USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 569 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 68 ASN : amide:sc= -0.314 X(o=-0.13,f=0.039) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0.18 USER MOD Set 2.1: A 35 LYS NZ :NH3+ -168:sc= 0.782 (180deg=-0.324) USER MOD Set 2.2: A 38 THR OG1 : rot -70:sc= -1.12! USER MOD Set 3.1: A 28 SER OG : rot 163:sc= 0 USER MOD Set 3.2: A 51 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Set 4.1: A 25 GLN : amide:sc= -0.434 X(o=-1.5,f=-1.4) USER MOD Set 4.2: A 88 GLN : amide:sc= -1.06! X(o=-1.5!,f=-1.4) USER MOD Single : A 17 HIS :FLIP no HD1:sc= -0.441 F(o=-1.1,f=-0.44) USER MOD Single : A 19 ASN : amide:sc= -0.907 K(o=-0.91,f=-2.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -135:sc= -0.105 (180deg=-0.49) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 173:sc= -0.131 (180deg=-0.218) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.327 USER MOD Single : A 48 CYS SG : rot -60:sc= -4.48! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -103:sc= -1.02 (180deg=-2.86!) USER MOD Single : A 57 GLN :FLIP amide:sc=-0.00286 F(o=-1.4,f=-0.0029) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 1.13 K(o=1.1,f=-0.014) USER MOD Single : A 78 MET CE :methyl 136:sc= -3.06! (180deg=-3.86!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -6.829 11.203 10.114 1.00 0.00 N ATOM 243 CA HIS A 17 -6.407 10.566 8.867 1.00 0.00 C ATOM 244 C HIS A 17 -7.491 9.630 8.307 1.00 0.00 C ATOM 245 O HIS A 17 -8.674 9.776 8.613 1.00 0.00 O ATOM 246 CB HIS A 17 -5.017 9.885 8.996 1.00 0.00 C ATOM 247 CG HIS A 17 -4.810 9.004 10.189 1.00 0.00 C ATOM 248 ND1 HIS A 17 -5.142 7.722 10.406 1.00 0.00 N flip ATOM 249 CD2 HIS A 17 -4.170 9.423 11.321 1.00 0.00 C flip ATOM 250 CE1 HIS A 17 -4.707 7.391 11.664 1.00 0.00 C flip ATOM 251 NE2 HIS A 17 -4.119 8.441 12.187 1.00 0.00 N flip ATOM 0 HA HIS A 17 -6.280 11.357 8.128 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.845 9.290 8.099 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.256 10.665 9.012 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.767 10.413 11.478 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.828 6.430 12.142 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.693 8.485 13.113 1.00 0.00 H new ATOM 260 N ILE A 18 -7.117 8.708 7.464 1.00 0.00 N ATOM 261 CA ILE A 18 -8.095 7.791 6.902 1.00 0.00 C ATOM 262 C ILE A 18 -7.665 6.352 7.033 1.00 0.00 C ATOM 263 O ILE A 18 -6.526 6.050 7.395 1.00 0.00 O ATOM 264 CB ILE A 18 -8.435 8.082 5.419 1.00 0.00 C ATOM 265 CG1 ILE A 18 -7.183 8.010 4.535 1.00 0.00 C ATOM 266 CG2 ILE A 18 -9.127 9.430 5.282 1.00 0.00 C ATOM 267 CD1 ILE A 18 -7.476 8.129 3.051 1.00 0.00 C ATOM 0 H ILE A 18 -6.158 8.564 7.148 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.996 7.957 7.492 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.123 7.310 5.074 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.498 8.806 4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.672 7.065 4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.357 9.616 4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.050 9.425 5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.470 10.216 5.654 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.543 8.069 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.136 7.318 2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.959 9.085 2.851 1.00 0.00 H new ATOM 279 N ASN A 19 -8.584 5.462 6.755 1.00 0.00 N ATOM 280 CA ASN A 19 -8.332 4.041 6.830 1.00 0.00 C ATOM 281 C ASN A 19 -8.167 3.491 5.433 1.00 0.00 C ATOM 282 O ASN A 19 -8.801 3.965 4.506 1.00 0.00 O ATOM 283 CB ASN A 19 -9.507 3.330 7.515 1.00 0.00 C ATOM 284 CG ASN A 19 -9.891 3.956 8.843 1.00 0.00 C ATOM 285 OD1 ASN A 19 -9.379 3.579 9.892 1.00 0.00 O ATOM 286 ND2 ASN A 19 -10.812 4.911 8.803 1.00 0.00 N ATOM 0 H ASN A 19 -9.533 5.702 6.469 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.425 3.871 7.409 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.370 3.345 6.850 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.247 2.284 7.675 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.119 5.360 9.666 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.213 5.196 7.909 1.00 0.00 H new ATOM 293 N LEU A 20 -7.303 2.532 5.270 1.00 0.00 N ATOM 294 CA LEU A 20 -7.121 1.879 3.990 1.00 0.00 C ATOM 295 C LEU A 20 -7.044 0.381 4.155 1.00 0.00 C ATOM 296 O LEU A 20 -6.802 -0.132 5.250 1.00 0.00 O ATOM 297 CB LEU A 20 -5.868 2.391 3.262 1.00 0.00 C ATOM 298 CG LEU A 20 -6.099 3.432 2.156 1.00 0.00 C ATOM 299 CD1 LEU A 20 -7.179 2.967 1.192 1.00 0.00 C ATOM 300 CD2 LEU A 20 -6.449 4.785 2.739 1.00 0.00 C ATOM 0 H LEU A 20 -6.702 2.175 6.013 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.991 2.124 3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.195 2.823 4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.354 1.536 2.824 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.167 3.538 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.325 3.720 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.875 2.027 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.112 2.820 1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.606 5.500 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.360 4.701 3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.633 5.130 3.374 1.00 0.00 H new ATOM 312 N LYS A 21 -7.274 -0.326 3.074 1.00 0.00 N ATOM 313 CA LYS A 21 -7.201 -1.764 3.054 1.00 0.00 C ATOM 314 C LYS A 21 -6.467 -2.214 1.824 1.00 0.00 C ATOM 315 O LYS A 21 -6.525 -1.570 0.779 1.00 0.00 O ATOM 316 CB LYS A 21 -8.594 -2.373 3.049 1.00 0.00 C ATOM 317 CG LYS A 21 -9.396 -2.097 4.292 1.00 0.00 C ATOM 318 CD LYS A 21 -10.854 -2.504 4.123 1.00 0.00 C ATOM 319 CE LYS A 21 -11.004 -4.003 3.901 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.427 -4.408 3.763 1.00 0.00 N ATOM 0 H LYS A 21 -7.520 0.088 2.175 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.672 -2.094 3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.141 -1.993 2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.506 -3.452 2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.962 -2.638 5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.340 -1.035 4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.418 -2.210 5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.285 -1.967 3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.456 -4.293 3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.554 -4.540 4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.483 -5.436 3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.945 -4.156 4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.851 -3.917 2.950 1.00 0.00 H new ATOM 334 N VAL A 22 -5.776 -3.307 1.930 1.00 0.00 N ATOM 335 CA VAL A 22 -5.061 -3.858 0.798 1.00 0.00 C ATOM 336 C VAL A 22 -5.470 -5.291 0.570 1.00 0.00 C ATOM 337 O VAL A 22 -5.300 -6.144 1.449 1.00 0.00 O ATOM 338 CB VAL A 22 -3.529 -3.788 0.973 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.842 -4.458 -0.187 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.065 -2.351 1.085 1.00 0.00 C ATOM 0 H VAL A 22 -5.686 -3.846 2.792 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.325 -3.249 -0.066 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.268 -4.309 1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.762 -4.402 -0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.148 -5.503 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.118 -3.955 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.982 -2.327 1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.340 -1.808 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.538 -1.882 1.948 1.00 0.00 H new ATOM 350 N ALA A 23 -6.017 -5.560 -0.594 1.00 0.00 N ATOM 351 CA ALA A 23 -6.447 -6.886 -0.938 1.00 0.00 C ATOM 352 C ALA A 23 -5.371 -7.596 -1.726 1.00 0.00 C ATOM 353 O ALA A 23 -4.978 -7.161 -2.812 1.00 0.00 O ATOM 354 CB ALA A 23 -7.746 -6.845 -1.721 1.00 0.00 C ATOM 0 H ALA A 23 -6.174 -4.864 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.626 -7.441 -0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.053 -7.861 -1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.520 -6.370 -1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.600 -6.274 -2.638 1.00 0.00 H new ATOM 360 N GLY A 24 -4.906 -8.691 -1.195 1.00 0.00 N ATOM 361 CA GLY A 24 -3.875 -9.435 -1.838 1.00 0.00 C ATOM 362 C GLY A 24 -4.444 -10.376 -2.863 1.00 0.00 C ATOM 363 O GLY A 24 -5.615 -10.754 -2.784 1.00 0.00 O ATOM 0 H GLY A 24 -5.231 -9.086 -0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.174 -8.751 -2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.312 -10.000 -1.095 1.00 0.00 H new ATOM 367 N GLN A 25 -3.629 -10.780 -3.815 1.00 0.00 N ATOM 368 CA GLN A 25 -4.073 -11.684 -4.876 1.00 0.00 C ATOM 369 C GLN A 25 -4.466 -13.051 -4.315 1.00 0.00 C ATOM 370 O GLN A 25 -5.152 -13.835 -4.967 1.00 0.00 O ATOM 371 CB GLN A 25 -2.988 -11.820 -5.960 1.00 0.00 C ATOM 372 CG GLN A 25 -1.624 -12.268 -5.444 1.00 0.00 C ATOM 373 CD GLN A 25 -1.549 -13.758 -5.169 1.00 0.00 C ATOM 374 OE1 GLN A 25 -2.195 -14.557 -5.839 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.773 -14.137 -4.181 1.00 0.00 N ATOM 0 H GLN A 25 -2.651 -10.500 -3.883 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.962 -11.253 -5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.330 -12.534 -6.710 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.874 -10.860 -6.463 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.861 -12.001 -6.175 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.393 -11.724 -4.528 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.251 -13.442 -3.647 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.691 -15.127 -3.947 1.00 0.00 H new ATOM 384 N ASP A 26 -4.043 -13.323 -3.088 1.00 0.00 N ATOM 385 CA ASP A 26 -4.325 -14.595 -2.444 1.00 0.00 C ATOM 386 C ASP A 26 -5.717 -14.590 -1.812 1.00 0.00 C ATOM 387 O ASP A 26 -6.233 -15.628 -1.404 1.00 0.00 O ATOM 388 CB ASP A 26 -3.256 -14.909 -1.397 1.00 0.00 C ATOM 389 CG ASP A 26 -3.305 -16.348 -0.932 1.00 0.00 C ATOM 390 OD1 ASP A 26 -3.033 -17.249 -1.753 1.00 0.00 O ATOM 391 OD2 ASP A 26 -3.594 -16.588 0.256 1.00 0.00 O ATOM 0 H ASP A 26 -3.500 -12.675 -2.517 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.305 -15.376 -3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.271 -14.699 -1.814 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.387 -14.249 -0.540 1.00 0.00 H new ATOM 396 N GLY A 27 -6.333 -13.416 -1.743 1.00 0.00 N ATOM 397 CA GLY A 27 -7.675 -13.312 -1.190 1.00 0.00 C ATOM 398 C GLY A 27 -7.698 -12.798 0.240 1.00 0.00 C ATOM 399 O GLY A 27 -8.711 -12.902 0.931 1.00 0.00 O ATOM 0 H GLY A 27 -5.930 -12.534 -2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.268 -12.647 -1.817 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.151 -14.292 -1.224 1.00 0.00 H new ATOM 403 N SER A 28 -6.592 -12.242 0.689 1.00 0.00 N ATOM 404 CA SER A 28 -6.500 -11.710 2.030 1.00 0.00 C ATOM 405 C SER A 28 -6.538 -10.208 1.977 1.00 0.00 C ATOM 406 O SER A 28 -6.202 -9.608 0.963 1.00 0.00 O ATOM 407 CB SER A 28 -5.208 -12.188 2.709 1.00 0.00 C ATOM 408 OG SER A 28 -5.072 -11.660 4.018 1.00 0.00 O ATOM 0 H SER A 28 -5.738 -12.147 0.139 1.00 0.00 H new ATOM 0 HA SER A 28 -7.346 -12.070 2.616 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.203 -13.277 2.755 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.350 -11.890 2.107 1.00 0.00 H new ATOM 0 HG SER A 28 -4.406 -12.181 4.514 1.00 0.00 H new ATOM 414 N VAL A 29 -6.950 -9.595 3.047 1.00 0.00 N ATOM 415 CA VAL A 29 -7.013 -8.160 3.088 1.00 0.00 C ATOM 416 C VAL A 29 -6.575 -7.634 4.449 1.00 0.00 C ATOM 417 O VAL A 29 -6.963 -8.159 5.496 1.00 0.00 O ATOM 418 CB VAL A 29 -8.433 -7.623 2.727 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.441 -7.912 3.828 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.391 -6.135 2.418 1.00 0.00 C ATOM 0 H VAL A 29 -7.248 -10.063 3.903 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.321 -7.790 2.331 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.760 -8.152 1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.417 -7.523 3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.511 -8.989 3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.118 -7.432 4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.393 -5.787 2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.024 -5.593 3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.726 -5.957 1.573 1.00 0.00 H new ATOM 430 N VAL A 30 -5.740 -6.625 4.436 1.00 0.00 N ATOM 431 CA VAL A 30 -5.266 -6.013 5.660 1.00 0.00 C ATOM 432 C VAL A 30 -5.914 -4.654 5.845 1.00 0.00 C ATOM 433 O VAL A 30 -6.070 -3.899 4.885 1.00 0.00 O ATOM 434 CB VAL A 30 -3.724 -5.854 5.650 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.236 -5.152 6.910 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.059 -7.209 5.508 1.00 0.00 C ATOM 0 H VAL A 30 -5.369 -6.204 3.584 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.539 -6.667 6.488 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.452 -5.236 4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.151 -5.055 6.875 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.687 -4.162 6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.520 -5.736 7.785 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.976 -7.084 5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.346 -7.845 6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.376 -7.674 4.574 1.00 0.00 H new ATOM 446 N GLN A 31 -6.311 -4.346 7.068 1.00 0.00 N ATOM 447 CA GLN A 31 -6.943 -3.080 7.373 1.00 0.00 C ATOM 448 C GLN A 31 -6.002 -2.228 8.207 1.00 0.00 C ATOM 449 O GLN A 31 -5.427 -2.697 9.191 1.00 0.00 O ATOM 450 CB GLN A 31 -8.234 -3.322 8.118 1.00 0.00 C ATOM 451 CG GLN A 31 -9.019 -4.484 7.552 1.00 0.00 C ATOM 452 CD GLN A 31 -10.361 -4.640 8.190 1.00 0.00 C ATOM 453 OE1 GLN A 31 -10.511 -5.338 9.190 1.00 0.00 O ATOM 454 NE2 GLN A 31 -11.346 -3.992 7.624 1.00 0.00 N ATOM 0 H GLN A 31 -6.204 -4.965 7.872 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.167 -2.552 6.446 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.014 -3.514 9.168 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.846 -2.421 8.080 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.146 -4.343 6.479 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.448 -5.403 7.687 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.173 -3.424 6.794 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.287 -4.054 8.012 1.00 0.00 H new ATOM 463 N PHE A 32 -5.841 -0.989 7.816 1.00 0.00 N ATOM 464 CA PHE A 32 -4.887 -0.099 8.463 1.00 0.00 C ATOM 465 C PHE A 32 -5.259 1.359 8.278 1.00 0.00 C ATOM 466 O PHE A 32 -6.159 1.693 7.525 1.00 0.00 O ATOM 467 CB PHE A 32 -3.474 -0.347 7.933 1.00 0.00 C ATOM 468 CG PHE A 32 -3.372 -0.292 6.431 1.00 0.00 C ATOM 469 CD1 PHE A 32 -3.899 -1.311 5.648 1.00 0.00 C ATOM 470 CD2 PHE A 32 -2.772 0.781 5.802 1.00 0.00 C ATOM 471 CE1 PHE A 32 -3.830 -1.257 4.282 1.00 0.00 C ATOM 472 CE2 PHE A 32 -2.700 0.839 4.437 1.00 0.00 C ATOM 473 CZ PHE A 32 -3.230 -0.178 3.673 1.00 0.00 C ATOM 0 H PHE A 32 -6.359 -0.563 7.047 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.914 -0.319 9.530 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.800 0.394 8.361 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.133 -1.324 8.276 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.370 -2.158 6.124 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.355 1.583 6.394 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.244 -2.056 3.685 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.227 1.683 3.957 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.175 -0.129 2.596 1.00 0.00 H new ATOM 483 N LYS A 33 -4.575 2.218 8.992 1.00 0.00 N ATOM 484 CA LYS A 33 -4.827 3.635 8.923 1.00 0.00 C ATOM 485 C LYS A 33 -3.613 4.372 8.381 1.00 0.00 C ATOM 486 O LYS A 33 -2.474 4.063 8.732 1.00 0.00 O ATOM 487 CB LYS A 33 -5.215 4.161 10.292 1.00 0.00 C ATOM 488 CG LYS A 33 -6.357 3.385 10.910 1.00 0.00 C ATOM 489 CD LYS A 33 -6.879 4.045 12.176 1.00 0.00 C ATOM 490 CE LYS A 33 -5.870 3.949 13.302 1.00 0.00 C ATOM 491 NZ LYS A 33 -5.557 2.534 13.639 1.00 0.00 N ATOM 0 H LYS A 33 -3.829 1.955 9.636 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.656 3.810 8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.350 4.116 10.953 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.497 5.210 10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.168 3.297 10.187 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.024 2.373 11.140 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.106 5.092 11.976 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.812 3.569 12.479 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.954 4.466 13.016 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.260 4.456 14.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.562 2.414 14.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.272 1.910 13.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.618 2.288 13.266 1.00 0.00 H new ATOM 505 N ILE A 34 -3.853 5.338 7.516 1.00 0.00 N ATOM 506 CA ILE A 34 -2.787 6.111 6.910 1.00 0.00 C ATOM 507 C ILE A 34 -3.225 7.565 6.740 1.00 0.00 C ATOM 508 O ILE A 34 -4.415 7.860 6.599 1.00 0.00 O ATOM 509 CB ILE A 34 -2.362 5.503 5.538 1.00 0.00 C ATOM 510 CG1 ILE A 34 -1.195 6.287 4.926 1.00 0.00 C ATOM 511 CG2 ILE A 34 -3.543 5.460 4.580 1.00 0.00 C ATOM 512 CD1 ILE A 34 -0.646 5.680 3.650 1.00 0.00 C ATOM 0 H ILE A 34 -4.789 5.608 7.214 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.921 6.078 7.572 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.025 4.481 5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.524 7.306 4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.391 6.354 5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.225 5.033 3.629 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.336 4.846 5.007 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.916 6.471 4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.176 6.293 3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.285 4.672 3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.434 5.638 2.898 1.00 0.00 H new ATOM 524 N LYS A 35 -2.278 8.482 6.785 1.00 0.00 N ATOM 525 CA LYS A 35 -2.586 9.896 6.665 1.00 0.00 C ATOM 526 C LYS A 35 -2.637 10.324 5.222 1.00 0.00 C ATOM 527 O LYS A 35 -2.060 9.684 4.351 1.00 0.00 O ATOM 528 CB LYS A 35 -1.575 10.731 7.433 1.00 0.00 C ATOM 529 CG LYS A 35 -1.306 10.187 8.815 1.00 0.00 C ATOM 530 CD LYS A 35 -0.812 11.264 9.772 1.00 0.00 C ATOM 531 CE LYS A 35 0.560 11.789 9.381 1.00 0.00 C ATOM 532 NZ LYS A 35 1.589 10.717 9.389 1.00 0.00 N ATOM 0 H LYS A 35 -1.287 8.274 6.904 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.573 10.060 7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.641 10.770 6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.941 11.755 7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.218 9.741 9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.564 9.391 8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.524 12.089 9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.770 10.859 10.783 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.508 12.234 8.388 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.855 12.580 10.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.535 11.143 9.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.519 10.175 10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.435 10.082 8.580 1.00 0.00 H new ATOM 546 N ARG A 36 -3.320 11.425 4.971 1.00 0.00 N ATOM 547 CA ARG A 36 -3.491 11.942 3.619 1.00 0.00 C ATOM 548 C ARG A 36 -2.153 12.330 3.022 1.00 0.00 C ATOM 549 O ARG A 36 -1.891 12.106 1.844 1.00 0.00 O ATOM 550 CB ARG A 36 -4.419 13.162 3.615 1.00 0.00 C ATOM 551 CG ARG A 36 -5.727 12.980 4.375 1.00 0.00 C ATOM 552 CD ARG A 36 -6.443 11.687 3.998 1.00 0.00 C ATOM 553 NE ARG A 36 -6.526 11.480 2.539 1.00 0.00 N ATOM 554 CZ ARG A 36 -7.202 12.265 1.674 1.00 0.00 C ATOM 555 NH1 ARG A 36 -7.921 13.299 2.112 1.00 0.00 N ATOM 556 NH2 ARG A 36 -7.171 11.989 0.374 1.00 0.00 N ATOM 0 H ARG A 36 -3.772 11.987 5.693 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.939 11.151 3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.883 14.009 4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.650 13.420 2.582 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.525 12.981 5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.382 13.827 4.173 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.921 10.844 4.450 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.450 11.700 4.416 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.031 10.676 2.152 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.964 13.504 3.110 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.428 13.885 1.449 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.638 11.188 0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.680 12.578 -0.285 1.00 0.00 H new ATOM 570 N HIS A 37 -1.295 12.894 3.850 1.00 0.00 N ATOM 571 CA HIS A 37 0.013 13.358 3.409 1.00 0.00 C ATOM 572 C HIS A 37 1.075 12.310 3.663 1.00 0.00 C ATOM 573 O HIS A 37 2.267 12.565 3.523 1.00 0.00 O ATOM 574 CB HIS A 37 0.379 14.652 4.121 1.00 0.00 C ATOM 575 CG HIS A 37 -0.389 15.842 3.639 1.00 0.00 C ATOM 576 ND1 HIS A 37 0.124 16.756 2.749 1.00 0.00 N ATOM 577 CD2 HIS A 37 -1.644 16.266 3.926 1.00 0.00 C ATOM 578 CE1 HIS A 37 -0.777 17.687 2.509 1.00 0.00 C ATOM 579 NE2 HIS A 37 -1.860 17.414 3.211 1.00 0.00 N ATOM 0 H HIS A 37 -1.480 13.044 4.842 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.037 13.542 2.336 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.208 14.529 5.190 1.00 0.00 H new ATOM 0 HB3 HIS A 37 1.444 14.840 3.989 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.344 15.787 4.595 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.650 18.532 1.848 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.717 17.967 3.220 1.00 0.00 H new ATOM 588 N THR A 38 0.648 11.133 4.036 1.00 0.00 N ATOM 589 CA THR A 38 1.554 10.057 4.292 1.00 0.00 C ATOM 590 C THR A 38 1.725 9.198 3.043 1.00 0.00 C ATOM 591 O THR A 38 0.747 8.775 2.435 1.00 0.00 O ATOM 592 CB THR A 38 1.088 9.208 5.492 1.00 0.00 C ATOM 593 OG1 THR A 38 1.278 9.957 6.700 1.00 0.00 O ATOM 594 CG2 THR A 38 1.865 7.908 5.569 1.00 0.00 C ATOM 0 H THR A 38 -0.336 10.898 4.169 1.00 0.00 H new ATOM 0 HA THR A 38 2.524 10.482 4.551 1.00 0.00 H new ATOM 0 HB THR A 38 0.033 8.968 5.364 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.237 10.039 6.887 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.518 7.327 6.423 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.709 7.336 4.654 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.927 8.125 5.685 1.00 0.00 H new ATOM 602 N PRO A 39 2.979 8.953 2.638 1.00 0.00 N ATOM 603 CA PRO A 39 3.283 8.181 1.436 1.00 0.00 C ATOM 604 C PRO A 39 2.841 6.728 1.537 1.00 0.00 C ATOM 605 O PRO A 39 2.822 6.132 2.623 1.00 0.00 O ATOM 606 CB PRO A 39 4.807 8.255 1.332 1.00 0.00 C ATOM 607 CG PRO A 39 5.274 8.575 2.707 1.00 0.00 C ATOM 608 CD PRO A 39 4.196 9.405 3.328 1.00 0.00 C ATOM 0 HA PRO A 39 2.757 8.580 0.569 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.225 7.310 0.984 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.117 9.022 0.622 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.445 7.665 3.282 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.218 9.119 2.681 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.132 9.242 4.404 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.372 10.470 3.177 1.00 0.00 H new ATOM 616 N LEU A 40 2.492 6.154 0.398 1.00 0.00 N ATOM 617 CA LEU A 40 2.073 4.765 0.303 1.00 0.00 C ATOM 618 C LEU A 40 3.195 3.802 0.687 1.00 0.00 C ATOM 619 O LEU A 40 2.964 2.613 0.840 1.00 0.00 O ATOM 620 CB LEU A 40 1.582 4.466 -1.115 1.00 0.00 C ATOM 621 CG LEU A 40 0.317 5.206 -1.542 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.083 5.047 -3.027 1.00 0.00 C ATOM 623 CD2 LEU A 40 -0.887 4.715 -0.765 1.00 0.00 C ATOM 0 H LEU A 40 2.491 6.644 -0.497 1.00 0.00 H new ATOM 0 HA LEU A 40 1.258 4.615 1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.380 4.711 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.401 3.394 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 40 0.457 6.264 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.823 5.582 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.932 5.455 -3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.029 3.990 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.775 5.258 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.027 3.649 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.726 4.883 0.300 1.00 0.00 H new ATOM 635 N SER A 41 4.418 4.313 0.810 1.00 0.00 N ATOM 636 CA SER A 41 5.566 3.499 1.204 1.00 0.00 C ATOM 637 C SER A 41 5.272 2.712 2.481 1.00 0.00 C ATOM 638 O SER A 41 5.535 1.507 2.560 1.00 0.00 O ATOM 639 CB SER A 41 6.803 4.385 1.393 1.00 0.00 C ATOM 640 OG SER A 41 6.515 5.491 2.238 1.00 0.00 O ATOM 0 H SER A 41 4.640 5.294 0.641 1.00 0.00 H new ATOM 0 HA SER A 41 5.764 2.782 0.407 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.614 3.796 1.823 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.149 4.744 0.424 1.00 0.00 H new ATOM 0 HG SER A 41 7.320 6.040 2.344 1.00 0.00 H new ATOM 672 N LEU A 43 2.294 2.120 3.617 1.00 0.00 N ATOM 673 CA LEU A 43 1.146 1.283 3.283 1.00 0.00 C ATOM 674 C LEU A 43 1.610 -0.030 2.647 1.00 0.00 C ATOM 675 O LEU A 43 1.194 -1.121 3.056 1.00 0.00 O ATOM 676 CB LEU A 43 0.189 2.069 2.344 1.00 0.00 C ATOM 677 CG LEU A 43 -0.924 1.271 1.643 1.00 0.00 C ATOM 678 CD1 LEU A 43 -2.106 2.170 1.327 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.410 0.664 0.349 1.00 0.00 C ATOM 0 HA LEU A 43 0.601 1.028 4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.280 2.861 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.792 2.553 1.576 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.241 0.476 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.883 1.588 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.501 2.590 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.783 2.978 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.211 0.103 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.072 1.458 -0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.422 -0.006 0.567 1.00 0.00 H new ATOM 691 N MET A 44 2.485 0.080 1.657 1.00 0.00 N ATOM 692 CA MET A 44 3.031 -1.077 0.967 1.00 0.00 C ATOM 693 C MET A 44 3.814 -1.946 1.922 1.00 0.00 C ATOM 694 O MET A 44 3.650 -3.164 1.956 1.00 0.00 O ATOM 695 CB MET A 44 3.930 -0.629 -0.186 1.00 0.00 C ATOM 696 CG MET A 44 3.179 -0.242 -1.444 1.00 0.00 C ATOM 697 SD MET A 44 4.163 0.753 -2.564 1.00 0.00 S ATOM 698 CE MET A 44 2.981 1.031 -3.870 1.00 0.00 C ATOM 0 H MET A 44 2.835 0.973 1.311 1.00 0.00 H new ATOM 0 HA MET A 44 2.202 -1.660 0.566 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.528 0.221 0.143 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.625 -1.434 -0.424 1.00 0.00 H new ATOM 0 HG2 MET A 44 2.853 -1.146 -1.959 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.280 0.310 -1.169 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.394 1.738 -4.590 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.764 0.088 -4.371 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.062 1.437 -3.448 1.00 0.00 H new ATOM 708 N LYS A 45 4.662 -1.315 2.716 1.00 0.00 N ATOM 709 CA LYS A 45 5.476 -2.026 3.678 1.00 0.00 C ATOM 710 C LYS A 45 4.605 -2.679 4.747 1.00 0.00 C ATOM 711 O LYS A 45 4.831 -3.816 5.123 1.00 0.00 O ATOM 712 CB LYS A 45 6.500 -1.078 4.313 1.00 0.00 C ATOM 713 CG LYS A 45 7.361 -1.716 5.396 1.00 0.00 C ATOM 714 CD LYS A 45 8.221 -2.859 4.865 1.00 0.00 C ATOM 715 CE LYS A 45 9.320 -2.363 3.930 1.00 0.00 C ATOM 716 NZ LYS A 45 10.338 -3.414 3.664 1.00 0.00 N ATOM 0 H LYS A 45 4.803 -0.305 2.710 1.00 0.00 H new ATOM 0 HA LYS A 45 6.016 -2.816 3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.151 -0.689 3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.972 -0.226 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.006 -0.956 5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.718 -2.090 6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.671 -3.393 5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.589 -3.572 4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.877 -2.040 2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.805 -1.491 4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.067 -3.037 3.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.779 -3.704 4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.881 -4.236 3.221 1.00 0.00 H new ATOM 730 N ALA A 46 3.592 -1.968 5.206 1.00 0.00 N ATOM 731 CA ALA A 46 2.694 -2.485 6.230 1.00 0.00 C ATOM 732 C ALA A 46 2.039 -3.770 5.767 1.00 0.00 C ATOM 733 O ALA A 46 2.077 -4.783 6.464 1.00 0.00 O ATOM 734 CB ALA A 46 1.639 -1.456 6.611 1.00 0.00 C ATOM 0 H ALA A 46 3.367 -1.026 4.886 1.00 0.00 H new ATOM 0 HA ALA A 46 3.290 -2.699 7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.985 -1.872 7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.127 -0.561 6.997 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.049 -1.197 5.732 1.00 0.00 H new ATOM 740 N TYR A 47 1.457 -3.746 4.572 1.00 0.00 N ATOM 741 CA TYR A 47 0.829 -4.929 4.021 1.00 0.00 C ATOM 742 C TYR A 47 1.865 -6.024 3.805 1.00 0.00 C ATOM 743 O TYR A 47 1.626 -7.210 4.101 1.00 0.00 O ATOM 744 CB TYR A 47 0.133 -4.606 2.692 1.00 0.00 C ATOM 745 CG TYR A 47 -0.240 -5.842 1.896 1.00 0.00 C ATOM 746 CD1 TYR A 47 -1.404 -6.546 2.166 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.589 -6.309 0.884 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.733 -7.681 1.451 1.00 0.00 C ATOM 749 CE2 TYR A 47 0.269 -7.439 0.164 1.00 0.00 C ATOM 750 CZ TYR A 47 -0.891 -8.123 0.449 1.00 0.00 C ATOM 751 OH TYR A 47 -1.207 -9.259 -0.264 1.00 0.00 O ATOM 0 H TYR A 47 1.410 -2.921 3.973 1.00 0.00 H new ATOM 0 HA TYR A 47 0.080 -5.278 4.732 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.768 -4.026 2.893 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.789 -3.978 2.089 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.064 -6.201 2.948 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.501 -5.777 0.658 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.642 -8.219 1.674 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.925 -7.787 -0.620 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.511 -9.430 -0.932 1.00 0.00 H new ATOM 761 N CYS A 48 3.020 -5.623 3.291 1.00 0.00 N ATOM 762 CA CYS A 48 4.095 -6.547 2.989 1.00 0.00 C ATOM 763 C CYS A 48 4.553 -7.279 4.244 1.00 0.00 C ATOM 764 O CYS A 48 4.790 -8.479 4.221 1.00 0.00 O ATOM 765 CB CYS A 48 5.275 -5.804 2.326 1.00 0.00 C ATOM 766 SG CYS A 48 6.649 -5.400 3.425 1.00 0.00 S ATOM 0 H CYS A 48 3.234 -4.650 3.074 1.00 0.00 H new ATOM 0 HA CYS A 48 3.718 -7.291 2.287 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.654 -6.416 1.507 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.900 -4.880 1.886 1.00 0.00 H new ATOM 0 HG CYS A 48 6.227 -4.627 4.381 1.00 0.00 H new ATOM 772 N GLU A 49 4.629 -6.562 5.357 1.00 0.00 N ATOM 773 CA GLU A 49 5.101 -7.144 6.601 1.00 0.00 C ATOM 774 C GLU A 49 4.065 -8.075 7.203 1.00 0.00 C ATOM 775 O GLU A 49 4.405 -9.077 7.827 1.00 0.00 O ATOM 776 CB GLU A 49 5.483 -6.061 7.602 1.00 0.00 C ATOM 777 CG GLU A 49 6.534 -5.101 7.085 1.00 0.00 C ATOM 778 CD GLU A 49 7.457 -4.607 8.161 1.00 0.00 C ATOM 779 OE1 GLU A 49 7.144 -3.587 8.796 1.00 0.00 O ATOM 780 OE2 GLU A 49 8.507 -5.236 8.378 1.00 0.00 O ATOM 0 H GLU A 49 4.370 -5.578 5.422 1.00 0.00 H new ATOM 0 HA GLU A 49 5.991 -7.729 6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.590 -5.498 7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.851 -6.533 8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.120 -5.595 6.310 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.041 -4.249 6.617 1.00 0.00 H new ATOM 787 N ARG A 50 2.792 -7.749 7.015 1.00 0.00 N ATOM 788 CA ARG A 50 1.706 -8.580 7.528 1.00 0.00 C ATOM 789 C ARG A 50 1.699 -9.926 6.836 1.00 0.00 C ATOM 790 O ARG A 50 1.623 -10.970 7.474 1.00 0.00 O ATOM 791 CB ARG A 50 0.358 -7.896 7.327 1.00 0.00 C ATOM 792 CG ARG A 50 0.219 -6.553 8.023 1.00 0.00 C ATOM 793 CD ARG A 50 0.206 -6.677 9.542 1.00 0.00 C ATOM 794 NE ARG A 50 1.525 -6.986 10.117 1.00 0.00 N ATOM 795 CZ ARG A 50 2.239 -6.138 10.865 1.00 0.00 C ATOM 796 NH1 ARG A 50 1.795 -4.901 11.094 1.00 0.00 N ATOM 797 NH2 ARG A 50 3.396 -6.528 11.380 1.00 0.00 N ATOM 0 H ARG A 50 2.485 -6.916 6.512 1.00 0.00 H new ATOM 0 HA ARG A 50 1.871 -8.726 8.596 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.193 -7.755 6.259 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.428 -8.560 7.687 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.043 -5.905 7.722 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.702 -6.071 7.694 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.159 -5.744 9.972 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.499 -7.458 9.829 1.00 0.00 H new ATOM 0 HE ARG A 50 1.921 -7.908 9.933 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.906 -4.597 10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.345 -4.259 11.665 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.739 -7.472 11.205 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.943 -5.884 11.951 1.00 0.00 H new ATOM 811 N GLN A 51 1.792 -9.902 5.521 1.00 0.00 N ATOM 812 CA GLN A 51 1.801 -11.131 4.740 1.00 0.00 C ATOM 813 C GLN A 51 3.178 -11.794 4.772 1.00 0.00 C ATOM 814 O GLN A 51 3.307 -12.993 4.540 1.00 0.00 O ATOM 815 CB GLN A 51 1.368 -10.863 3.293 1.00 0.00 C ATOM 816 CG GLN A 51 -0.083 -11.241 2.990 1.00 0.00 C ATOM 817 CD GLN A 51 -1.104 -10.487 3.833 1.00 0.00 C ATOM 818 OE1 GLN A 51 -0.809 -9.246 4.168 1.00 0.00 O flip ATOM 819 NE2 GLN A 51 -2.168 -11.018 4.159 1.00 0.00 N flip ATOM 0 H GLN A 51 1.862 -9.048 4.968 1.00 0.00 H new ATOM 0 HA GLN A 51 1.084 -11.816 5.192 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.509 -9.805 3.074 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.023 -11.417 2.621 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.285 -11.052 1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.211 -12.311 3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.364 -11.980 3.883 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.853 -10.495 4.705 1.00 0.00 H new ATOM 828 N GLY A 52 4.206 -11.011 5.062 1.00 0.00 N ATOM 829 CA GLY A 52 5.554 -11.543 5.157 1.00 0.00 C ATOM 830 C GLY A 52 6.287 -11.538 3.830 1.00 0.00 C ATOM 831 O GLY A 52 7.421 -12.001 3.732 1.00 0.00 O ATOM 0 H GLY A 52 4.132 -10.009 5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.120 -10.957 5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.510 -12.563 5.538 1.00 0.00 H new ATOM 835 N LEU A 53 5.646 -11.017 2.802 1.00 0.00 N ATOM 836 CA LEU A 53 6.233 -10.967 1.469 1.00 0.00 C ATOM 837 C LEU A 53 7.054 -9.688 1.236 1.00 0.00 C ATOM 838 O LEU A 53 7.114 -8.798 2.087 1.00 0.00 O ATOM 839 CB LEU A 53 5.137 -11.131 0.396 1.00 0.00 C ATOM 840 CG LEU A 53 3.884 -10.244 0.547 1.00 0.00 C ATOM 841 CD1 LEU A 53 4.191 -8.796 0.218 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.754 -10.764 -0.326 1.00 0.00 C ATOM 0 H LEU A 53 4.709 -10.618 2.862 1.00 0.00 H new ATOM 0 HA LEU A 53 6.931 -11.800 1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.582 -10.929 -0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.818 -12.173 0.391 1.00 0.00 H new ATOM 0 HG LEU A 53 3.566 -10.288 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.288 -8.197 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.962 -8.425 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.545 -8.724 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.879 -10.126 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.068 -10.757 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.504 -11.782 -0.029 1.00 0.00 H new ATOM 854 N SER A 54 7.681 -9.608 0.074 1.00 0.00 N ATOM 855 CA SER A 54 8.501 -8.466 -0.297 1.00 0.00 C ATOM 856 C SER A 54 7.705 -7.490 -1.171 1.00 0.00 C ATOM 857 O SER A 54 6.995 -7.903 -2.089 1.00 0.00 O ATOM 858 CB SER A 54 9.737 -8.961 -1.051 1.00 0.00 C ATOM 859 OG SER A 54 10.571 -9.746 -0.211 1.00 0.00 O ATOM 0 H SER A 54 7.636 -10.335 -0.640 1.00 0.00 H new ATOM 0 HA SER A 54 8.809 -7.938 0.606 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.428 -9.550 -1.914 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.299 -8.109 -1.432 1.00 0.00 H new ATOM 0 HG SER A 54 11.352 -10.051 -0.718 1.00 0.00 H new ATOM 865 N MET A 55 7.831 -6.185 -0.899 1.00 0.00 N ATOM 866 CA MET A 55 7.109 -5.164 -1.677 1.00 0.00 C ATOM 867 C MET A 55 7.634 -5.083 -3.110 1.00 0.00 C ATOM 868 O MET A 55 6.914 -4.710 -4.029 1.00 0.00 O ATOM 869 CB MET A 55 7.179 -3.775 -1.008 1.00 0.00 C ATOM 870 CG MET A 55 8.593 -3.281 -0.721 1.00 0.00 C ATOM 871 SD MET A 55 8.704 -1.481 -0.590 1.00 0.00 S ATOM 872 CE MET A 55 7.437 -1.143 0.624 1.00 0.00 C ATOM 0 H MET A 55 8.419 -5.811 -0.154 1.00 0.00 H new ATOM 0 HA MET A 55 6.064 -5.473 -1.706 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.678 -3.051 -1.651 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.622 -3.809 -0.071 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.946 -3.729 0.208 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.259 -3.623 -1.513 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.550 -0.753 0.125 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.183 -2.063 1.150 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.805 -0.406 1.338 1.00 0.00 H new ATOM 882 N ARG A 56 8.893 -5.453 -3.300 1.00 0.00 N ATOM 883 CA ARG A 56 9.517 -5.422 -4.620 1.00 0.00 C ATOM 884 C ARG A 56 9.019 -6.585 -5.480 1.00 0.00 C ATOM 885 O ARG A 56 9.279 -6.652 -6.678 1.00 0.00 O ATOM 886 CB ARG A 56 11.044 -5.480 -4.479 1.00 0.00 C ATOM 887 CG ARG A 56 11.572 -6.807 -3.947 1.00 0.00 C ATOM 888 CD ARG A 56 12.990 -6.675 -3.409 1.00 0.00 C ATOM 889 NE ARG A 56 13.952 -6.263 -4.434 1.00 0.00 N ATOM 890 CZ ARG A 56 15.218 -5.899 -4.171 1.00 0.00 C ATOM 891 NH1 ARG A 56 15.665 -5.897 -2.916 1.00 0.00 N ATOM 892 NH2 ARG A 56 16.030 -5.543 -5.163 1.00 0.00 N ATOM 0 H ARG A 56 9.507 -5.780 -2.554 1.00 0.00 H new ATOM 0 HA ARG A 56 9.241 -4.490 -5.113 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.495 -5.286 -5.452 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.367 -4.680 -3.813 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.915 -7.169 -3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.553 -7.551 -4.743 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.999 -5.948 -2.596 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.303 -7.630 -2.986 1.00 0.00 H new ATOM 0 HE ARG A 56 13.642 -6.252 -5.406 1.00 0.00 H new ATOM 0 HH11 ARG A 56 15.046 -6.172 -2.154 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.627 -5.620 -2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.692 -5.546 -6.125 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.991 -5.267 -4.961 1.00 0.00 H new ATOM 906 N GLN A 57 8.310 -7.511 -4.853 1.00 0.00 N ATOM 907 CA GLN A 57 7.786 -8.680 -5.545 1.00 0.00 C ATOM 908 C GLN A 57 6.299 -8.530 -5.832 1.00 0.00 C ATOM 909 O GLN A 57 5.653 -9.454 -6.329 1.00 0.00 O ATOM 910 CB GLN A 57 8.021 -9.927 -4.700 1.00 0.00 C ATOM 911 CG GLN A 57 9.479 -10.161 -4.354 1.00 0.00 C ATOM 912 CD GLN A 57 10.317 -10.514 -5.560 1.00 0.00 C ATOM 913 OE1 GLN A 57 10.841 -9.505 -6.221 1.00 0.00 O flip ATOM 914 NE2 GLN A 57 10.484 -11.685 -5.899 1.00 0.00 N flip ATOM 0 H GLN A 57 8.083 -7.475 -3.859 1.00 0.00 H new ATOM 0 HA GLN A 57 8.310 -8.774 -6.496 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.446 -9.844 -3.778 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.640 -10.796 -5.236 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.885 -9.265 -3.885 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.549 -10.964 -3.621 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.059 -12.438 -5.358 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.047 -11.903 -6.721 1.00 0.00 H new ATOM 923 N ILE A 58 5.752 -7.369 -5.535 1.00 0.00 N ATOM 924 CA ILE A 58 4.335 -7.134 -5.721 1.00 0.00 C ATOM 925 C ILE A 58 4.084 -5.751 -6.295 1.00 0.00 C ATOM 926 O ILE A 58 5.012 -4.962 -6.485 1.00 0.00 O ATOM 927 CB ILE A 58 3.550 -7.276 -4.393 1.00 0.00 C ATOM 928 CG1 ILE A 58 4.168 -6.397 -3.315 1.00 0.00 C ATOM 929 CG2 ILE A 58 3.526 -8.718 -3.939 1.00 0.00 C ATOM 930 CD1 ILE A 58 3.344 -6.313 -2.049 1.00 0.00 C ATOM 0 H ILE A 58 6.269 -6.572 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 58 3.982 -7.891 -6.421 1.00 0.00 H new ATOM 0 HB ILE A 58 2.524 -6.951 -4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.157 -6.782 -3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.307 -5.392 -3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.970 -8.796 -3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.044 -9.331 -4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.547 -9.068 -3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.849 -5.669 -1.328 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.363 -5.899 -2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.226 -7.310 -1.625 1.00 0.00 H new ATOM 942 N ARG A 59 2.825 -5.458 -6.569 1.00 0.00 N ATOM 943 CA ARG A 59 2.426 -4.170 -7.101 1.00 0.00 C ATOM 944 C ARG A 59 1.055 -3.786 -6.594 1.00 0.00 C ATOM 945 O ARG A 59 0.199 -4.652 -6.347 1.00 0.00 O ATOM 946 CB ARG A 59 2.453 -4.158 -8.630 1.00 0.00 C ATOM 947 CG ARG A 59 3.841 -3.971 -9.227 1.00 0.00 C ATOM 948 CD ARG A 59 4.440 -2.628 -8.825 1.00 0.00 C ATOM 949 NE ARG A 59 3.682 -1.499 -9.364 1.00 0.00 N ATOM 950 CZ ARG A 59 3.770 -0.244 -8.912 1.00 0.00 C ATOM 951 NH1 ARG A 59 4.581 0.048 -7.895 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.056 0.714 -9.487 1.00 0.00 N ATOM 0 H ARG A 59 2.051 -6.108 -6.428 1.00 0.00 H new ATOM 0 HA ARG A 59 3.149 -3.433 -6.751 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.035 -5.095 -8.997 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.805 -3.358 -8.988 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.494 -4.777 -8.894 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.784 -4.036 -10.314 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.470 -2.557 -7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.470 -2.572 -9.177 1.00 0.00 H new ATOM 0 HE ARG A 59 3.043 -1.682 -10.137 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.137 -0.687 -7.459 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.645 1.007 -7.553 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.443 0.492 -10.271 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.120 1.673 -9.145 1.00 0.00 H new ATOM 966 N PHE A 60 0.847 -2.483 -6.429 1.00 0.00 N ATOM 967 CA PHE A 60 -0.411 -1.954 -5.911 1.00 0.00 C ATOM 968 C PHE A 60 -1.129 -1.128 -6.973 1.00 0.00 C ATOM 969 O PHE A 60 -0.521 -0.273 -7.638 1.00 0.00 O ATOM 970 CB PHE A 60 -0.171 -1.081 -4.654 1.00 0.00 C ATOM 971 CG PHE A 60 0.318 -1.831 -3.444 1.00 0.00 C ATOM 972 CD1 PHE A 60 1.511 -2.533 -3.471 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.413 -1.815 -2.271 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.961 -3.205 -2.356 1.00 0.00 C ATOM 975 CE2 PHE A 60 0.035 -2.488 -1.151 1.00 0.00 C ATOM 976 CZ PHE A 60 1.222 -3.183 -1.195 1.00 0.00 C ATOM 0 H PHE A 60 1.541 -1.768 -6.649 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.036 -2.804 -5.637 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.555 -0.306 -4.901 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.102 -0.575 -4.398 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.097 -2.554 -4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.345 -1.270 -2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.893 -3.749 -2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.546 -2.469 -0.241 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.573 -3.710 -0.320 1.00 0.00 H new ATOM 986 N ARG A 61 -2.417 -1.384 -7.146 1.00 0.00 N ATOM 987 CA ARG A 61 -3.224 -0.629 -8.099 1.00 0.00 C ATOM 988 C ARG A 61 -4.516 -0.146 -7.458 1.00 0.00 C ATOM 989 O ARG A 61 -5.135 -0.845 -6.649 1.00 0.00 O ATOM 990 CB ARG A 61 -3.550 -1.458 -9.336 1.00 0.00 C ATOM 991 CG ARG A 61 -4.510 -2.586 -9.063 1.00 0.00 C ATOM 992 CD ARG A 61 -5.650 -2.617 -10.045 1.00 0.00 C ATOM 993 NE ARG A 61 -6.187 -3.979 -10.191 1.00 0.00 N ATOM 994 CZ ARG A 61 -6.834 -4.434 -11.264 1.00 0.00 C ATOM 995 NH1 ARG A 61 -7.037 -3.646 -12.312 1.00 0.00 N ATOM 996 NH2 ARG A 61 -7.261 -5.693 -11.293 1.00 0.00 N ATOM 0 H ARG A 61 -2.928 -2.108 -6.640 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.632 0.234 -8.404 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.974 -0.806 -10.100 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.626 -1.868 -9.744 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.974 -3.534 -9.103 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.907 -2.486 -8.053 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.440 -1.945 -9.710 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.310 -2.251 -11.014 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.054 -4.624 -9.412 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.697 -2.684 -12.300 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.533 -4.002 -13.129 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.093 -6.307 -10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.756 -6.045 -12.112 1.00 0.00 H new ATOM 1010 N PHE A 62 -4.923 1.041 -7.820 1.00 0.00 N ATOM 1011 CA PHE A 62 -6.140 1.630 -7.322 1.00 0.00 C ATOM 1012 C PHE A 62 -6.746 2.484 -8.411 1.00 0.00 C ATOM 1013 O PHE A 62 -6.024 3.146 -9.135 1.00 0.00 O ATOM 1014 CB PHE A 62 -5.851 2.487 -6.083 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.063 3.187 -5.528 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.908 2.546 -4.635 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.357 4.489 -5.906 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -9.019 3.192 -4.134 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.469 5.136 -5.408 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.300 4.487 -4.520 1.00 0.00 C ATOM 0 H PHE A 62 -4.414 1.634 -8.476 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.837 0.842 -7.037 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.423 1.853 -5.307 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.098 3.233 -6.337 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.695 1.532 -4.329 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.707 5.003 -6.599 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.670 2.684 -3.438 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.688 6.149 -5.713 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.170 4.991 -4.127 1.00 0.00 H new ATOM 1030 N ASP A 63 -8.070 2.452 -8.554 1.00 0.00 N ATOM 1031 CA ASP A 63 -8.768 3.262 -9.580 1.00 0.00 C ATOM 1032 C ASP A 63 -8.360 2.808 -10.967 1.00 0.00 C ATOM 1033 O ASP A 63 -8.442 3.560 -11.937 1.00 0.00 O ATOM 1034 CB ASP A 63 -8.414 4.744 -9.412 1.00 0.00 C ATOM 1035 CG ASP A 63 -9.384 5.690 -10.103 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -10.513 5.868 -9.593 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -9.015 6.285 -11.138 1.00 0.00 O ATOM 0 H ASP A 63 -8.689 1.879 -7.980 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.843 3.129 -9.455 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.384 4.982 -8.349 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.412 4.915 -9.805 1.00 0.00 H new ATOM 1042 N GLY A 64 -7.942 1.562 -11.082 1.00 0.00 N ATOM 1043 CA GLY A 64 -7.487 1.078 -12.350 1.00 0.00 C ATOM 1044 C GLY A 64 -6.101 1.563 -12.709 1.00 0.00 C ATOM 1045 O GLY A 64 -5.567 1.211 -13.761 1.00 0.00 O ATOM 0 H GLY A 64 -7.912 0.884 -10.321 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.492 -0.012 -12.339 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.187 1.392 -13.124 1.00 0.00 H new ATOM 1049 N GLN A 65 -5.495 2.356 -11.845 1.00 0.00 N ATOM 1050 CA GLN A 65 -4.174 2.877 -12.113 1.00 0.00 C ATOM 1051 C GLN A 65 -3.196 2.451 -11.031 1.00 0.00 C ATOM 1052 O GLN A 65 -3.555 2.339 -9.861 1.00 0.00 O ATOM 1053 CB GLN A 65 -4.210 4.405 -12.245 1.00 0.00 C ATOM 1054 CG GLN A 65 -4.837 5.112 -11.059 1.00 0.00 C ATOM 1055 CD GLN A 65 -4.963 6.598 -11.268 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -4.066 7.365 -10.927 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -6.074 7.011 -11.829 1.00 0.00 N ATOM 0 H GLN A 65 -5.897 2.651 -10.955 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.831 2.462 -13.061 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.192 4.772 -12.377 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.763 4.669 -13.146 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.825 4.691 -10.871 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.235 4.924 -10.170 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.792 6.337 -12.096 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.220 8.006 -11.999 1.00 0.00 H new ATOM 1066 N PRO A 66 -1.962 2.167 -11.412 1.00 0.00 N ATOM 1067 CA PRO A 66 -0.927 1.779 -10.465 1.00 0.00 C ATOM 1068 C PRO A 66 -0.456 2.965 -9.625 1.00 0.00 C ATOM 1069 O PRO A 66 -0.451 4.111 -10.087 1.00 0.00 O ATOM 1070 CB PRO A 66 0.203 1.277 -11.367 1.00 0.00 C ATOM 1071 CG PRO A 66 0.008 2.003 -12.652 1.00 0.00 C ATOM 1072 CD PRO A 66 -1.473 2.191 -12.802 1.00 0.00 C ATOM 0 HA PRO A 66 -1.276 1.036 -9.748 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.180 1.492 -10.935 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.147 0.198 -11.509 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.524 2.963 -12.639 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.415 1.433 -13.487 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.711 3.133 -13.295 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.921 1.397 -13.399 1.00 0.00 H new ATOM 1080 N ILE A 67 -0.056 2.698 -8.397 1.00 0.00 N ATOM 1081 CA ILE A 67 0.427 3.748 -7.515 1.00 0.00 C ATOM 1082 C ILE A 67 1.753 3.369 -6.916 1.00 0.00 C ATOM 1083 O ILE A 67 1.981 2.219 -6.542 1.00 0.00 O ATOM 1084 CB ILE A 67 -0.568 4.123 -6.372 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -1.044 2.883 -5.580 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -1.747 4.924 -6.914 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -2.194 2.137 -6.214 1.00 0.00 C ATOM 0 H ILE A 67 -0.055 1.765 -7.986 1.00 0.00 H new ATOM 0 HA ILE A 67 0.532 4.631 -8.145 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.026 4.755 -5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.204 2.198 -5.463 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.340 3.198 -4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.425 5.172 -6.097 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.382 5.842 -7.374 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.278 4.331 -7.659 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.461 1.283 -5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.053 2.802 -6.306 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.899 1.786 -7.203 1.00 0.00 H new ATOM 1099 N ASN A 68 2.651 4.317 -6.877 1.00 0.00 N ATOM 1100 CA ASN A 68 3.966 4.112 -6.308 1.00 0.00 C ATOM 1101 C ASN A 68 3.990 4.517 -4.848 1.00 0.00 C ATOM 1102 O ASN A 68 3.183 5.327 -4.403 1.00 0.00 O ATOM 1103 CB ASN A 68 5.026 4.890 -7.104 1.00 0.00 C ATOM 1104 CG ASN A 68 4.438 6.088 -7.819 1.00 0.00 C ATOM 1105 OD1 ASN A 68 4.030 5.993 -8.978 1.00 0.00 O ATOM 1106 ND2 ASN A 68 4.375 7.206 -7.145 1.00 0.00 N ATOM 0 H ASN A 68 2.495 5.258 -7.239 1.00 0.00 H new ATOM 0 HA ASN A 68 4.202 3.050 -6.369 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.814 5.223 -6.428 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.491 4.226 -7.833 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.977 8.040 -7.577 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.724 7.244 -6.187 1.00 0.00 H new ATOM 1113 N GLU A 69 4.925 3.953 -4.103 1.00 0.00 N ATOM 1114 CA GLU A 69 5.073 4.222 -2.668 1.00 0.00 C ATOM 1115 C GLU A 69 5.357 5.696 -2.387 1.00 0.00 C ATOM 1116 O GLU A 69 5.154 6.185 -1.271 1.00 0.00 O ATOM 1117 CB GLU A 69 6.190 3.369 -2.088 1.00 0.00 C ATOM 1118 CG GLU A 69 7.453 3.369 -2.916 1.00 0.00 C ATOM 1119 CD GLU A 69 8.654 2.901 -2.137 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.176 3.687 -1.315 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.089 1.752 -2.337 1.00 0.00 O ATOM 0 H GLU A 69 5.610 3.292 -4.470 1.00 0.00 H new ATOM 0 HA GLU A 69 4.126 3.967 -2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.424 3.727 -1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.835 2.344 -1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.314 2.725 -3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.637 4.376 -3.292 1.00 0.00 H new ATOM 1128 N THR A 70 5.826 6.397 -3.392 1.00 0.00 N ATOM 1129 CA THR A 70 6.151 7.800 -3.274 1.00 0.00 C ATOM 1130 C THR A 70 4.892 8.661 -3.358 1.00 0.00 C ATOM 1131 O THR A 70 4.914 9.861 -3.084 1.00 0.00 O ATOM 1132 CB THR A 70 7.128 8.207 -4.379 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.571 7.856 -5.649 1.00 0.00 O ATOM 1134 CG2 THR A 70 8.445 7.484 -4.209 1.00 0.00 C ATOM 0 H THR A 70 5.994 6.009 -4.320 1.00 0.00 H new ATOM 0 HA THR A 70 6.616 7.960 -2.301 1.00 0.00 H new ATOM 0 HB THR A 70 7.298 9.282 -4.321 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.192 8.116 -6.361 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.130 7.784 -5.002 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.877 7.738 -3.241 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.279 6.408 -4.261 1.00 0.00 H new ATOM 1142 N ASP A 71 3.791 8.040 -3.740 1.00 0.00 N ATOM 1143 CA ASP A 71 2.522 8.739 -3.850 1.00 0.00 C ATOM 1144 C ASP A 71 1.755 8.656 -2.556 1.00 0.00 C ATOM 1145 O ASP A 71 2.050 7.831 -1.693 1.00 0.00 O ATOM 1146 CB ASP A 71 1.680 8.206 -5.014 1.00 0.00 C ATOM 1147 CG ASP A 71 1.912 8.983 -6.293 1.00 0.00 C ATOM 1148 OD1 ASP A 71 2.135 10.217 -6.216 1.00 0.00 O ATOM 1149 OD2 ASP A 71 1.877 8.374 -7.377 1.00 0.00 O ATOM 0 H ASP A 71 3.749 7.050 -3.980 1.00 0.00 H new ATOM 0 HA ASP A 71 2.741 9.786 -4.057 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.918 7.156 -5.181 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.624 8.255 -4.748 1.00 0.00 H new ATOM 1154 N THR A 72 0.783 9.517 -2.405 1.00 0.00 N ATOM 1155 CA THR A 72 -0.020 9.566 -1.203 1.00 0.00 C ATOM 1156 C THR A 72 -1.482 9.278 -1.525 1.00 0.00 C ATOM 1157 O THR A 72 -1.911 9.434 -2.671 1.00 0.00 O ATOM 1158 CB THR A 72 0.084 10.958 -0.544 1.00 0.00 C ATOM 1159 OG1 THR A 72 -0.223 11.975 -1.512 1.00 0.00 O ATOM 1160 CG2 THR A 72 1.478 11.192 0.010 1.00 0.00 C ATOM 0 H THR A 72 0.522 10.206 -3.110 1.00 0.00 H new ATOM 0 HA THR A 72 0.356 8.808 -0.516 1.00 0.00 H new ATOM 0 HB THR A 72 -0.629 11.003 0.279 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.158 12.858 -1.091 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.526 12.179 0.469 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.704 10.432 0.758 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.206 11.132 -0.799 1.00 0.00 H new ATOM 1168 N PRO A 73 -2.280 8.853 -0.523 1.00 0.00 N ATOM 1169 CA PRO A 73 -3.713 8.607 -0.716 1.00 0.00 C ATOM 1170 C PRO A 73 -4.475 9.906 -1.023 1.00 0.00 C ATOM 1171 O PRO A 73 -5.677 9.898 -1.319 1.00 0.00 O ATOM 1172 CB PRO A 73 -4.168 8.019 0.628 1.00 0.00 C ATOM 1173 CG PRO A 73 -3.137 8.454 1.612 1.00 0.00 C ATOM 1174 CD PRO A 73 -1.847 8.553 0.859 1.00 0.00 C ATOM 0 HA PRO A 73 -3.907 7.947 -1.561 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.156 8.386 0.904 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.234 6.932 0.581 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.403 9.414 2.054 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.055 7.738 2.430 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.207 9.339 1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.280 7.624 0.910 1.00 0.00 H new ATOM 1182 N ALA A 74 -3.772 11.026 -0.943 1.00 0.00 N ATOM 1183 CA ALA A 74 -4.346 12.324 -1.237 1.00 0.00 C ATOM 1184 C ALA A 74 -4.061 12.720 -2.677 1.00 0.00 C ATOM 1185 O ALA A 74 -4.669 13.640 -3.214 1.00 0.00 O ATOM 1186 CB ALA A 74 -3.799 13.371 -0.287 1.00 0.00 C ATOM 0 H ALA A 74 -2.789 11.057 -0.672 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.426 12.260 -1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.240 14.340 -0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.047 13.097 0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.716 13.430 -0.395 1.00 0.00 H new ATOM 1192 N GLN A 75 -3.133 12.006 -3.309 1.00 0.00 N ATOM 1193 CA GLN A 75 -2.746 12.282 -4.690 1.00 0.00 C ATOM 1194 C GLN A 75 -3.894 11.947 -5.632 1.00 0.00 C ATOM 1195 O GLN A 75 -4.125 12.628 -6.629 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.520 11.448 -5.070 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.746 11.993 -6.251 1.00 0.00 C ATOM 1198 CD GLN A 75 0.161 13.131 -5.850 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.239 14.296 -5.856 1.00 0.00 O ATOM 1200 NE2 GLN A 75 1.389 12.801 -5.504 1.00 0.00 N ATOM 0 H GLN A 75 -2.632 11.226 -2.883 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.504 13.341 -4.777 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.854 11.387 -4.209 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.841 10.431 -5.297 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.152 11.195 -6.696 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.443 12.336 -7.015 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.676 11.822 -5.514 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.052 13.524 -5.226 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.609 10.884 -5.310 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.722 10.426 -6.125 1.00 0.00 C ATOM 1211 C LEU A 76 -7.059 10.617 -5.408 1.00 0.00 C ATOM 1212 O LEU A 76 -8.112 10.253 -5.925 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.529 8.946 -6.580 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.944 7.930 -5.552 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.442 8.110 -5.372 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.648 8.034 -4.214 1.00 0.00 C ATOM 0 H LEU A 76 -4.437 10.316 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.740 11.044 -7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.498 8.569 -6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.877 8.948 -7.454 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.118 6.934 -5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.073 7.384 -4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.940 7.957 -6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.237 9.118 -5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.217 7.313 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.524 9.041 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.709 7.823 -4.344 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.999 11.190 -4.200 1.00 0.00 N ATOM 1229 CA GLU A 77 -8.188 11.461 -3.383 1.00 0.00 C ATOM 1230 C GLU A 77 -9.068 10.227 -3.176 1.00 0.00 C ATOM 1231 O GLU A 77 -10.243 10.204 -3.562 1.00 0.00 O ATOM 1232 CB GLU A 77 -9.000 12.609 -3.973 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.420 13.975 -3.674 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.530 14.333 -2.209 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -7.710 13.845 -1.405 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.447 15.099 -1.851 1.00 0.00 O ATOM 0 H GLU A 77 -6.125 11.479 -3.761 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.825 11.752 -2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.066 12.479 -5.053 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.017 12.562 -3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.372 13.997 -3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.938 14.726 -4.270 1.00 0.00 H new ATOM 1243 N MET A 78 -8.508 9.197 -2.568 1.00 0.00 N ATOM 1244 CA MET A 78 -9.264 7.983 -2.278 1.00 0.00 C ATOM 1245 C MET A 78 -10.138 8.180 -1.053 1.00 0.00 C ATOM 1246 O MET A 78 -9.975 9.152 -0.308 1.00 0.00 O ATOM 1247 CB MET A 78 -8.334 6.784 -2.074 1.00 0.00 C ATOM 1248 CG MET A 78 -7.228 7.027 -1.068 1.00 0.00 C ATOM 1249 SD MET A 78 -6.261 5.547 -0.713 1.00 0.00 S ATOM 1250 CE MET A 78 -5.903 4.940 -2.357 1.00 0.00 C ATOM 0 H MET A 78 -7.535 9.173 -2.264 1.00 0.00 H new ATOM 0 HA MET A 78 -9.901 7.776 -3.138 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.926 5.929 -1.748 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.888 6.516 -3.032 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.565 7.805 -1.446 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.663 7.401 -0.141 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.857 4.637 -2.413 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.541 4.084 -2.576 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.092 5.729 -3.085 1.00 0.00 H new ATOM 1260 N GLU A 79 -11.054 7.262 -0.836 1.00 0.00 N ATOM 1261 CA GLU A 79 -11.974 7.350 0.279 1.00 0.00 C ATOM 1262 C GLU A 79 -11.429 6.586 1.487 1.00 0.00 C ATOM 1263 O GLU A 79 -10.488 5.796 1.370 1.00 0.00 O ATOM 1264 CB GLU A 79 -13.347 6.794 -0.135 1.00 0.00 C ATOM 1265 CG GLU A 79 -14.426 6.927 0.927 1.00 0.00 C ATOM 1266 CD GLU A 79 -15.744 6.348 0.492 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -15.828 5.111 0.325 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -16.709 7.122 0.324 1.00 0.00 O ATOM 0 H GLU A 79 -11.183 6.438 -1.423 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.086 8.397 0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.677 7.310 -1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.236 5.741 -0.392 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.097 6.427 1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.560 7.980 1.173 1.00 0.00 H new ATOM 1275 N ASP A 80 -12.016 6.826 2.646 1.00 0.00 N ATOM 1276 CA ASP A 80 -11.626 6.139 3.851 1.00 0.00 C ATOM 1277 C ASP A 80 -12.199 4.739 3.858 1.00 0.00 C ATOM 1278 O ASP A 80 -13.342 4.520 3.465 1.00 0.00 O ATOM 1279 CB ASP A 80 -12.067 6.907 5.107 1.00 0.00 C ATOM 1280 CG ASP A 80 -13.520 7.340 5.061 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -13.818 8.351 4.390 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -14.366 6.686 5.704 1.00 0.00 O ATOM 0 H ASP A 80 -12.771 7.500 2.772 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.538 6.080 3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.909 6.279 5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.436 7.787 5.228 1.00 0.00 H new ATOM 1287 N GLU A 81 -11.377 3.795 4.280 1.00 0.00 N ATOM 1288 CA GLU A 81 -11.718 2.376 4.351 1.00 0.00 C ATOM 1289 C GLU A 81 -11.770 1.749 2.964 1.00 0.00 C ATOM 1290 O GLU A 81 -12.323 0.661 2.773 1.00 0.00 O ATOM 1291 CB GLU A 81 -13.021 2.141 5.123 1.00 0.00 C ATOM 1292 CG GLU A 81 -12.979 2.667 6.546 1.00 0.00 C ATOM 1293 CD GLU A 81 -14.132 2.179 7.383 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -14.169 0.971 7.706 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -15.004 2.997 7.732 1.00 0.00 O ATOM 0 H GLU A 81 -10.427 3.994 4.592 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.923 1.880 4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.842 2.620 4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -13.235 1.072 5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.042 2.363 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.986 3.757 6.526 1.00 0.00 H new ATOM 1302 N ASP A 82 -11.184 2.438 1.984 1.00 0.00 N ATOM 1303 CA ASP A 82 -11.107 1.928 0.619 1.00 0.00 C ATOM 1304 C ASP A 82 -10.140 0.748 0.552 1.00 0.00 C ATOM 1305 O ASP A 82 -9.496 0.405 1.543 1.00 0.00 O ATOM 1306 CB ASP A 82 -10.648 3.021 -0.338 1.00 0.00 C ATOM 1307 CG ASP A 82 -11.371 2.957 -1.662 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -11.245 1.930 -2.372 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -12.075 3.933 -2.002 1.00 0.00 O ATOM 0 H ASP A 82 -10.755 3.354 2.113 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.102 1.596 0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.815 3.996 0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.575 2.928 -0.506 1.00 0.00 H new ATOM 1314 N THR A 83 -10.016 0.129 -0.606 1.00 0.00 N ATOM 1315 CA THR A 83 -9.150 -1.027 -0.741 1.00 0.00 C ATOM 1316 C THR A 83 -8.323 -0.947 -2.031 1.00 0.00 C ATOM 1317 O THR A 83 -8.751 -0.359 -3.027 1.00 0.00 O ATOM 1318 CB THR A 83 -9.971 -2.339 -0.723 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.030 -2.224 0.240 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.093 -3.521 -0.337 1.00 0.00 C ATOM 0 H THR A 83 -10.500 0.404 -1.461 1.00 0.00 H new ATOM 0 HA THR A 83 -8.469 -1.029 0.110 1.00 0.00 H new ATOM 0 HB THR A 83 -10.376 -2.504 -1.722 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.552 -3.053 0.252 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.691 -4.432 -0.331 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.283 -3.624 -1.059 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.675 -3.355 0.656 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.142 -1.545 -2.011 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.237 -1.526 -3.151 1.00 0.00 C ATOM 1330 C ILE A 84 -5.952 -2.955 -3.596 1.00 0.00 C ATOM 1331 O ILE A 84 -5.869 -3.863 -2.767 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.890 -0.798 -2.813 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -5.094 0.717 -2.678 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -3.820 -1.089 -3.858 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -5.787 1.141 -1.409 1.00 0.00 C ATOM 0 H ILE A 84 -6.784 -2.057 -1.205 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.720 -0.972 -3.956 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.549 -1.189 -1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.122 1.208 -2.728 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.674 1.071 -3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.900 -0.568 -3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.631 -2.162 -3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.162 -0.745 -4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.890 2.226 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.775 0.682 -1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.198 0.822 -0.549 1.00 0.00 H new ATOM 1347 N ASP A 85 -5.813 -3.159 -4.896 1.00 0.00 N ATOM 1348 CA ASP A 85 -5.552 -4.483 -5.440 1.00 0.00 C ATOM 1349 C ASP A 85 -4.069 -4.742 -5.497 1.00 0.00 C ATOM 1350 O ASP A 85 -3.292 -3.910 -5.983 1.00 0.00 O ATOM 1351 CB ASP A 85 -6.117 -4.599 -6.838 1.00 0.00 C ATOM 1352 CG ASP A 85 -6.119 -6.010 -7.367 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -6.483 -6.937 -6.618 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -5.766 -6.193 -8.546 1.00 0.00 O ATOM 0 H ASP A 85 -5.877 -2.421 -5.597 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.030 -5.215 -4.789 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.137 -4.216 -6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.536 -3.968 -7.510 1.00 0.00 H new ATOM 1359 N VAL A 86 -3.670 -5.875 -4.999 1.00 0.00 N ATOM 1360 CA VAL A 86 -2.288 -6.266 -5.008 1.00 0.00 C ATOM 1361 C VAL A 86 -2.088 -7.528 -5.806 1.00 0.00 C ATOM 1362 O VAL A 86 -2.841 -8.497 -5.684 1.00 0.00 O ATOM 1363 CB VAL A 86 -1.728 -6.440 -3.571 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -0.516 -7.366 -3.548 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -1.348 -5.093 -3.020 1.00 0.00 C ATOM 0 H VAL A 86 -4.296 -6.558 -4.573 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.731 -5.460 -5.486 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.505 -6.893 -2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.152 -7.463 -2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.801 -8.348 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.272 -6.950 -4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.954 -5.211 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.587 -4.641 -3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.227 -4.449 -2.994 1.00 0.00 H new ATOM 1375 N PHE A 87 -1.076 -7.514 -6.625 1.00 0.00 N ATOM 1376 CA PHE A 87 -0.740 -8.646 -7.452 1.00 0.00 C ATOM 1377 C PHE A 87 0.753 -8.880 -7.411 1.00 0.00 C ATOM 1378 O PHE A 87 1.534 -7.933 -7.292 1.00 0.00 O ATOM 1379 CB PHE A 87 -1.232 -8.436 -8.886 1.00 0.00 C ATOM 1380 CG PHE A 87 -0.993 -7.050 -9.425 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -1.833 -6.003 -9.074 1.00 0.00 C ATOM 1382 CD2 PHE A 87 0.062 -6.796 -10.280 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -1.623 -4.736 -9.562 1.00 0.00 C ATOM 1384 CE2 PHE A 87 0.275 -5.525 -10.775 1.00 0.00 C ATOM 1385 CZ PHE A 87 -0.569 -4.492 -10.415 1.00 0.00 C ATOM 0 H PHE A 87 -0.454 -6.714 -6.741 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.240 -9.533 -7.064 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.737 -9.157 -9.537 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.300 -8.650 -8.927 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.663 -6.186 -8.408 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.726 -7.599 -10.564 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.284 -3.931 -9.277 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.102 -5.338 -11.444 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.403 -3.497 -10.801 1.00 0.00 H new ATOM 1395 N GLN A 88 1.160 -10.131 -7.481 1.00 0.00 N ATOM 1396 CA GLN A 88 2.565 -10.457 -7.394 1.00 0.00 C ATOM 1397 C GLN A 88 3.084 -10.947 -8.731 1.00 0.00 C ATOM 1398 O GLN A 88 2.693 -12.011 -9.214 1.00 0.00 O ATOM 1399 CB GLN A 88 2.810 -11.522 -6.317 1.00 0.00 C ATOM 1400 CG GLN A 88 1.830 -11.464 -5.149 1.00 0.00 C ATOM 1401 CD GLN A 88 2.350 -12.128 -3.885 1.00 0.00 C ATOM 1402 OE1 GLN A 88 1.579 -12.721 -3.127 1.00 0.00 O ATOM 1403 NE2 GLN A 88 3.638 -11.977 -3.615 1.00 0.00 N ATOM 0 H GLN A 88 0.541 -10.933 -7.597 1.00 0.00 H new ATOM 0 HA GLN A 88 3.104 -9.550 -7.119 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.752 -12.508 -6.777 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.824 -11.408 -5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.597 -10.421 -4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.897 -11.944 -5.444 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.241 -11.479 -4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.026 -12.358 -2.752 1.00 0.00 H new