USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 582 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= -0.621 USER MOD Set 2.1: A 35 LYS NZ :NH3+ -164:sc= 0.636 (180deg=-0.311) USER MOD Set 2.2: A 38 THR OG1 : rot -83:sc= 0.144 USER MOD Single : A 15 ASN : amide:sc= -0.0791 X(o=-0.079,f=0.35) USER MOD Single : A 17 HIS : no HE2:sc= -0.545 X(o=-0.55,f=-0.67) USER MOD Single : A 19 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.1) USER MOD Single : A 25 GLN : amide:sc= -0.694 K(o=-0.69,f=-1.3) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.242 K(o=-0.24,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.56) USER MOD Single : A 41 SER OG : rot 180:sc= -0.745 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 155:sc= -0.235 (180deg=-1.23) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.33 USER MOD Single : A 51 GLN : amide:sc= -1.44 K(o=-1.4,f=-0.63) USER MOD Single : A 54 SER OG : rot 160:sc= -0.932 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 65 GLN : amide:sc= -0.0934 K(o=-0.093,f=-1.5!) USER MOD Single : A 68 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.7!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0318 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 78 MET CE :methyl 150:sc= -2.53! (180deg=-3.87!) USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 15 8.300 13.249 -12.627 1.00 0.00 N ATOM 217 CA ASN A 15 7.076 12.457 -12.653 1.00 0.00 C ATOM 218 C ASN A 15 6.395 12.462 -11.288 1.00 0.00 C ATOM 219 O ASN A 15 6.850 13.129 -10.359 1.00 0.00 O ATOM 220 CB ASN A 15 7.384 11.019 -13.077 1.00 0.00 C ATOM 221 CG ASN A 15 7.828 10.925 -14.524 1.00 0.00 C ATOM 222 OD1 ASN A 15 8.235 11.919 -15.126 1.00 0.00 O ATOM 223 ND2 ASN A 15 7.752 9.726 -15.090 1.00 0.00 N ATOM 0 HA ASN A 15 6.398 12.906 -13.379 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.164 10.613 -12.433 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.497 10.402 -12.931 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.037 9.602 -16.061 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.408 8.930 -14.553 1.00 0.00 H new ATOM 230 N ASP A 16 5.304 11.713 -11.175 1.00 0.00 N ATOM 231 CA ASP A 16 4.561 11.629 -9.923 1.00 0.00 C ATOM 232 C ASP A 16 5.299 10.760 -8.910 1.00 0.00 C ATOM 233 O ASP A 16 6.144 9.942 -9.276 1.00 0.00 O ATOM 234 CB ASP A 16 3.161 11.065 -10.173 1.00 0.00 C ATOM 235 CG ASP A 16 2.252 12.060 -10.867 1.00 0.00 C ATOM 236 OD1 ASP A 16 1.633 12.888 -10.166 1.00 0.00 O ATOM 237 OD2 ASP A 16 2.160 12.012 -12.111 1.00 0.00 O ATOM 0 H ASP A 16 4.914 11.155 -11.935 1.00 0.00 H new ATOM 0 HA ASP A 16 4.472 12.635 -9.514 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.239 10.163 -10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.715 10.772 -9.222 1.00 0.00 H new ATOM 242 N HIS A 17 4.976 10.943 -7.633 1.00 0.00 N ATOM 243 CA HIS A 17 5.609 10.175 -6.567 1.00 0.00 C ATOM 244 C HIS A 17 4.731 10.153 -5.319 1.00 0.00 C ATOM 245 O HIS A 17 4.732 11.100 -4.531 1.00 0.00 O ATOM 246 CB HIS A 17 6.979 10.764 -6.230 1.00 0.00 C ATOM 247 CG HIS A 17 6.965 12.252 -6.055 1.00 0.00 C ATOM 248 ND1 HIS A 17 7.052 13.135 -7.111 1.00 0.00 N ATOM 249 CD2 HIS A 17 6.871 13.011 -4.939 1.00 0.00 C ATOM 250 CE1 HIS A 17 7.015 14.373 -6.651 1.00 0.00 C ATOM 251 NE2 HIS A 17 6.905 14.325 -5.336 1.00 0.00 N ATOM 0 H HIS A 17 4.280 11.616 -7.312 1.00 0.00 H new ATOM 0 HA HIS A 17 5.738 9.151 -6.918 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.349 10.302 -5.314 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.681 10.506 -7.023 1.00 0.00 H new ATOM 0 HD1 HIS A 17 7.132 12.873 -8.094 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.785 12.650 -3.925 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.066 15.271 -7.249 1.00 0.00 H new ATOM 259 N ILE A 18 3.983 9.069 -5.147 1.00 0.00 N ATOM 260 CA ILE A 18 3.102 8.924 -3.995 1.00 0.00 C ATOM 261 C ILE A 18 3.741 8.053 -2.919 1.00 0.00 C ATOM 262 O ILE A 18 4.896 7.647 -3.040 1.00 0.00 O ATOM 263 CB ILE A 18 1.747 8.312 -4.397 1.00 0.00 C ATOM 264 CG1 ILE A 18 1.911 6.827 -4.728 1.00 0.00 C ATOM 265 CG2 ILE A 18 1.157 9.063 -5.581 1.00 0.00 C ATOM 266 CD1 ILE A 18 0.602 6.120 -4.997 1.00 0.00 C ATOM 0 H ILE A 18 3.969 8.278 -5.791 1.00 0.00 H new ATOM 0 HA ILE A 18 2.936 9.925 -3.597 1.00 0.00 H new ATOM 0 HB ILE A 18 1.060 8.403 -3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.555 6.727 -5.602 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.418 6.332 -3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.200 8.619 -5.853 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.008 10.109 -5.311 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.840 9.001 -6.428 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.795 5.072 -5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.036 6.189 -4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.102 6.589 -5.845 1.00 0.00 H new ATOM 278 N ASN A 19 2.981 7.768 -1.867 1.00 0.00 N ATOM 279 CA ASN A 19 3.473 6.944 -0.769 1.00 0.00 C ATOM 280 C ASN A 19 2.409 5.947 -0.318 1.00 0.00 C ATOM 281 O ASN A 19 1.231 6.288 -0.206 1.00 0.00 O ATOM 282 CB ASN A 19 3.895 7.824 0.409 1.00 0.00 C ATOM 283 CG ASN A 19 4.945 7.162 1.280 1.00 0.00 C ATOM 284 OD1 ASN A 19 6.113 7.548 1.264 1.00 0.00 O ATOM 285 ND2 ASN A 19 4.531 6.158 2.044 1.00 0.00 N ATOM 0 H ASN A 19 2.022 8.095 -1.752 1.00 0.00 H new ATOM 0 HA ASN A 19 4.340 6.388 -1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.284 8.769 0.031 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.020 8.059 1.015 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.192 5.673 2.651 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.552 5.872 2.024 1.00 0.00 H new ATOM 292 N LEU A 20 2.833 4.715 -0.059 1.00 0.00 N ATOM 293 CA LEU A 20 1.917 3.668 0.381 1.00 0.00 C ATOM 294 C LEU A 20 2.584 2.757 1.407 1.00 0.00 C ATOM 295 O LEU A 20 3.803 2.586 1.402 1.00 0.00 O ATOM 296 CB LEU A 20 1.441 2.843 -0.816 1.00 0.00 C ATOM 297 CG LEU A 20 0.077 3.223 -1.393 1.00 0.00 C ATOM 298 CD1 LEU A 20 0.220 4.342 -2.412 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.593 2.009 -2.022 1.00 0.00 C ATOM 0 H LEU A 20 3.804 4.416 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 20 1.057 4.146 0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.185 2.927 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.408 1.795 -0.519 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.553 3.580 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.761 4.598 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.656 5.218 -1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.868 4.013 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.563 2.298 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.035 1.622 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.732 1.237 -1.265 1.00 0.00 H new ATOM 311 N LYS A 21 1.776 2.173 2.285 1.00 0.00 N ATOM 312 CA LYS A 21 2.286 1.277 3.316 1.00 0.00 C ATOM 313 C LYS A 21 1.243 0.228 3.690 1.00 0.00 C ATOM 314 O LYS A 21 0.232 0.541 4.319 1.00 0.00 O ATOM 315 CB LYS A 21 2.692 2.073 4.558 1.00 0.00 C ATOM 316 CG LYS A 21 1.871 3.333 4.768 1.00 0.00 C ATOM 317 CD LYS A 21 2.310 4.084 6.014 1.00 0.00 C ATOM 318 CE LYS A 21 1.778 3.425 7.278 1.00 0.00 C ATOM 319 NZ LYS A 21 1.841 4.342 8.450 1.00 0.00 N ATOM 0 H LYS A 21 0.765 2.304 2.303 1.00 0.00 H new ATOM 0 HA LYS A 21 3.162 0.767 2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.594 1.435 5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.745 2.345 4.477 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.969 3.982 3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.816 3.071 4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.399 4.122 6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.957 5.114 5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.747 3.111 7.117 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.356 2.525 7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.470 3.856 9.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.828 4.622 8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.269 5.189 8.259 1.00 0.00 H new ATOM 333 N VAL A 22 1.496 -1.017 3.300 1.00 0.00 N ATOM 334 CA VAL A 22 0.580 -2.112 3.596 1.00 0.00 C ATOM 335 C VAL A 22 0.941 -2.789 4.914 1.00 0.00 C ATOM 336 O VAL A 22 2.011 -3.382 5.046 1.00 0.00 O ATOM 337 CB VAL A 22 0.582 -3.166 2.473 1.00 0.00 C ATOM 338 CG1 VAL A 22 -0.072 -2.609 1.217 1.00 0.00 C ATOM 339 CG2 VAL A 22 2.001 -3.631 2.183 1.00 0.00 C ATOM 0 H VAL A 22 2.328 -1.293 2.778 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.417 -1.678 3.674 1.00 0.00 H new ATOM 0 HB VAL A 22 0.002 -4.027 2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.062 -3.368 0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.102 -2.329 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.479 -1.731 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.984 -4.376 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.606 -2.780 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.431 -4.071 3.083 1.00 0.00 H new ATOM 349 N ALA A 23 0.040 -2.697 5.886 1.00 0.00 N ATOM 350 CA ALA A 23 0.262 -3.303 7.193 1.00 0.00 C ATOM 351 C ALA A 23 -0.933 -4.150 7.616 1.00 0.00 C ATOM 352 O ALA A 23 -2.063 -3.665 7.666 1.00 0.00 O ATOM 353 CB ALA A 23 0.544 -2.228 8.232 1.00 0.00 C ATOM 0 H ALA A 23 -0.851 -2.209 5.793 1.00 0.00 H new ATOM 0 HA ALA A 23 1.130 -3.958 7.119 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.708 -2.695 9.203 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.434 -1.668 7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.307 -1.550 8.294 1.00 0.00 H new ATOM 359 N GLY A 24 -0.677 -5.419 7.919 1.00 0.00 N ATOM 360 CA GLY A 24 -1.742 -6.313 8.333 1.00 0.00 C ATOM 361 C GLY A 24 -2.124 -6.125 9.788 1.00 0.00 C ATOM 362 O GLY A 24 -1.263 -5.898 10.638 1.00 0.00 O ATOM 0 H GLY A 24 0.250 -5.844 7.885 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.618 -6.145 7.706 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.429 -7.345 8.173 1.00 0.00 H new ATOM 366 N GLN A 25 -3.419 -6.218 10.075 1.00 0.00 N ATOM 367 CA GLN A 25 -3.912 -6.054 11.437 1.00 0.00 C ATOM 368 C GLN A 25 -3.280 -7.079 12.373 1.00 0.00 C ATOM 369 O GLN A 25 -3.268 -6.899 13.591 1.00 0.00 O ATOM 370 CB GLN A 25 -5.436 -6.188 11.470 1.00 0.00 C ATOM 371 CG GLN A 25 -6.009 -6.276 12.875 1.00 0.00 C ATOM 372 CD GLN A 25 -5.552 -5.137 13.764 1.00 0.00 C ATOM 373 OE1 GLN A 25 -4.987 -5.358 14.836 1.00 0.00 O ATOM 374 NE2 GLN A 25 -5.794 -3.908 13.324 1.00 0.00 N ATOM 0 H GLN A 25 -4.144 -6.406 9.383 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.634 -5.057 11.779 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.879 -5.333 10.959 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.726 -7.078 10.912 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -7.098 -6.275 12.820 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.714 -7.224 13.325 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.265 -3.770 12.430 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.509 -3.102 13.880 1.00 0.00 H new ATOM 383 N ASP A 26 -2.755 -8.155 11.796 1.00 0.00 N ATOM 384 CA ASP A 26 -2.120 -9.209 12.578 1.00 0.00 C ATOM 385 C ASP A 26 -0.706 -8.806 12.985 1.00 0.00 C ATOM 386 O ASP A 26 -0.452 -8.483 14.145 1.00 0.00 O ATOM 387 CB ASP A 26 -2.082 -10.513 11.779 1.00 0.00 C ATOM 388 CG ASP A 26 -3.459 -11.122 11.600 1.00 0.00 C ATOM 389 OD1 ASP A 26 -4.446 -10.496 12.038 1.00 0.00 O ATOM 390 OD2 ASP A 26 -3.549 -12.226 11.023 1.00 0.00 O ATOM 0 H ASP A 26 -2.757 -8.320 10.789 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.709 -9.363 13.482 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.642 -10.323 10.800 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.435 -11.228 12.287 1.00 0.00 H new ATOM 395 N GLY A 27 0.211 -8.829 12.023 1.00 0.00 N ATOM 396 CA GLY A 27 1.588 -8.466 12.302 1.00 0.00 C ATOM 397 C GLY A 27 2.394 -8.235 11.039 1.00 0.00 C ATOM 398 O GLY A 27 3.469 -8.809 10.867 1.00 0.00 O ATOM 0 H GLY A 27 0.025 -9.093 11.055 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.606 -7.562 12.911 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.057 -9.256 12.889 1.00 0.00 H new ATOM 402 N SER A 28 1.874 -7.392 10.153 1.00 0.00 N ATOM 403 CA SER A 28 2.550 -7.090 8.897 1.00 0.00 C ATOM 404 C SER A 28 2.665 -5.583 8.690 1.00 0.00 C ATOM 405 O SER A 28 1.856 -4.811 9.205 1.00 0.00 O ATOM 406 CB SER A 28 1.797 -7.721 7.724 1.00 0.00 C ATOM 407 OG SER A 28 2.281 -9.025 7.449 1.00 0.00 O ATOM 0 H SER A 28 0.987 -6.906 10.282 1.00 0.00 H new ATOM 0 HA SER A 28 3.555 -7.510 8.944 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.732 -7.766 7.953 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.906 -7.095 6.839 1.00 0.00 H new ATOM 0 HG SER A 28 1.783 -9.407 6.697 1.00 0.00 H new ATOM 413 N VAL A 29 3.676 -5.172 7.932 1.00 0.00 N ATOM 414 CA VAL A 29 3.898 -3.758 7.655 1.00 0.00 C ATOM 415 C VAL A 29 5.014 -3.566 6.634 1.00 0.00 C ATOM 416 O VAL A 29 6.158 -3.959 6.867 1.00 0.00 O ATOM 417 CB VAL A 29 4.253 -2.983 8.938 1.00 0.00 C ATOM 418 CG1 VAL A 29 5.435 -3.630 9.643 1.00 0.00 C ATOM 419 CG2 VAL A 29 4.546 -1.525 8.617 1.00 0.00 C ATOM 0 H VAL A 29 4.355 -5.798 7.499 1.00 0.00 H new ATOM 0 HA VAL A 29 2.966 -3.366 7.248 1.00 0.00 H new ATOM 0 HB VAL A 29 3.396 -3.017 9.611 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.671 -3.069 10.547 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.183 -4.657 9.909 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.300 -3.629 8.979 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.795 -0.993 9.535 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.386 -1.467 7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.667 -1.069 8.160 1.00 0.00 H new ATOM 429 N VAL A 30 4.675 -2.959 5.501 1.00 0.00 N ATOM 430 CA VAL A 30 5.649 -2.713 4.444 1.00 0.00 C ATOM 431 C VAL A 30 5.357 -1.402 3.723 1.00 0.00 C ATOM 432 O VAL A 30 4.263 -1.203 3.196 1.00 0.00 O ATOM 433 CB VAL A 30 5.662 -3.860 3.416 1.00 0.00 C ATOM 434 CG1 VAL A 30 6.783 -3.660 2.408 1.00 0.00 C ATOM 435 CG2 VAL A 30 5.799 -5.203 4.118 1.00 0.00 C ATOM 0 H VAL A 30 3.733 -2.629 5.292 1.00 0.00 H new ATOM 0 HA VAL A 30 6.627 -2.652 4.921 1.00 0.00 H new ATOM 0 HB VAL A 30 4.715 -3.853 2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.777 -4.480 1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.636 -2.716 1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.741 -3.640 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.806 -6.002 3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.730 -5.224 4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.958 -5.346 4.797 1.00 0.00 H new ATOM 445 N GLN A 31 6.344 -0.512 3.703 1.00 0.00 N ATOM 446 CA GLN A 31 6.193 0.781 3.046 1.00 0.00 C ATOM 447 C GLN A 31 6.884 0.784 1.686 1.00 0.00 C ATOM 448 O GLN A 31 7.831 0.031 1.457 1.00 0.00 O ATOM 449 CB GLN A 31 6.766 1.894 3.925 1.00 0.00 C ATOM 450 CG GLN A 31 8.119 1.555 4.529 1.00 0.00 C ATOM 451 CD GLN A 31 8.019 1.120 5.978 1.00 0.00 C ATOM 452 OE1 GLN A 31 6.934 1.101 6.559 1.00 0.00 O ATOM 453 NE2 GLN A 31 9.154 0.768 6.570 1.00 0.00 N ATOM 0 H GLN A 31 7.256 -0.662 4.134 1.00 0.00 H new ATOM 0 HA GLN A 31 5.129 0.961 2.893 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.860 2.803 3.331 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.062 2.110 4.729 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.584 0.760 3.946 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.772 2.425 4.459 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.031 0.799 6.050 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.149 0.467 7.544 1.00 0.00 H new ATOM 462 N PHE A 32 6.403 1.636 0.786 1.00 0.00 N ATOM 463 CA PHE A 32 6.973 1.736 -0.552 1.00 0.00 C ATOM 464 C PHE A 32 6.793 3.142 -1.116 1.00 0.00 C ATOM 465 O PHE A 32 6.069 3.962 -0.552 1.00 0.00 O ATOM 466 CB PHE A 32 6.322 0.713 -1.485 1.00 0.00 C ATOM 467 CG PHE A 32 7.200 -0.467 -1.787 1.00 0.00 C ATOM 468 CD1 PHE A 32 7.217 -1.568 -0.946 1.00 0.00 C ATOM 469 CD2 PHE A 32 8.008 -0.476 -2.913 1.00 0.00 C ATOM 470 CE1 PHE A 32 8.024 -2.656 -1.222 1.00 0.00 C ATOM 471 CE2 PHE A 32 8.818 -1.561 -3.193 1.00 0.00 C ATOM 472 CZ PHE A 32 8.825 -2.652 -2.347 1.00 0.00 C ATOM 0 H PHE A 32 5.620 2.267 0.959 1.00 0.00 H new ATOM 0 HA PHE A 32 8.040 1.525 -0.482 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.395 0.360 -1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.054 1.205 -2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.593 -1.576 -0.065 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.005 0.374 -3.579 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.028 -3.508 -0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.445 -1.555 -4.073 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.456 -3.501 -2.565 1.00 0.00 H new ATOM 482 N LYS A 33 7.458 3.415 -2.234 1.00 0.00 N ATOM 483 CA LYS A 33 7.373 4.721 -2.876 1.00 0.00 C ATOM 484 C LYS A 33 7.442 4.586 -4.394 1.00 0.00 C ATOM 485 O LYS A 33 8.390 4.014 -4.933 1.00 0.00 O ATOM 486 CB LYS A 33 8.501 5.630 -2.383 1.00 0.00 C ATOM 487 CG LYS A 33 8.144 6.422 -1.137 1.00 0.00 C ATOM 488 CD LYS A 33 7.761 7.852 -1.477 1.00 0.00 C ATOM 489 CE LYS A 33 8.382 8.842 -0.504 1.00 0.00 C ATOM 490 NZ LYS A 33 9.692 9.354 -0.994 1.00 0.00 N ATOM 0 H LYS A 33 8.062 2.748 -2.714 1.00 0.00 H new ATOM 0 HA LYS A 33 6.414 5.166 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.382 5.022 -2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.771 6.324 -3.179 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.317 5.936 -0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.991 6.424 -0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.085 8.085 -2.491 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.676 7.953 -1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.699 9.678 -0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.519 8.362 0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.083 10.026 -0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.352 8.559 -1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.558 9.835 -1.906 1.00 0.00 H new ATOM 504 N ILE A 34 6.433 5.116 -5.077 1.00 0.00 N ATOM 505 CA ILE A 34 6.381 5.057 -6.532 1.00 0.00 C ATOM 506 C ILE A 34 5.433 6.111 -7.092 1.00 0.00 C ATOM 507 O ILE A 34 4.681 6.743 -6.350 1.00 0.00 O ATOM 508 CB ILE A 34 5.933 3.667 -7.023 1.00 0.00 C ATOM 509 CG1 ILE A 34 6.545 3.364 -8.393 1.00 0.00 C ATOM 510 CG2 ILE A 34 4.415 3.592 -7.088 1.00 0.00 C ATOM 511 CD1 ILE A 34 6.679 1.886 -8.681 1.00 0.00 C ATOM 0 H ILE A 34 5.640 5.591 -4.646 1.00 0.00 H new ATOM 0 HA ILE A 34 7.391 5.253 -6.892 1.00 0.00 H new ATOM 0 HB ILE A 34 6.285 2.917 -6.314 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.929 3.822 -9.167 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.529 3.828 -8.453 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.114 2.604 -7.437 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.999 3.769 -6.096 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.043 4.349 -7.778 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.120 1.746 -9.668 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.320 1.425 -7.929 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.694 1.419 -8.654 1.00 0.00 H new ATOM 523 N LYS A 35 5.472 6.296 -8.408 1.00 0.00 N ATOM 524 CA LYS A 35 4.614 7.271 -9.070 1.00 0.00 C ATOM 525 C LYS A 35 3.142 6.920 -8.879 1.00 0.00 C ATOM 526 O LYS A 35 2.806 5.991 -8.145 1.00 0.00 O ATOM 527 CB LYS A 35 4.944 7.340 -10.563 1.00 0.00 C ATOM 528 CG LYS A 35 4.875 5.995 -11.264 1.00 0.00 C ATOM 529 CD LYS A 35 5.964 5.857 -12.314 1.00 0.00 C ATOM 530 CE LYS A 35 5.999 4.454 -12.900 1.00 0.00 C ATOM 531 NZ LYS A 35 6.686 3.492 -11.994 1.00 0.00 N ATOM 0 H LYS A 35 6.089 5.783 -9.037 1.00 0.00 H new ATOM 0 HA LYS A 35 4.798 8.246 -8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.252 8.029 -11.048 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.945 7.754 -10.687 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.973 5.196 -10.530 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.898 5.878 -11.734 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.796 6.581 -13.111 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.931 6.091 -11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.981 4.113 -13.087 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.510 4.475 -13.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.931 2.631 -12.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.553 3.927 -11.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.054 3.245 -11.206 1.00 0.00 H new ATOM 545 N ARG A 36 2.269 7.667 -9.546 1.00 0.00 N ATOM 546 CA ARG A 36 0.833 7.434 -9.450 1.00 0.00 C ATOM 547 C ARG A 36 0.341 6.586 -10.620 1.00 0.00 C ATOM 548 O ARG A 36 -0.823 6.185 -10.662 1.00 0.00 O ATOM 549 CB ARG A 36 0.080 8.765 -9.418 1.00 0.00 C ATOM 550 CG ARG A 36 0.041 9.476 -10.761 1.00 0.00 C ATOM 551 CD ARG A 36 -0.782 10.753 -10.692 1.00 0.00 C ATOM 552 NE ARG A 36 -0.548 11.617 -11.846 1.00 0.00 N ATOM 553 CZ ARG A 36 -0.973 11.337 -13.073 1.00 0.00 C ATOM 554 NH1 ARG A 36 -1.652 10.222 -13.304 1.00 0.00 N ATOM 555 NH2 ARG A 36 -0.721 12.174 -14.071 1.00 0.00 N ATOM 0 H ARG A 36 2.531 8.439 -10.159 1.00 0.00 H new ATOM 0 HA ARG A 36 0.639 6.893 -8.524 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.941 8.587 -9.081 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.548 9.420 -8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.057 9.713 -11.078 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.381 8.810 -11.514 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.841 10.500 -10.637 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.536 11.294 -9.778 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.029 12.483 -11.702 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.849 9.577 -12.539 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.977 10.009 -14.247 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.200 13.034 -13.897 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.048 11.958 -15.013 1.00 0.00 H new ATOM 569 N HIS A 37 1.233 6.319 -11.567 1.00 0.00 N ATOM 570 CA HIS A 37 0.890 5.519 -12.738 1.00 0.00 C ATOM 571 C HIS A 37 1.516 4.130 -12.650 1.00 0.00 C ATOM 572 O HIS A 37 1.994 3.589 -13.647 1.00 0.00 O ATOM 573 CB HIS A 37 1.353 6.220 -14.015 1.00 0.00 C ATOM 574 CG HIS A 37 0.755 5.647 -15.263 1.00 0.00 C ATOM 575 ND1 HIS A 37 -0.426 4.937 -15.274 1.00 0.00 N ATOM 576 CD2 HIS A 37 1.183 5.684 -16.547 1.00 0.00 C ATOM 577 CE1 HIS A 37 -0.699 4.560 -16.511 1.00 0.00 C ATOM 578 NE2 HIS A 37 0.261 5.001 -17.302 1.00 0.00 N ATOM 0 H HIS A 37 2.199 6.645 -11.547 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.194 5.408 -12.766 1.00 0.00 H new ATOM 0 HB2 HIS A 37 1.098 7.278 -13.952 1.00 0.00 H new ATOM 0 HB3 HIS A 37 2.439 6.158 -14.081 1.00 0.00 H new ATOM 0 HD2 HIS A 37 2.081 6.161 -16.910 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -1.561 3.988 -16.822 1.00 0.00 H new ATOM 0 HE2 HIS A 37 0.310 4.858 -18.311 1.00 0.00 H new ATOM 586 N THR A 38 1.512 3.559 -11.449 1.00 0.00 N ATOM 587 CA THR A 38 2.081 2.235 -11.231 1.00 0.00 C ATOM 588 C THR A 38 0.994 1.216 -10.910 1.00 0.00 C ATOM 589 O THR A 38 0.122 1.445 -10.072 1.00 0.00 O ATOM 590 CB THR A 38 3.111 2.249 -10.085 1.00 0.00 C ATOM 591 OG1 THR A 38 4.364 2.754 -10.559 1.00 0.00 O ATOM 592 CG2 THR A 38 3.304 0.852 -9.515 1.00 0.00 C ATOM 0 H THR A 38 1.121 3.993 -10.613 1.00 0.00 H new ATOM 0 HA THR A 38 2.581 1.949 -12.156 1.00 0.00 H new ATOM 0 HB THR A 38 2.734 2.898 -9.294 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.866 2.031 -10.991 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.035 0.886 -8.708 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.354 0.482 -9.129 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.661 0.185 -10.300 1.00 0.00 H new ATOM 600 N PRO A 39 1.045 0.061 -11.590 1.00 0.00 N ATOM 601 CA PRO A 39 0.073 -1.018 -11.393 1.00 0.00 C ATOM 602 C PRO A 39 0.227 -1.697 -10.037 1.00 0.00 C ATOM 603 O PRO A 39 1.276 -2.267 -9.732 1.00 0.00 O ATOM 604 CB PRO A 39 0.398 -1.999 -12.522 1.00 0.00 C ATOM 605 CG PRO A 39 1.831 -1.748 -12.842 1.00 0.00 C ATOM 606 CD PRO A 39 2.057 -0.281 -12.604 1.00 0.00 C ATOM 0 HA PRO A 39 -0.953 -0.650 -11.411 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.237 -3.030 -12.208 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.237 -1.827 -13.391 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.483 -2.351 -12.210 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.053 -2.014 -13.875 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.067 -0.083 -12.246 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.923 0.299 -13.517 1.00 0.00 H new ATOM 614 N LEU A 40 -0.823 -1.633 -9.225 1.00 0.00 N ATOM 615 CA LEU A 40 -0.804 -2.243 -7.900 1.00 0.00 C ATOM 616 C LEU A 40 -0.337 -3.693 -7.975 1.00 0.00 C ATOM 617 O LEU A 40 0.283 -4.205 -7.042 1.00 0.00 O ATOM 618 CB LEU A 40 -2.194 -2.175 -7.266 1.00 0.00 C ATOM 619 CG LEU A 40 -2.548 -0.864 -6.563 1.00 0.00 C ATOM 620 CD1 LEU A 40 -4.033 -0.816 -6.238 1.00 0.00 C ATOM 621 CD2 LEU A 40 -1.718 -0.696 -5.298 1.00 0.00 C ATOM 0 H LEU A 40 -1.698 -1.165 -9.461 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.101 -1.686 -7.280 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.935 -2.359 -8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.282 -2.987 -6.544 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.318 -0.039 -7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.266 0.124 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.610 -0.889 -7.160 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.289 -1.648 -5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.983 0.242 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.916 -1.526 -4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.659 -0.684 -5.556 1.00 0.00 H new ATOM 633 N SER A 41 -0.637 -4.349 -9.091 1.00 0.00 N ATOM 634 CA SER A 41 -0.249 -5.742 -9.287 1.00 0.00 C ATOM 635 C SER A 41 1.237 -5.936 -9.004 1.00 0.00 C ATOM 636 O SER A 41 1.629 -6.853 -8.282 1.00 0.00 O ATOM 637 CB SER A 41 -0.571 -6.186 -10.715 1.00 0.00 C ATOM 638 OG SER A 41 -0.506 -5.095 -11.616 1.00 0.00 O ATOM 0 H SER A 41 -1.147 -3.939 -9.873 1.00 0.00 H new ATOM 0 HA SER A 41 -0.817 -6.355 -8.587 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.131 -6.960 -11.025 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.567 -6.628 -10.746 1.00 0.00 H new ATOM 0 HG SER A 41 -0.714 -5.406 -12.522 1.00 0.00 H new ATOM 644 N LYS A 42 2.061 -5.067 -9.579 1.00 0.00 N ATOM 645 CA LYS A 42 3.505 -5.140 -9.389 1.00 0.00 C ATOM 646 C LYS A 42 3.856 -5.232 -7.908 1.00 0.00 C ATOM 647 O LYS A 42 4.874 -5.816 -7.535 1.00 0.00 O ATOM 648 CB LYS A 42 4.185 -3.917 -10.010 1.00 0.00 C ATOM 649 CG LYS A 42 4.073 -2.663 -9.161 1.00 0.00 C ATOM 650 CD LYS A 42 5.288 -2.484 -8.267 1.00 0.00 C ATOM 651 CE LYS A 42 6.406 -1.747 -8.988 1.00 0.00 C ATOM 652 NZ LYS A 42 7.530 -1.409 -8.071 1.00 0.00 N ATOM 0 H LYS A 42 1.753 -4.303 -10.181 1.00 0.00 H new ATOM 0 HA LYS A 42 3.866 -6.040 -9.886 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.239 -4.142 -10.174 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.744 -3.724 -10.988 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.965 -1.793 -9.808 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.174 -2.717 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.004 -1.931 -7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.646 -3.460 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.778 -2.363 -9.807 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.011 -0.833 -9.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.271 -0.908 -8.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.181 -0.800 -7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.924 -2.283 -7.668 1.00 0.00 H new ATOM 666 N LEU A 43 3.006 -4.654 -7.067 1.00 0.00 N ATOM 667 CA LEU A 43 3.225 -4.672 -5.624 1.00 0.00 C ATOM 668 C LEU A 43 2.913 -6.047 -5.043 1.00 0.00 C ATOM 669 O LEU A 43 3.677 -6.580 -4.239 1.00 0.00 O ATOM 670 CB LEU A 43 2.359 -3.610 -4.944 1.00 0.00 C ATOM 671 CG LEU A 43 2.880 -3.072 -3.611 1.00 0.00 C ATOM 672 CD1 LEU A 43 4.247 -2.431 -3.792 1.00 0.00 C ATOM 673 CD2 LEU A 43 1.896 -2.076 -3.016 1.00 0.00 C ATOM 0 H LEU A 43 2.159 -4.167 -7.359 1.00 0.00 H new ATOM 0 HA LEU A 43 4.276 -4.449 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.242 -2.771 -5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.366 -4.029 -4.781 1.00 0.00 H new ATOM 0 HG LEU A 43 2.982 -3.908 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.602 -2.054 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.949 -3.173 -4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.171 -1.606 -4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.284 -1.704 -2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.761 -1.242 -3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.938 -2.567 -2.848 1.00 0.00 H new ATOM 685 N MET A 44 1.786 -6.617 -5.458 1.00 0.00 N ATOM 686 CA MET A 44 1.375 -7.933 -4.981 1.00 0.00 C ATOM 687 C MET A 44 2.311 -9.018 -5.504 1.00 0.00 C ATOM 688 O MET A 44 2.829 -9.828 -4.736 1.00 0.00 O ATOM 689 CB MET A 44 -0.062 -8.230 -5.414 1.00 0.00 C ATOM 690 CG MET A 44 -0.626 -9.507 -4.813 1.00 0.00 C ATOM 691 SD MET A 44 -0.360 -10.947 -5.865 1.00 0.00 S ATOM 692 CE MET A 44 -1.614 -12.061 -5.237 1.00 0.00 C ATOM 0 H MET A 44 1.142 -6.189 -6.123 1.00 0.00 H new ATOM 0 HA MET A 44 1.425 -7.929 -3.892 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.699 -7.392 -5.130 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.098 -8.303 -6.501 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.164 -9.682 -3.841 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.695 -9.381 -4.640 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.576 -13.000 -5.789 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.433 -12.254 -4.180 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.598 -11.608 -5.359 1.00 0.00 H new ATOM 702 N LYS A 45 2.523 -9.027 -6.816 1.00 0.00 N ATOM 703 CA LYS A 45 3.397 -10.012 -7.443 1.00 0.00 C ATOM 704 C LYS A 45 4.744 -10.075 -6.730 1.00 0.00 C ATOM 705 O LYS A 45 5.218 -11.153 -6.373 1.00 0.00 O ATOM 706 CB LYS A 45 3.604 -9.672 -8.920 1.00 0.00 C ATOM 707 CG LYS A 45 4.669 -10.520 -9.595 1.00 0.00 C ATOM 708 CD LYS A 45 4.887 -10.097 -11.038 1.00 0.00 C ATOM 709 CE LYS A 45 4.015 -10.899 -11.992 1.00 0.00 C ATOM 710 NZ LYS A 45 2.586 -10.485 -11.919 1.00 0.00 N ATOM 0 H LYS A 45 2.101 -8.363 -7.466 1.00 0.00 H new ATOM 0 HA LYS A 45 2.919 -10.989 -7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.660 -9.800 -9.450 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.879 -8.621 -9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.606 -10.435 -9.045 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.374 -11.569 -9.563 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.664 -9.035 -11.145 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.936 -10.230 -11.303 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.379 -10.770 -13.011 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.098 -11.960 -11.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.113 -10.711 -12.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.117 -10.993 -11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.530 -9.461 -11.747 1.00 0.00 H new ATOM 724 N ALA A 46 5.356 -8.913 -6.527 1.00 0.00 N ATOM 725 CA ALA A 46 6.646 -8.836 -5.854 1.00 0.00 C ATOM 726 C ALA A 46 6.563 -9.402 -4.440 1.00 0.00 C ATOM 727 O ALA A 46 7.439 -10.152 -4.009 1.00 0.00 O ATOM 728 CB ALA A 46 7.139 -7.397 -5.820 1.00 0.00 C ATOM 0 H ALA A 46 4.979 -8.012 -6.819 1.00 0.00 H new ATOM 0 HA ALA A 46 7.358 -9.439 -6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.104 -7.355 -5.314 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.247 -7.025 -6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.420 -6.779 -5.282 1.00 0.00 H new ATOM 734 N TYR A 47 5.506 -9.038 -3.724 1.00 0.00 N ATOM 735 CA TYR A 47 5.310 -9.508 -2.357 1.00 0.00 C ATOM 736 C TYR A 47 5.452 -11.025 -2.277 1.00 0.00 C ATOM 737 O TYR A 47 6.243 -11.545 -1.489 1.00 0.00 O ATOM 738 CB TYR A 47 3.933 -9.085 -1.843 1.00 0.00 C ATOM 739 CG TYR A 47 3.895 -8.835 -0.352 1.00 0.00 C ATOM 740 CD1 TYR A 47 4.295 -9.816 0.547 1.00 0.00 C ATOM 741 CD2 TYR A 47 3.458 -7.619 0.158 1.00 0.00 C ATOM 742 CE1 TYR A 47 4.261 -9.592 1.910 1.00 0.00 C ATOM 743 CE2 TYR A 47 3.422 -7.386 1.519 1.00 0.00 C ATOM 744 CZ TYR A 47 3.823 -8.376 2.391 1.00 0.00 C ATOM 745 OH TYR A 47 3.789 -8.149 3.748 1.00 0.00 O ATOM 0 H TYR A 47 4.771 -8.419 -4.067 1.00 0.00 H new ATOM 0 HA TYR A 47 6.079 -9.056 -1.730 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.623 -8.179 -2.363 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.208 -9.860 -2.092 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.638 -10.770 0.174 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.141 -6.842 -0.522 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.576 -10.365 2.595 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.082 -6.434 1.898 1.00 0.00 H new ATOM 0 HH TYR A 47 3.457 -7.243 3.920 1.00 0.00 H new ATOM 755 N CYS A 48 4.679 -11.729 -3.097 1.00 0.00 N ATOM 756 CA CYS A 48 4.717 -13.187 -3.120 1.00 0.00 C ATOM 757 C CYS A 48 6.150 -13.691 -3.251 1.00 0.00 C ATOM 758 O CYS A 48 6.581 -14.566 -2.500 1.00 0.00 O ATOM 759 CB CYS A 48 3.868 -13.721 -4.274 1.00 0.00 C ATOM 760 SG CYS A 48 3.502 -15.488 -4.164 1.00 0.00 S ATOM 0 H CYS A 48 4.019 -11.314 -3.754 1.00 0.00 H new ATOM 0 HA CYS A 48 4.308 -13.552 -2.178 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.929 -13.168 -4.307 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.386 -13.526 -5.213 1.00 0.00 H new ATOM 0 HG CYS A 48 2.778 -15.845 -5.183 1.00 0.00 H new ATOM 766 N GLU A 49 6.883 -13.135 -4.210 1.00 0.00 N ATOM 767 CA GLU A 49 8.268 -13.531 -4.440 1.00 0.00 C ATOM 768 C GLU A 49 9.064 -13.506 -3.139 1.00 0.00 C ATOM 769 O GLU A 49 9.960 -14.325 -2.931 1.00 0.00 O ATOM 770 CB GLU A 49 8.922 -12.607 -5.470 1.00 0.00 C ATOM 771 CG GLU A 49 10.139 -13.214 -6.146 1.00 0.00 C ATOM 772 CD GLU A 49 10.795 -12.264 -7.129 1.00 0.00 C ATOM 773 OE1 GLU A 49 11.657 -11.468 -6.699 1.00 0.00 O ATOM 774 OE2 GLU A 49 10.447 -12.315 -8.327 1.00 0.00 O ATOM 0 H GLU A 49 6.541 -12.409 -4.840 1.00 0.00 H new ATOM 0 HA GLU A 49 8.268 -14.550 -4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.186 -12.347 -6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.215 -11.679 -4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.865 -13.503 -5.386 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.844 -14.124 -6.668 1.00 0.00 H new ATOM 781 N ARG A 50 8.732 -12.560 -2.267 1.00 0.00 N ATOM 782 CA ARG A 50 9.417 -12.426 -0.987 1.00 0.00 C ATOM 783 C ARG A 50 8.919 -13.471 0.008 1.00 0.00 C ATOM 784 O ARG A 50 9.672 -14.348 0.429 1.00 0.00 O ATOM 785 CB ARG A 50 9.207 -11.022 -0.416 1.00 0.00 C ATOM 786 CG ARG A 50 10.346 -10.549 0.472 1.00 0.00 C ATOM 787 CD ARG A 50 10.178 -11.040 1.902 1.00 0.00 C ATOM 788 NE ARG A 50 9.371 -10.125 2.704 1.00 0.00 N ATOM 789 CZ ARG A 50 9.776 -8.913 3.067 1.00 0.00 C ATOM 790 NH1 ARG A 50 10.972 -8.473 2.700 1.00 0.00 N ATOM 791 NH2 ARG A 50 8.985 -8.139 3.797 1.00 0.00 N ATOM 0 H ARG A 50 7.993 -11.875 -2.423 1.00 0.00 H new ATOM 0 HA ARG A 50 10.482 -12.587 -1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.084 -10.319 -1.240 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.280 -11.007 0.157 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.294 -10.908 0.072 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.388 -9.460 0.463 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.710 -12.024 1.895 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.159 -11.157 2.363 1.00 0.00 H new ATOM 0 HE ARG A 50 8.445 -10.433 3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.583 -9.066 2.138 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.281 -7.542 2.980 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.064 -8.474 4.081 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.297 -7.209 4.075 1.00 0.00 H new ATOM 805 N GLN A 51 7.647 -13.369 0.378 1.00 0.00 N ATOM 806 CA GLN A 51 7.050 -14.304 1.324 1.00 0.00 C ATOM 807 C GLN A 51 5.676 -14.762 0.844 1.00 0.00 C ATOM 808 O GLN A 51 4.649 -14.328 1.365 1.00 0.00 O ATOM 809 CB GLN A 51 6.932 -13.659 2.706 1.00 0.00 C ATOM 810 CG GLN A 51 6.403 -12.235 2.669 1.00 0.00 C ATOM 811 CD GLN A 51 6.360 -11.593 4.042 1.00 0.00 C ATOM 812 OE1 GLN A 51 6.183 -12.273 5.053 1.00 0.00 O ATOM 813 NE2 GLN A 51 6.523 -10.275 4.085 1.00 0.00 N ATOM 0 H GLN A 51 7.010 -12.649 0.037 1.00 0.00 H new ATOM 0 HA GLN A 51 7.700 -15.176 1.393 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.273 -14.267 3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.912 -13.662 3.184 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.031 -11.635 2.011 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.401 -12.235 2.240 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.667 -9.751 3.222 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.504 -9.788 4.981 1.00 0.00 H new ATOM 822 N GLY A 52 5.665 -15.640 -0.154 1.00 0.00 N ATOM 823 CA GLY A 52 4.412 -16.141 -0.688 1.00 0.00 C ATOM 824 C GLY A 52 3.907 -17.357 0.062 1.00 0.00 C ATOM 825 O GLY A 52 3.932 -18.472 -0.460 1.00 0.00 O ATOM 0 H GLY A 52 6.502 -16.013 -0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.661 -15.353 -0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.545 -16.396 -1.739 1.00 0.00 H new ATOM 829 N LEU A 53 3.449 -17.145 1.291 1.00 0.00 N ATOM 830 CA LEU A 53 2.938 -18.234 2.115 1.00 0.00 C ATOM 831 C LEU A 53 1.441 -18.427 1.895 1.00 0.00 C ATOM 832 O LEU A 53 0.906 -19.513 2.116 1.00 0.00 O ATOM 833 CB LEU A 53 3.215 -17.953 3.594 1.00 0.00 C ATOM 834 CG LEU A 53 4.588 -17.365 3.919 1.00 0.00 C ATOM 835 CD1 LEU A 53 4.710 -17.088 5.410 1.00 0.00 C ATOM 836 CD2 LEU A 53 5.693 -18.302 3.457 1.00 0.00 C ATOM 0 H LEU A 53 3.421 -16.229 1.738 1.00 0.00 H new ATOM 0 HA LEU A 53 3.451 -19.150 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.452 -17.267 3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.100 -18.885 4.148 1.00 0.00 H new ATOM 0 HG LEU A 53 4.693 -16.421 3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.694 -16.670 5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.940 -16.378 5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.583 -18.018 5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.663 -17.867 3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.591 -19.262 3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.618 -18.450 2.380 1.00 0.00 H new ATOM 848 N SER A 54 0.771 -17.367 1.454 1.00 0.00 N ATOM 849 CA SER A 54 -0.665 -17.419 1.205 1.00 0.00 C ATOM 850 C SER A 54 -1.034 -16.587 -0.019 1.00 0.00 C ATOM 851 O SER A 54 -1.281 -15.385 0.085 1.00 0.00 O ATOM 852 CB SER A 54 -1.435 -16.918 2.428 1.00 0.00 C ATOM 853 OG SER A 54 -2.695 -17.558 2.534 1.00 0.00 O ATOM 0 H SER A 54 1.200 -16.462 1.262 1.00 0.00 H new ATOM 0 HA SER A 54 -0.938 -18.457 1.013 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.852 -17.104 3.330 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.576 -15.840 2.356 1.00 0.00 H new ATOM 0 HG SER A 54 -3.025 -17.479 3.453 1.00 0.00 H new ATOM 859 N MET A 55 -1.069 -17.235 -1.179 1.00 0.00 N ATOM 860 CA MET A 55 -1.409 -16.555 -2.424 1.00 0.00 C ATOM 861 C MET A 55 -2.909 -16.628 -2.691 1.00 0.00 C ATOM 862 O MET A 55 -3.368 -16.331 -3.794 1.00 0.00 O ATOM 863 CB MET A 55 -0.641 -17.173 -3.594 1.00 0.00 C ATOM 864 CG MET A 55 -0.970 -18.638 -3.831 1.00 0.00 C ATOM 865 SD MET A 55 -0.194 -19.291 -5.322 1.00 0.00 S ATOM 866 CE MET A 55 0.532 -20.802 -4.691 1.00 0.00 C ATOM 0 H MET A 55 -0.866 -18.229 -1.283 1.00 0.00 H new ATOM 0 HA MET A 55 -1.126 -15.507 -2.325 1.00 0.00 H new ATOM 0 HB2 MET A 55 -0.860 -16.609 -4.500 1.00 0.00 H new ATOM 0 HB3 MET A 55 0.429 -17.075 -3.408 1.00 0.00 H new ATOM 0 HG2 MET A 55 -0.645 -19.223 -2.971 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.051 -18.756 -3.907 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.050 -21.321 -5.497 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.242 -20.562 -3.900 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.253 -21.444 -4.291 1.00 0.00 H new ATOM 876 N ARG A 56 -3.668 -17.025 -1.675 1.00 0.00 N ATOM 877 CA ARG A 56 -5.116 -17.139 -1.801 1.00 0.00 C ATOM 878 C ARG A 56 -5.817 -16.510 -0.600 1.00 0.00 C ATOM 879 O ARG A 56 -7.034 -16.621 -0.453 1.00 0.00 O ATOM 880 CB ARG A 56 -5.525 -18.607 -1.933 1.00 0.00 C ATOM 881 CG ARG A 56 -4.916 -19.302 -3.140 1.00 0.00 C ATOM 882 CD ARG A 56 -5.550 -18.823 -4.437 1.00 0.00 C ATOM 883 NE ARG A 56 -6.984 -19.094 -4.478 1.00 0.00 N ATOM 884 CZ ARG A 56 -7.725 -18.966 -5.573 1.00 0.00 C ATOM 885 NH1 ARG A 56 -7.169 -18.575 -6.711 1.00 0.00 N ATOM 886 NH2 ARG A 56 -9.024 -19.232 -5.531 1.00 0.00 N ATOM 0 H ARG A 56 -3.304 -17.273 -0.755 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.420 -16.603 -2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.230 -19.140 -1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.611 -18.668 -1.999 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.843 -19.113 -3.167 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.048 -20.380 -3.046 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.380 -17.752 -4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.064 -19.313 -5.281 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.442 -19.398 -3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.170 -18.372 -6.747 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.740 -18.477 -7.551 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.455 -19.535 -4.657 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.592 -19.133 -6.372 1.00 0.00 H new ATOM 900 N GLN A 57 -5.041 -15.853 0.255 1.00 0.00 N ATOM 901 CA GLN A 57 -5.588 -15.209 1.443 1.00 0.00 C ATOM 902 C GLN A 57 -5.228 -13.727 1.473 1.00 0.00 C ATOM 903 O GLN A 57 -6.027 -12.893 1.902 1.00 0.00 O ATOM 904 CB GLN A 57 -5.069 -15.897 2.707 1.00 0.00 C ATOM 905 CG GLN A 57 -6.002 -15.763 3.900 1.00 0.00 C ATOM 906 CD GLN A 57 -5.438 -16.397 5.156 1.00 0.00 C ATOM 907 OE1 GLN A 57 -4.250 -16.268 5.451 1.00 0.00 O ATOM 908 NE2 GLN A 57 -6.290 -17.088 5.904 1.00 0.00 N ATOM 0 H GLN A 57 -4.032 -15.753 0.147 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.674 -15.300 1.408 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.912 -16.955 2.496 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.098 -15.476 2.967 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.197 -14.707 4.087 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.959 -16.227 3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.267 -17.169 5.622 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.968 -17.538 6.761 1.00 0.00 H new ATOM 917 N ILE A 58 -4.023 -13.406 1.016 1.00 0.00 N ATOM 918 CA ILE A 58 -3.558 -12.025 0.990 1.00 0.00 C ATOM 919 C ILE A 58 -4.343 -11.200 -0.025 1.00 0.00 C ATOM 920 O ILE A 58 -4.368 -11.521 -1.214 1.00 0.00 O ATOM 921 CB ILE A 58 -2.058 -11.941 0.653 1.00 0.00 C ATOM 922 CG1 ILE A 58 -1.238 -12.725 1.680 1.00 0.00 C ATOM 923 CG2 ILE A 58 -1.606 -10.489 0.604 1.00 0.00 C ATOM 924 CD1 ILE A 58 0.250 -12.706 1.407 1.00 0.00 C ATOM 0 H ILE A 58 -3.350 -14.084 0.658 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.720 -11.619 1.989 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.896 -12.385 -0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.423 -12.312 2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.583 -13.759 1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.543 -10.447 0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.172 -9.957 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.779 -10.021 1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.768 -13.281 2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.446 -13.146 0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.609 -11.677 1.420 1.00 0.00 H new ATOM 936 N ARG A 59 -4.980 -10.136 0.451 1.00 0.00 N ATOM 937 CA ARG A 59 -5.765 -9.264 -0.415 1.00 0.00 C ATOM 938 C ARG A 59 -5.652 -7.810 0.031 1.00 0.00 C ATOM 939 O ARG A 59 -6.064 -7.454 1.135 1.00 0.00 O ATOM 940 CB ARG A 59 -7.232 -9.696 -0.415 1.00 0.00 C ATOM 941 CG ARG A 59 -7.546 -10.789 -1.424 1.00 0.00 C ATOM 942 CD ARG A 59 -9.006 -10.754 -1.847 1.00 0.00 C ATOM 943 NE ARG A 59 -9.270 -11.642 -2.976 1.00 0.00 N ATOM 944 CZ ARG A 59 -9.340 -12.964 -2.870 1.00 0.00 C ATOM 945 NH1 ARG A 59 -9.168 -13.549 -1.693 1.00 0.00 N ATOM 946 NH2 ARG A 59 -9.585 -13.705 -3.944 1.00 0.00 N ATOM 0 H ARG A 59 -4.968 -9.856 1.432 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.369 -9.347 -1.427 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.499 -10.046 0.582 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.857 -8.828 -0.626 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.909 -10.670 -2.301 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.315 -11.762 -0.991 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.635 -11.042 -1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.281 -9.734 -2.116 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.408 -11.224 -3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.981 -12.984 -0.865 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.222 -14.565 -1.615 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.720 -13.259 -4.851 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.639 -14.720 -3.862 1.00 0.00 H new ATOM 960 N PHE A 60 -5.089 -6.973 -0.835 1.00 0.00 N ATOM 961 CA PHE A 60 -4.920 -5.557 -0.530 1.00 0.00 C ATOM 962 C PHE A 60 -6.253 -4.819 -0.618 1.00 0.00 C ATOM 963 O PHE A 60 -6.937 -4.869 -1.640 1.00 0.00 O ATOM 964 CB PHE A 60 -3.910 -4.924 -1.489 1.00 0.00 C ATOM 965 CG PHE A 60 -2.520 -5.474 -1.344 1.00 0.00 C ATOM 966 CD1 PHE A 60 -1.730 -5.121 -0.261 1.00 0.00 C ATOM 967 CD2 PHE A 60 -2.002 -6.344 -2.290 1.00 0.00 C ATOM 968 CE1 PHE A 60 -0.451 -5.626 -0.125 1.00 0.00 C ATOM 969 CE2 PHE A 60 -0.724 -6.852 -2.159 1.00 0.00 C ATOM 970 CZ PHE A 60 0.053 -6.492 -1.075 1.00 0.00 C ATOM 0 H PHE A 60 -4.742 -7.251 -1.753 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.544 -5.473 0.490 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -4.248 -5.078 -2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.886 -3.847 -1.320 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.119 -4.444 0.485 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.605 -6.628 -3.140 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.154 -5.344 0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.333 -7.530 -2.903 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.053 -6.887 -0.971 1.00 0.00 H new ATOM 980 N ARG A 61 -6.615 -4.134 0.462 1.00 0.00 N ATOM 981 CA ARG A 61 -7.866 -3.387 0.509 1.00 0.00 C ATOM 982 C ARG A 61 -7.714 -2.123 1.351 1.00 0.00 C ATOM 983 O ARG A 61 -7.122 -2.152 2.430 1.00 0.00 O ATOM 984 CB ARG A 61 -8.986 -4.260 1.078 1.00 0.00 C ATOM 985 CG ARG A 61 -8.668 -4.843 2.445 1.00 0.00 C ATOM 986 CD ARG A 61 -9.290 -6.219 2.622 1.00 0.00 C ATOM 987 NE ARG A 61 -9.367 -6.609 4.028 1.00 0.00 N ATOM 988 CZ ARG A 61 -8.328 -7.054 4.725 1.00 0.00 C ATOM 989 NH1 ARG A 61 -7.138 -7.166 4.150 1.00 0.00 N ATOM 990 NH2 ARG A 61 -8.478 -7.389 6.000 1.00 0.00 N ATOM 0 H ARG A 61 -6.060 -4.081 1.316 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.124 -3.096 -0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.898 -3.667 1.148 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.189 -5.075 0.383 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.587 -4.912 2.570 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.036 -4.173 3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.291 -6.223 2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.703 -6.955 2.073 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.268 -6.535 4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.019 -6.910 3.170 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.342 -7.508 4.688 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.392 -7.305 6.445 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.680 -7.731 6.535 1.00 0.00 H new ATOM 1004 N PHE A 62 -8.251 -1.016 0.850 1.00 0.00 N ATOM 1005 CA PHE A 62 -8.174 0.258 1.555 1.00 0.00 C ATOM 1006 C PHE A 62 -9.455 0.523 2.341 1.00 0.00 C ATOM 1007 O PHE A 62 -10.457 -0.170 2.168 1.00 0.00 O ATOM 1008 CB PHE A 62 -7.924 1.398 0.566 1.00 0.00 C ATOM 1009 CG PHE A 62 -7.363 2.635 1.207 1.00 0.00 C ATOM 1010 CD1 PHE A 62 -6.159 2.591 1.891 1.00 0.00 C ATOM 1011 CD2 PHE A 62 -8.039 3.842 1.124 1.00 0.00 C ATOM 1012 CE1 PHE A 62 -5.639 3.728 2.482 1.00 0.00 C ATOM 1013 CE2 PHE A 62 -7.523 4.982 1.712 1.00 0.00 C ATOM 1014 CZ PHE A 62 -6.323 4.924 2.393 1.00 0.00 C ATOM 0 H PHE A 62 -8.744 -0.975 -0.042 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.342 0.206 2.257 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.236 1.054 -0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.861 1.649 0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.620 1.658 1.964 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.979 3.893 0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.699 3.680 3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.058 5.917 1.639 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.920 5.813 2.855 1.00 0.00 H new ATOM 1024 N ASP A 63 -9.413 1.530 3.207 1.00 0.00 N ATOM 1025 CA ASP A 63 -10.569 1.888 4.020 1.00 0.00 C ATOM 1026 C ASP A 63 -11.615 2.621 3.185 1.00 0.00 C ATOM 1027 O ASP A 63 -11.961 3.766 3.472 1.00 0.00 O ATOM 1028 CB ASP A 63 -10.139 2.760 5.201 1.00 0.00 C ATOM 1029 CG ASP A 63 -9.348 1.984 6.235 1.00 0.00 C ATOM 1030 OD1 ASP A 63 -9.674 0.801 6.465 1.00 0.00 O ATOM 1031 OD2 ASP A 63 -8.403 2.560 6.816 1.00 0.00 O ATOM 0 H ASP A 63 -8.591 2.113 3.364 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.013 0.968 4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.536 3.591 4.835 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.023 3.191 5.672 1.00 0.00 H new ATOM 1036 N GLY A 64 -12.113 1.953 2.149 1.00 0.00 N ATOM 1037 CA GLY A 64 -13.112 2.557 1.288 1.00 0.00 C ATOM 1038 C GLY A 64 -13.670 1.579 0.273 1.00 0.00 C ATOM 1039 O GLY A 64 -14.848 1.643 -0.078 1.00 0.00 O ATOM 0 H GLY A 64 -11.842 1.004 1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.927 2.946 1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.672 3.406 0.766 1.00 0.00 H new ATOM 1043 N GLN A 65 -12.821 0.673 -0.202 1.00 0.00 N ATOM 1044 CA GLN A 65 -13.236 -0.321 -1.185 1.00 0.00 C ATOM 1045 C GLN A 65 -12.077 -1.243 -1.549 1.00 0.00 C ATOM 1046 O GLN A 65 -10.906 -0.880 -1.442 1.00 0.00 O ATOM 1047 CB GLN A 65 -13.770 0.368 -2.443 1.00 0.00 C ATOM 1048 CG GLN A 65 -12.920 1.542 -2.901 1.00 0.00 C ATOM 1049 CD GLN A 65 -13.192 1.933 -4.340 1.00 0.00 C ATOM 1050 OE1 GLN A 65 -13.599 1.104 -5.155 1.00 0.00 O ATOM 1051 NE2 GLN A 65 -12.969 3.202 -4.661 1.00 0.00 N ATOM 0 H GLN A 65 -11.842 0.607 0.078 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.030 -0.923 -0.744 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.830 -0.363 -3.250 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -14.785 0.717 -2.253 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.111 2.398 -2.254 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.866 1.287 -2.791 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.632 3.855 -3.954 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.135 3.524 -5.615 1.00 0.00 H new ATOM 1060 N PRO A 66 -12.410 -2.466 -1.989 1.00 0.00 N ATOM 1061 CA PRO A 66 -11.411 -3.466 -2.378 1.00 0.00 C ATOM 1062 C PRO A 66 -10.687 -3.092 -3.667 1.00 0.00 C ATOM 1063 O PRO A 66 -11.051 -2.124 -4.335 1.00 0.00 O ATOM 1064 CB PRO A 66 -12.241 -4.736 -2.579 1.00 0.00 C ATOM 1065 CG PRO A 66 -13.609 -4.247 -2.909 1.00 0.00 C ATOM 1066 CD PRO A 66 -13.786 -2.966 -2.141 1.00 0.00 C ATOM 0 HA PRO A 66 -10.624 -3.568 -1.631 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.836 -5.351 -3.383 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.247 -5.351 -1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.715 -4.078 -3.981 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.365 -4.980 -2.626 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.414 -2.257 -2.681 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.260 -3.139 -1.175 1.00 0.00 H new ATOM 1074 N ILE A 67 -9.662 -3.864 -4.009 1.00 0.00 N ATOM 1075 CA ILE A 67 -8.889 -3.614 -5.219 1.00 0.00 C ATOM 1076 C ILE A 67 -8.557 -4.917 -5.939 1.00 0.00 C ATOM 1077 O ILE A 67 -8.229 -5.921 -5.308 1.00 0.00 O ATOM 1078 CB ILE A 67 -7.579 -2.866 -4.906 1.00 0.00 C ATOM 1079 CG1 ILE A 67 -7.854 -1.679 -3.981 1.00 0.00 C ATOM 1080 CG2 ILE A 67 -6.915 -2.400 -6.193 1.00 0.00 C ATOM 1081 CD1 ILE A 67 -6.608 -0.912 -3.596 1.00 0.00 C ATOM 0 H ILE A 67 -9.347 -4.668 -3.466 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.508 -2.992 -5.865 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.899 -3.549 -4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.552 -1.000 -4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.343 -2.040 -3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.991 -1.873 -5.956 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.690 -3.263 -6.820 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.588 -1.729 -6.727 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.878 -0.085 -2.940 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.918 -1.577 -3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.129 -0.521 -4.494 1.00 0.00 H new ATOM 1093 N ASN A 68 -8.643 -4.893 -7.265 1.00 0.00 N ATOM 1094 CA ASN A 68 -8.351 -6.072 -8.072 1.00 0.00 C ATOM 1095 C ASN A 68 -6.913 -6.041 -8.580 1.00 0.00 C ATOM 1096 O ASN A 68 -6.631 -6.460 -9.702 1.00 0.00 O ATOM 1097 CB ASN A 68 -9.319 -6.160 -9.254 1.00 0.00 C ATOM 1098 CG ASN A 68 -10.663 -6.740 -8.858 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -10.761 -7.513 -7.905 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -11.706 -6.369 -9.591 1.00 0.00 N ATOM 0 H ASN A 68 -8.913 -4.070 -7.804 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.476 -6.952 -7.442 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.465 -5.165 -9.675 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.877 -6.776 -10.037 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.636 -6.727 -9.373 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.577 -5.726 -10.372 1.00 0.00 H new ATOM 1107 N GLU A 69 -6.007 -5.541 -7.745 1.00 0.00 N ATOM 1108 CA GLU A 69 -4.597 -5.455 -8.111 1.00 0.00 C ATOM 1109 C GLU A 69 -4.437 -4.997 -9.557 1.00 0.00 C ATOM 1110 O GLU A 69 -3.541 -5.451 -10.270 1.00 0.00 O ATOM 1111 CB GLU A 69 -3.913 -6.809 -7.914 1.00 0.00 C ATOM 1112 CG GLU A 69 -4.408 -7.885 -8.867 1.00 0.00 C ATOM 1113 CD GLU A 69 -3.442 -9.047 -8.987 1.00 0.00 C ATOM 1114 OE1 GLU A 69 -2.240 -8.852 -8.708 1.00 0.00 O ATOM 1115 OE2 GLU A 69 -3.887 -10.153 -9.360 1.00 0.00 O ATOM 0 H GLU A 69 -6.223 -5.190 -6.812 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.124 -4.719 -7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.838 -6.686 -8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.073 -7.142 -6.889 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.374 -8.254 -8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.568 -7.447 -9.852 1.00 0.00 H new ATOM 1122 N THR A 70 -5.313 -4.094 -9.986 1.00 0.00 N ATOM 1123 CA THR A 70 -5.272 -3.575 -11.348 1.00 0.00 C ATOM 1124 C THR A 70 -5.419 -2.058 -11.363 1.00 0.00 C ATOM 1125 O THR A 70 -4.740 -1.366 -12.122 1.00 0.00 O ATOM 1126 CB THR A 70 -6.380 -4.195 -12.220 1.00 0.00 C ATOM 1127 OG1 THR A 70 -6.414 -3.552 -13.499 1.00 0.00 O ATOM 1128 CG2 THR A 70 -7.736 -4.065 -11.544 1.00 0.00 C ATOM 0 H THR A 70 -6.060 -3.707 -9.410 1.00 0.00 H new ATOM 0 HA THR A 70 -4.300 -3.848 -11.760 1.00 0.00 H new ATOM 0 HB THR A 70 -6.158 -5.254 -12.353 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.120 -3.953 -14.048 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.503 -4.510 -12.178 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.715 -4.581 -10.584 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.963 -3.011 -11.385 1.00 0.00 H new ATOM 1136 N ASP A 71 -6.309 -1.546 -10.520 1.00 0.00 N ATOM 1137 CA ASP A 71 -6.544 -0.109 -10.435 1.00 0.00 C ATOM 1138 C ASP A 71 -5.291 0.619 -9.959 1.00 0.00 C ATOM 1139 O ASP A 71 -4.597 0.156 -9.053 1.00 0.00 O ATOM 1140 CB ASP A 71 -7.709 0.183 -9.489 1.00 0.00 C ATOM 1141 CG ASP A 71 -9.043 0.227 -10.209 1.00 0.00 C ATOM 1142 OD1 ASP A 71 -9.255 1.163 -11.008 1.00 0.00 O ATOM 1143 OD2 ASP A 71 -9.873 -0.675 -9.974 1.00 0.00 O ATOM 0 H ASP A 71 -6.880 -2.105 -9.886 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.796 0.253 -11.432 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -7.743 -0.582 -8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -7.537 1.137 -8.990 1.00 0.00 H new ATOM 1148 N THR A 72 -5.005 1.761 -10.576 1.00 0.00 N ATOM 1149 CA THR A 72 -3.835 2.552 -10.218 1.00 0.00 C ATOM 1150 C THR A 72 -4.174 3.580 -9.144 1.00 0.00 C ATOM 1151 O THR A 72 -5.328 3.971 -8.967 1.00 0.00 O ATOM 1152 CB THR A 72 -3.253 3.281 -11.443 1.00 0.00 C ATOM 1153 OG1 THR A 72 -4.313 3.765 -12.275 1.00 0.00 O ATOM 1154 CG2 THR A 72 -2.354 2.353 -12.247 1.00 0.00 C ATOM 0 H THR A 72 -5.569 2.159 -11.327 1.00 0.00 H new ATOM 0 HA THR A 72 -3.091 1.857 -9.830 1.00 0.00 H new ATOM 0 HB THR A 72 -2.657 4.122 -11.089 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.934 4.229 -13.051 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.954 2.889 -13.108 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.532 2.009 -11.619 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.931 1.495 -12.591 1.00 0.00 H new ATOM 1162 N PRO A 73 -3.147 4.029 -8.408 1.00 0.00 N ATOM 1163 CA PRO A 73 -3.311 5.019 -7.340 1.00 0.00 C ATOM 1164 C PRO A 73 -3.658 6.403 -7.879 1.00 0.00 C ATOM 1165 O PRO A 73 -3.981 7.313 -7.117 1.00 0.00 O ATOM 1166 CB PRO A 73 -1.940 5.038 -6.660 1.00 0.00 C ATOM 1167 CG PRO A 73 -0.988 4.589 -7.714 1.00 0.00 C ATOM 1168 CD PRO A 73 -1.745 3.606 -8.564 1.00 0.00 C ATOM 0 HA PRO A 73 -4.131 4.762 -6.669 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.690 6.036 -6.300 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.917 4.373 -5.797 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.639 5.432 -8.310 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.107 4.125 -7.272 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.427 3.647 -9.606 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.594 2.581 -8.224 1.00 0.00 H new ATOM 1176 N ALA A 74 -3.589 6.553 -9.198 1.00 0.00 N ATOM 1177 CA ALA A 74 -3.898 7.825 -9.839 1.00 0.00 C ATOM 1178 C ALA A 74 -5.404 8.045 -9.925 1.00 0.00 C ATOM 1179 O ALA A 74 -5.895 9.144 -9.670 1.00 0.00 O ATOM 1180 CB ALA A 74 -3.274 7.883 -11.225 1.00 0.00 C ATOM 0 H ALA A 74 -3.322 5.809 -9.843 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.475 8.623 -9.229 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.513 8.838 -11.692 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.192 7.780 -11.141 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.669 7.072 -11.836 1.00 0.00 H new ATOM 1186 N GLN A 75 -6.131 6.992 -10.287 1.00 0.00 N ATOM 1187 CA GLN A 75 -7.582 7.072 -10.408 1.00 0.00 C ATOM 1188 C GLN A 75 -8.264 6.532 -9.155 1.00 0.00 C ATOM 1189 O GLN A 75 -9.459 6.234 -9.164 1.00 0.00 O ATOM 1190 CB GLN A 75 -8.056 6.294 -11.636 1.00 0.00 C ATOM 1191 CG GLN A 75 -7.321 6.666 -12.913 1.00 0.00 C ATOM 1192 CD GLN A 75 -7.877 5.961 -14.134 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -8.571 4.950 -14.019 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -7.575 6.490 -15.314 1.00 0.00 N ATOM 0 H GLN A 75 -5.739 6.075 -10.501 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.854 8.121 -10.524 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.929 5.227 -11.451 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.123 6.468 -11.777 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.382 7.744 -13.062 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.265 6.418 -12.805 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -6.997 7.329 -15.364 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.921 6.058 -16.170 1.00 0.00 H new ATOM 1203 N LEU A 76 -7.496 6.407 -8.077 1.00 0.00 N ATOM 1204 CA LEU A 76 -8.026 5.901 -6.816 1.00 0.00 C ATOM 1205 C LEU A 76 -7.819 6.914 -5.694 1.00 0.00 C ATOM 1206 O LEU A 76 -8.332 6.743 -4.589 1.00 0.00 O ATOM 1207 CB LEU A 76 -7.353 4.576 -6.452 1.00 0.00 C ATOM 1208 CG LEU A 76 -8.063 3.310 -6.932 1.00 0.00 C ATOM 1209 CD1 LEU A 76 -7.263 2.073 -6.552 1.00 0.00 C ATOM 1210 CD2 LEU A 76 -9.469 3.235 -6.356 1.00 0.00 C ATOM 0 H LEU A 76 -6.505 6.649 -8.052 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.096 5.736 -6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.343 4.580 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.257 4.526 -5.367 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.139 3.350 -8.019 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.784 1.181 -6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.277 2.122 -7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.155 2.028 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.959 2.327 -6.709 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.416 3.219 -5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.041 4.105 -6.679 1.00 0.00 H new ATOM 1222 N GLU A 77 -7.066 7.970 -5.988 1.00 0.00 N ATOM 1223 CA GLU A 77 -6.794 9.010 -5.003 1.00 0.00 C ATOM 1224 C GLU A 77 -6.283 8.405 -3.699 1.00 0.00 C ATOM 1225 O GLU A 77 -6.804 8.696 -2.622 1.00 0.00 O ATOM 1226 CB GLU A 77 -8.055 9.834 -4.737 1.00 0.00 C ATOM 1227 CG GLU A 77 -8.792 10.245 -6.001 1.00 0.00 C ATOM 1228 CD GLU A 77 -9.668 11.466 -5.795 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -9.186 12.444 -5.186 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -10.833 11.443 -6.242 1.00 0.00 O ATOM 0 H GLU A 77 -6.634 8.127 -6.899 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.021 9.663 -5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.729 9.256 -4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.783 10.729 -4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.067 10.451 -6.789 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.408 9.414 -6.344 1.00 0.00 H new ATOM 1237 N MET A 78 -5.261 7.562 -3.804 1.00 0.00 N ATOM 1238 CA MET A 78 -4.680 6.917 -2.633 1.00 0.00 C ATOM 1239 C MET A 78 -3.204 7.276 -2.491 1.00 0.00 C ATOM 1240 O MET A 78 -2.329 6.440 -2.714 1.00 0.00 O ATOM 1241 CB MET A 78 -4.840 5.398 -2.730 1.00 0.00 C ATOM 1242 CG MET A 78 -4.352 4.818 -4.047 1.00 0.00 C ATOM 1243 SD MET A 78 -4.927 3.130 -4.318 1.00 0.00 S ATOM 1244 CE MET A 78 -3.847 2.224 -3.214 1.00 0.00 C ATOM 0 H MET A 78 -4.818 7.310 -4.688 1.00 0.00 H new ATOM 0 HA MET A 78 -5.210 7.276 -1.751 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.293 4.930 -1.912 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.891 5.143 -2.597 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.694 5.450 -4.867 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.262 4.834 -4.065 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.361 1.334 -2.852 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.944 1.929 -3.749 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.577 2.857 -2.368 1.00 0.00 H new ATOM 1254 N GLU A 79 -2.937 8.524 -2.120 1.00 0.00 N ATOM 1255 CA GLU A 79 -1.566 8.993 -1.949 1.00 0.00 C ATOM 1256 C GLU A 79 -1.396 9.700 -0.608 1.00 0.00 C ATOM 1257 O GLU A 79 -2.268 9.629 0.258 1.00 0.00 O ATOM 1258 CB GLU A 79 -1.181 9.938 -3.090 1.00 0.00 C ATOM 1259 CG GLU A 79 -1.829 9.584 -4.418 1.00 0.00 C ATOM 1260 CD GLU A 79 -1.513 10.590 -5.507 1.00 0.00 C ATOM 1261 OE1 GLU A 79 -0.990 11.676 -5.177 1.00 0.00 O ATOM 1262 OE2 GLU A 79 -1.788 10.293 -6.688 1.00 0.00 O ATOM 0 H GLU A 79 -3.651 9.228 -1.932 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.907 8.125 -1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.462 10.956 -2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.098 9.927 -3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.491 8.596 -4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.909 9.524 -4.286 1.00 0.00 H new ATOM 1269 N ASP A 80 -0.267 10.382 -0.445 1.00 0.00 N ATOM 1270 CA ASP A 80 0.018 11.103 0.790 1.00 0.00 C ATOM 1271 C ASP A 80 0.168 10.138 1.961 1.00 0.00 C ATOM 1272 O ASP A 80 -0.380 10.365 3.039 1.00 0.00 O ATOM 1273 CB ASP A 80 -1.092 12.113 1.084 1.00 0.00 C ATOM 1274 CG ASP A 80 -0.582 13.338 1.817 1.00 0.00 C ATOM 1275 OD1 ASP A 80 -0.115 14.280 1.144 1.00 0.00 O ATOM 1276 OD2 ASP A 80 -0.648 13.355 3.064 1.00 0.00 O ATOM 0 H ASP A 80 0.465 10.450 -1.152 1.00 0.00 H new ATOM 0 HA ASP A 80 0.959 11.637 0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.556 12.421 0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.867 11.633 1.681 1.00 0.00 H new ATOM 1281 N GLU A 81 0.914 9.059 1.741 1.00 0.00 N ATOM 1282 CA GLU A 81 1.133 8.058 2.778 1.00 0.00 C ATOM 1283 C GLU A 81 -0.176 7.376 3.162 1.00 0.00 C ATOM 1284 O GLU A 81 -0.843 7.779 4.115 1.00 0.00 O ATOM 1285 CB GLU A 81 1.766 8.702 4.013 1.00 0.00 C ATOM 1286 CG GLU A 81 2.964 9.581 3.695 1.00 0.00 C ATOM 1287 CD GLU A 81 3.605 10.167 4.939 1.00 0.00 C ATOM 1288 OE1 GLU A 81 4.122 9.384 5.763 1.00 0.00 O ATOM 1289 OE2 GLU A 81 3.589 11.406 5.088 1.00 0.00 O ATOM 0 H GLU A 81 1.376 8.856 0.855 1.00 0.00 H new ATOM 0 HA GLU A 81 1.812 7.304 2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.013 9.300 4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.075 7.917 4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.705 8.996 3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.651 10.391 3.036 1.00 0.00 H new ATOM 1296 N ASP A 82 -0.538 6.340 2.413 1.00 0.00 N ATOM 1297 CA ASP A 82 -1.767 5.600 2.674 1.00 0.00 C ATOM 1298 C ASP A 82 -1.467 4.274 3.366 1.00 0.00 C ATOM 1299 O ASP A 82 -0.594 3.520 2.936 1.00 0.00 O ATOM 1300 CB ASP A 82 -2.523 5.348 1.368 1.00 0.00 C ATOM 1301 CG ASP A 82 -2.439 6.523 0.414 1.00 0.00 C ATOM 1302 OD1 ASP A 82 -1.367 6.716 -0.197 1.00 0.00 O ATOM 1303 OD2 ASP A 82 -3.445 7.252 0.280 1.00 0.00 O ATOM 0 H ASP A 82 0.002 5.994 1.620 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.390 6.202 3.336 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.118 4.460 0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.569 5.140 1.592 1.00 0.00 H new ATOM 1308 N THR A 83 -2.196 3.996 4.443 1.00 0.00 N ATOM 1309 CA THR A 83 -2.006 2.763 5.196 1.00 0.00 C ATOM 1310 C THR A 83 -3.017 1.702 4.777 1.00 0.00 C ATOM 1311 O THR A 83 -4.166 1.716 5.220 1.00 0.00 O ATOM 1312 CB THR A 83 -2.133 3.006 6.712 1.00 0.00 C ATOM 1313 OG1 THR A 83 -1.326 4.125 7.098 1.00 0.00 O ATOM 1314 CG2 THR A 83 -1.708 1.773 7.495 1.00 0.00 C ATOM 0 H THR A 83 -2.923 4.608 4.813 1.00 0.00 H new ATOM 0 HA THR A 83 -0.999 2.409 4.975 1.00 0.00 H new ATOM 0 HB THR A 83 -3.178 3.217 6.938 1.00 0.00 H new ATOM 0 HG1 THR A 83 -1.413 4.274 8.063 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.806 1.968 8.563 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.343 0.931 7.220 1.00 0.00 H new ATOM 0 HG23 THR A 83 -0.670 1.535 7.264 1.00 0.00 H new ATOM 1322 N ILE A 84 -2.582 0.783 3.922 1.00 0.00 N ATOM 1323 CA ILE A 84 -3.449 -0.287 3.445 1.00 0.00 C ATOM 1324 C ILE A 84 -3.398 -1.493 4.377 1.00 0.00 C ATOM 1325 O ILE A 84 -2.343 -1.832 4.914 1.00 0.00 O ATOM 1326 CB ILE A 84 -3.061 -0.735 2.023 1.00 0.00 C ATOM 1327 CG1 ILE A 84 -3.218 0.425 1.039 1.00 0.00 C ATOM 1328 CG2 ILE A 84 -3.909 -1.922 1.592 1.00 0.00 C ATOM 1329 CD1 ILE A 84 -2.631 0.143 -0.327 1.00 0.00 C ATOM 0 H ILE A 84 -1.634 0.758 3.545 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.463 0.113 3.427 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.016 -1.043 2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.277 0.657 0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.739 1.311 1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.623 -2.227 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.751 -2.752 2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.962 -1.639 1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.779 1.009 -0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.564 -0.059 -0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.127 -0.724 -0.764 1.00 0.00 H new ATOM 1341 N ASP A 85 -4.545 -2.138 4.564 1.00 0.00 N ATOM 1342 CA ASP A 85 -4.631 -3.308 5.429 1.00 0.00 C ATOM 1343 C ASP A 85 -4.487 -4.594 4.621 1.00 0.00 C ATOM 1344 O ASP A 85 -5.166 -4.784 3.612 1.00 0.00 O ATOM 1345 CB ASP A 85 -5.960 -3.313 6.186 1.00 0.00 C ATOM 1346 CG ASP A 85 -6.095 -2.133 7.128 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -6.459 -1.036 6.655 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -5.835 -2.305 8.337 1.00 0.00 O ATOM 0 H ASP A 85 -5.427 -1.870 4.128 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.813 -3.258 6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.782 -3.299 5.471 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.048 -4.239 6.754 1.00 0.00 H new ATOM 1353 N VAL A 86 -3.598 -5.474 5.070 1.00 0.00 N ATOM 1354 CA VAL A 86 -3.365 -6.741 4.388 1.00 0.00 C ATOM 1355 C VAL A 86 -3.658 -7.922 5.308 1.00 0.00 C ATOM 1356 O VAL A 86 -3.665 -7.783 6.531 1.00 0.00 O ATOM 1357 CB VAL A 86 -1.914 -6.848 3.882 1.00 0.00 C ATOM 1358 CG1 VAL A 86 -0.984 -7.269 5.009 1.00 0.00 C ATOM 1359 CG2 VAL A 86 -1.827 -7.821 2.716 1.00 0.00 C ATOM 0 H VAL A 86 -3.027 -5.333 5.903 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.043 -6.770 3.535 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.597 -5.866 3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.036 -7.339 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.025 -6.530 5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.296 -8.240 5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.795 -7.884 2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.163 -8.806 3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.461 -7.470 1.901 1.00 0.00 H new ATOM 1369 N PHE A 87 -3.900 -9.084 4.710 1.00 0.00 N ATOM 1370 CA PHE A 87 -4.194 -10.290 5.475 1.00 0.00 C ATOM 1371 C PHE A 87 -3.144 -11.367 5.219 1.00 0.00 C ATOM 1372 O PHE A 87 -3.128 -11.991 4.158 1.00 0.00 O ATOM 1373 CB PHE A 87 -5.584 -10.820 5.116 1.00 0.00 C ATOM 1374 CG PHE A 87 -6.230 -11.606 6.222 1.00 0.00 C ATOM 1375 CD1 PHE A 87 -5.749 -12.857 6.573 1.00 0.00 C ATOM 1376 CD2 PHE A 87 -7.317 -11.092 6.910 1.00 0.00 C ATOM 1377 CE1 PHE A 87 -6.343 -13.582 7.589 1.00 0.00 C ATOM 1378 CE2 PHE A 87 -7.914 -11.812 7.928 1.00 0.00 C ATOM 1379 CZ PHE A 87 -7.425 -13.058 8.268 1.00 0.00 C ATOM 0 H PHE A 87 -3.898 -9.216 3.699 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.173 -10.033 6.534 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.228 -9.980 4.854 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.506 -11.451 4.230 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.901 -13.270 6.047 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.702 -10.118 6.648 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.961 -14.558 7.851 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.761 -11.401 8.456 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.888 -13.622 9.064 1.00 0.00 H new