 CB SER A 108 -5.723 -3.625 0.230 1.00 0.00 C ATOM 1636 OG SER A 108 -5.152 -2.338 0.064 1.00 0.00 O ATOM 0 H SER A 108 -5.324 -3.587 -2.248 1.00 0.00 H new ATOM 0 HA SER A 108 -7.337 -4.804 -0.558 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.139 -3.715 1.233 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.947 -4.385 0.137 1.00 0.00 H new ATOM 0 HG SER A 108 -4.405 -2.391 -0.568 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.470 -2.542 0.365 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.461 -1.484 0.518 1.00 0.00 C ATOM 1644 C GLU A 109 -8.789 -0.117 0.604 1.00 0.00 C ATOM 1645 O GLU A 109 -7.668 0.022 1.093 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.310 -1.727 1.768 1.00 0.00 C ATOM 1647 CG GLU A 109 -11.263 -2.903 1.638 1.00 0.00 C ATOM 1648 CD GLU A 109 -12.324 -2.917 2.721 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -11.964 -2.747 3.905 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -13.513 -3.098 2.386 1.00 0.00 O ATOM 0 H GLU A 109 -8.320 -3.104 1.203 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.107 -1.497 -0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.649 -1.898 2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.885 -0.827 1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.746 -2.868 0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.695 -3.832 1.679 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.490 0.918 0.117 1.00 0.00 N ATOM 1658 CA PRO A 110 -8.981 2.293 0.126 1.00 0.00 C ATOM 1659 C PRO A 110 -8.913 2.876 1.534 1.00 0.00 C ATOM 1660 O PRO A 110 -9.934 3.024 2.206 1.00 0.00 O ATOM 1661 CB PRO A 110 -10.005 3.055 -0.719 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.260 2.262 -0.601 1.00 0.00 C ATOM 1663 CD PRO A 110 -10.832 0.825 -0.481 1.00 0.00 C ATOM 0 HA PRO A 110 -7.962 2.354 -0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.143 4.072 -0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.682 3.133 -1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.837 2.572 0.271 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.897 2.408 -1.473 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.514 0.254 0.149 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.806 0.331 -1.452 1.00 0.00 H new ATOM 1671 N THR A 111 -7.703 3.206 1.975 1.00 0.00 N ATOM 1672 CA THR A 111 -7.501 3.772 3.302 1.00 0.00 C ATOM 1673 C THR A 111 -7.434 5.294 3.247 1.00 0.00 C ATOM 1674 O THR A 111 -6.470 5.863 2.734 1.00 0.00 O ATOM 1675 CB THR A 111 -6.212 3.235 3.952 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.331 1.828 4.187 1.00 0.00 O ATOM 1677 CG2 THR A 111 -5.929 3.951 5.264 1.00 0.00 C ATOM 0 H THR A 111 -6.848 3.091 1.431 1.00 0.00 H new ATOM 0 HA THR A 111 -8.356 3.471 3.907 1.00 0.00 H new ATOM 0 HB THR A 111 -5.383 3.420 3.269 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.236 1.647 5.145 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.014 3.555 5.705 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.810 5.018 5.078 1.00 0.00 H new ATOM 0 HG23 THR A 111 -6.760 3.793 5.951 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.462 5.947 3.777 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.518 7.404 3.787 1.00 0.00 C ATOM 1687 C ARG A 112 -7.535 7.979 4.802 1.00 0.00 C ATOM 1688 O ARG A 112 -7.508 7.563 5.961 1.00 0.00 O ATOM 1689 CB ARG A 112 -9.937 7.878 4.110 1.00 0.00 C ATOM 1690 CG ARG A 112 -10.876 7.847 2.915 1.00 0.00 C ATOM 1691 CD ARG A 112 -10.852 9.163 2.153 1.00 0.00 C ATOM 1692 NE ARG A 112 -11.677 10.183 2.796 1.00 0.00 N ATOM 1693 CZ ARG A 112 -13.004 10.192 2.750 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -13.654 9.240 2.093 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -13.684 11.153 3.360 1.00 0.00 N ATOM 0 H ARG A 112 -9.268 5.491 4.205 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.239 7.761 2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.349 7.252 4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.892 8.895 4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.591 7.034 2.248 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.891 7.640 3.254 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.825 9.521 2.080 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.206 8.999 1.135 1.00 0.00 H new ATOM 0 HE ARG A 112 -11.208 10.930 3.309 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -13.134 8.499 1.622 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.673 9.249 2.059 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -13.188 11.887 3.866 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -14.703 11.158 3.324 1.00 0.00 H new ATOM 1709 N LEU A 113 -6.729 8.937 4.359 1.00 0.00 N ATOM 1710 CA LEU A 113 -5.743 9.570 5.228 1.00 0.00 C ATOM 1711 C LEU A 113 -5.627 11.061 4.926 1.00 0.00 C ATOM 1712 O LEU A 113 -5.702 11.479 3.770 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.379 8.897 5.061 1.00 0.00 C ATOM 1714 CG LEU A 113 -4.340 7.389 5.310 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -2.963 6.830 4.990 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.724 7.076 6.749 1.00 0.00 C ATOM 0 H LEU A 113 -6.739 9.293 3.403 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.076 9.452 6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.024 9.087 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.674 9.376 5.741 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.065 6.912 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.955 5.756 5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.727 7.021 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.218 7.312 5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.691 5.998 6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.024 7.565 7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.733 7.441 6.944 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.442 11.859 5.972 1.00 0.00 N ATOM 1729 CA LYS A 114 -5.312 13.303 5.820 1.00 0.00 C ATOM 1730 C LYS A 114 -3.983 13.793 6.386 1.00 0.00 C ATOM 1731 O LYS A 114 -3.456 13.223 7.343 1.00 0.00 O ATOM 1732 CB LYS A 114 -6.471 14.017 6.520 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.759 14.020 5.715 1.00 0.00 C ATOM 1734 CD LYS A 114 -8.712 15.104 6.191 1.00 0.00 C ATOM 1735 CE LYS A 114 -8.455 16.423 5.478 1.00 0.00 C ATOM 1736 NZ LYS A 114 -9.625 17.340 5.572 1.00 0.00 N ATOM 0 H LYS A 114 -5.379 11.529 6.935 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.340 13.535 4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.655 13.537 7.481 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.180 15.047 6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.530 14.173 4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.243 13.047 5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.741 14.789 6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.600 15.242 7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.579 16.906 5.911 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.227 16.231 4.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.411 18.228 5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.455 16.890 5.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.827 17.544 6.572 1.00 0.00 H new ATOM 1750 N THR A 115 -3.446 14.853 5.791 1.00 0.00 N ATOM 1751 CA THR A 115 -2.179 15.419 6.236 1.00 0.00 C ATOM 1752 C THR A 115 -2.400 16.509 7.278 1.00 0.00 C ATOM 1753 O THR A 115 -3.529 16.938 7.512 1.00 0.00 O ATOM 1754 CB THR A 115 -1.380 16.006 5.057 1.00 0.00 C ATOM 1755 OG1 THR A 115 -2.230 16.832 4.253 1.00 0.00 O ATOM 1756 CG2 THR A 115 -0.785 14.897 4.202 1.00 0.00 C ATOM 0 H THR A 115 -3.869 15.337 4.999 1.00 0.00 H new ATOM 0 HA THR A 115 -1.608 14.604 6.681 1.00 0.00 H new ATOM 0 HB THR A 115 -0.566 16.608 5.461 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.790 17.019 3.398 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.225 15.335 3.376 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.117 14.288 4.810 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.586 14.273 3.807 1.00 0.00 H new ATOM 1764 N ASN A 116 -1.314 16.955 7.901 1.00 0.00 N ATOM 1765 CA ASN A 116 -1.390 17.997 8.919 1.00 0.00 C ATOM 1766 C ASN A 116 -1.334 19.383 8.284 1.00 0.00 C ATOM 1767 O ASN A 116 -1.072 19.519 7.089 1.00 0.00 O ATOM 1768 CB ASN A 116 -0.249 17.839 9.927 1.00 0.00 C ATOM 1769 CG ASN A 116 -0.403 16.597 10.784 1.00 0.00 C ATOM 1770 OD1 ASN A 116 -1.440 16.388 11.413 1.00 0.00 O ATOM 1771 ND2 ASN A 116 0.632 15.766 10.811 1.00 0.00 N ATOM 0 H ASN A 116 -0.371 16.611 7.719 1.00 0.00 H new ATOM 0 HA ASN A 116 -2.342 17.893 9.439 1.00 0.00 H new ATOM 0 HB2 ASN A 116 0.700 17.793 9.393 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -0.211 18.718 10.570 1.00 0.00 H new ATOM 0 HD21 ASN A 116 0.587 14.914 11.369 1.00 0.00 H new ATOM 0 HD22 ASN A 116 1.472 15.980 10.273 1.00 0.00 H new