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 15 ASN : amide:sc= -0.0914 X(o=-0.091,f=-0.22) USER MOD Set 1.2: A 35 LYS NZ :NH3+ 169:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.45) USER MOD Single : A 19 ASN : amide:sc=-1.18e-05 X(o=-1.2e-05,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0069 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0072) USER MOD Single : A 37 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.18) USER MOD Single : A 38 THR OG1 : rot 140:sc= -1.1 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 149:sc= -0.129 (180deg=-0.742) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.142 K(o=-0.14,f=-2.2!) USER MOD Single : A 54 SER OG : rot 27:sc= 0.26 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=-0.027) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.2) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0988 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 166:sc= -0.22 (180deg=-1.18) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0248 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 15 0.095 16.803 -10.331 1.00 0.00 N ATOM 217 CA ASN A 15 -1.144 17.006 -9.589 1.00 0.00 C ATOM 218 C ASN A 15 -0.878 17.052 -8.087 1.00 0.00 C ATOM 219 O ASN A 15 -0.852 18.125 -7.483 1.00 0.00 O ATOM 220 CB ASN A 15 -2.143 15.891 -9.907 1.00 0.00 C ATOM 221 CG ASN A 15 -2.607 15.926 -11.350 1.00 0.00 C ATOM 222 OD1 ASN A 15 -2.047 16.646 -12.177 1.00 0.00 O ATOM 223 ND2 ASN A 15 -3.636 15.146 -11.659 1.00 0.00 N ATOM 0 HA ASN A 15 -1.568 17.963 -9.895 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.683 14.925 -9.699 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.007 15.982 -9.248 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.993 15.127 -12.614 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.070 14.565 -10.941 1.00 0.00 H new ATOM 230 N ASP A 16 -0.680 15.881 -7.491 1.00 0.00 N ATOM 231 CA ASP A 16 -0.413 15.787 -6.060 1.00 0.00 C ATOM 232 C ASP A 16 0.771 14.865 -5.788 1.00 0.00 C ATOM 233 O ASP A 16 1.346 14.287 -6.710 1.00 0.00 O ATOM 234 CB ASP A 16 -1.652 15.278 -5.322 1.00 0.00 C ATOM 235 CG ASP A 16 -2.414 16.393 -4.633 1.00 0.00 C ATOM 236 OD1 ASP A 16 -1.822 17.068 -3.764 1.00 0.00 O ATOM 237 OD2 ASP A 16 -3.602 16.592 -4.963 1.00 0.00 O ATOM 0 H ASP A 16 -0.699 14.984 -7.976 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.165 16.784 -5.695 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.311 14.774 -6.029 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.351 14.536 -4.582 1.00 0.00 H new ATOM 242 N HIS A 17 1.132 14.734 -4.515 1.00 0.00 N ATOM 243 CA HIS A 17 2.249 13.883 -4.121 1.00 0.00 C ATOM 244 C HIS A 17 2.133 13.479 -2.654 1.00 0.00 C ATOM 245 O HIS A 17 2.296 14.307 -1.758 1.00 0.00 O ATOM 246 CB HIS A 17 3.576 14.603 -4.361 1.00 0.00 C ATOM 247 CG HIS A 17 3.583 16.022 -3.880 1.00 0.00 C ATOM 248 ND1 HIS A 17 3.059 17.066 -4.613 1.00 0.00 N ATOM 249 CD2 HIS A 17 4.052 16.566 -2.733 1.00 0.00 C ATOM 250 CE1 HIS A 17 3.208 18.192 -3.937 1.00 0.00 C ATOM 251 NE2 HIS A 17 3.807 17.916 -2.793 1.00 0.00 N ATOM 0 H HIS A 17 0.667 15.206 -3.739 1.00 0.00 H new ATOM 0 HA HIS A 17 2.219 12.980 -4.731 1.00 0.00 H new ATOM 0 HB2 HIS A 17 4.374 14.054 -3.860 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.800 14.588 -5.428 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.530 16.037 -1.922 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.893 19.172 -4.265 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.048 18.595 -2.071 1.00 0.00 H new ATOM 259 N ILE A 18 1.850 12.203 -2.418 1.00 0.00 N ATOM 260 CA ILE A 18 1.713 11.690 -1.060 1.00 0.00 C ATOM 261 C ILE A 18 2.632 10.496 -0.828 1.00 0.00 C ATOM 262 O ILE A 18 3.279 10.009 -1.753 1.00 0.00 O ATOM 263 CB ILE A 18 0.261 11.272 -0.760 1.00 0.00 C ATOM 264 CG1 ILE A 18 -0.057 9.934 -1.430 1.00 0.00 C ATOM 265 CG2 ILE A 18 -0.707 12.348 -1.228 1.00 0.00 C ATOM 266 CD1 ILE A 18 -1.461 9.441 -1.160 1.00 0.00 C ATOM 0 H ILE A 18 1.711 11.505 -3.149 1.00 0.00 H new ATOM 0 HA ILE A 18 1.996 12.499 -0.387 1.00 0.00 H new ATOM 0 HB ILE A 18 0.148 11.153 0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.084 10.034 -2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.655 9.185 -1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.729 12.038 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.492 13.282 -0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.595 12.496 -2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.616 8.488 -1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.600 9.309 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.181 10.170 -1.532 1.00 0.00 H new ATOM 278 N ASN A 19 2.682 10.028 0.415 1.00 0.00 N ATOM 279 CA ASN A 19 3.521 8.888 0.770 1.00 0.00 C ATOM 280 C ASN A 19 2.682 7.754 1.350 1.00 0.00 C ATOM 281 O ASN A 19 1.737 7.990 2.105 1.00 0.00 O ATOM 282 CB ASN A 19 4.593 9.312 1.776 1.00 0.00 C ATOM 283 CG ASN A 19 5.911 8.597 1.551 1.00 0.00 C ATOM 284 OD1 ASN A 19 6.799 9.109 0.869 1.00 0.00 O ATOM 285 ND2 ASN A 19 6.045 7.407 2.126 1.00 0.00 N ATOM 0 H ASN A 19 2.152 10.420 1.193 1.00 0.00 H new ATOM 0 HA ASN A 19 4.006 8.528 -0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.750 10.388 1.704 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.240 9.108 2.787 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.910 6.879 2.011 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.283 7.021 2.683 1.00 0.00 H new ATOM 292 N LEU A 20 3.032 6.524 0.993 1.00 0.00 N ATOM 293 CA LEU A 20 2.312 5.352 1.479 1.00 0.00 C ATOM 294 C LEU A 20 3.275 4.207 1.779 1.00 0.00 C ATOM 295 O LEU A 20 4.401 4.181 1.281 1.00 0.00 O ATOM 296 CB LEU A 20 1.274 4.904 0.449 1.00 0.00 C ATOM 297 CG LEU A 20 0.267 5.965 0.006 1.00 0.00 C ATOM 298 CD1 LEU A 20 0.312 6.147 -1.503 1.00 0.00 C ATOM 299 CD2 LEU A 20 -1.137 5.590 0.458 1.00 0.00 C ATOM 0 H LEU A 20 3.810 6.312 0.369 1.00 0.00 H new ATOM 0 HA LEU A 20 1.803 5.626 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.801 4.541 -0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.723 4.059 0.862 1.00 0.00 H new ATOM 0 HG LEU A 20 0.537 6.912 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.412 6.906 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.312 6.462 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.068 5.203 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.841 6.357 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.417 4.632 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.161 5.512 1.545 1.00 0.00 H new ATOM 311 N LYS A 21 2.823 3.260 2.594 1.00 0.00 N ATOM 312 CA LYS A 21 3.642 2.109 2.958 1.00 0.00 C ATOM 313 C LYS A 21 2.804 0.835 2.994 1.00 0.00 C ATOM 314 O LYS A 21 1.890 0.704 3.808 1.00 0.00 O ATOM 315 CB LYS A 21 4.301 2.337 4.320 1.00 0.00 C ATOM 316 CG LYS A 21 5.258 3.517 4.343 1.00 0.00 C ATOM 317 CD LYS A 21 6.485 3.256 3.487 1.00 0.00 C ATOM 318 CE LYS A 21 7.403 2.226 4.127 1.00 0.00 C ATOM 319 NZ LYS A 21 8.526 2.866 4.865 1.00 0.00 N ATOM 0 H LYS A 21 1.894 3.267 3.015 1.00 0.00 H new ATOM 0 HA LYS A 21 4.417 1.992 2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.524 2.495 5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.842 1.436 4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.746 4.409 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.565 3.718 5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.175 2.906 2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.030 4.188 3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.828 1.602 4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.804 1.568 3.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.128 2.130 5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.090 3.441 4.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.145 3.474 5.618 1.00 0.00 H new ATOM 333 N VAL A 22 3.124 -0.103 2.107 1.00 0.00 N ATOM 334 CA VAL A 22 2.402 -1.368 2.039 1.00 0.00 C ATOM 335 C VAL A 22 3.109 -2.448 2.850 1.00 0.00 C ATOM 336 O VAL A 22 3.920 -3.206 2.319 1.00 0.00 O ATOM 337 CB VAL A 22 2.251 -1.850 0.584 1.00 0.00 C ATOM 338 CG1 VAL A 22 1.599 -3.224 0.542 1.00 0.00 C ATOM 339 CG2 VAL A 22 1.448 -0.845 -0.229 1.00 0.00 C ATOM 0 H VAL A 22 3.878 -0.010 1.426 1.00 0.00 H new ATOM 0 HA VAL A 22 1.412 -1.191 2.460 1.00 0.00 H new ATOM 0 HB VAL A 22 3.244 -1.931 0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.500 -3.548 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.217 -3.937 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.612 -3.173 1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.351 -1.201 -1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.457 -0.730 0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.960 0.117 -0.226 1.00 0.00 H new ATOM 349 N ALA A 23 2.795 -2.513 4.140 1.00 0.00 N ATOM 350 CA ALA A 23 3.399 -3.502 5.024 1.00 0.00 C ATOM 351 C ALA A 23 2.335 -4.390 5.660 1.00 0.00 C ATOM 352 O ALA A 23 1.391 -3.900 6.278 1.00 0.00 O ATOM 353 CB ALA A 23 4.227 -2.813 6.099 1.00 0.00 C ATOM 0 H ALA A 23 2.126 -1.892 4.596 1.00 0.00 H new ATOM 0 HA ALA A 23 4.055 -4.136 4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.672 -3.564 6.752 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.016 -2.226 5.630 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.586 -2.155 6.686 1.00 0.00 H new ATOM 359 N GLY A 24 2.495 -5.701 5.505 1.00 0.00 N ATOM 360 CA GLY A 24 1.541 -6.637 6.069 1.00 0.00 C ATOM 361 C GLY A 24 1.911 -7.066 7.475 1.00 0.00 C ATOM 362 O GLY A 24 3.090 -7.222 7.792 1.00 0.00 O ATOM 0 H GLY A 24 3.269 -6.131 4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.552 -6.180 6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.478 -7.517 5.429 1.00 0.00 H new ATOM 366 N GLN A 25 0.902 -7.255 8.319 1.00 0.00 N ATOM 367 CA GLN A 25 1.129 -7.666 9.700 1.00 0.00 C ATOM 368 C GLN A 25 1.855 -9.006 9.757 1.00 0.00 C ATOM 369 O GLN A 25 2.430 -9.368 10.783 1.00 0.00 O ATOM 370 CB GLN A 25 -0.201 -7.761 10.451 1.00 0.00 C ATOM 371 CG GLN A 25 -1.016 -8.992 10.092 1.00 0.00 C ATOM 372 CD GLN A 25 -2.330 -9.062 10.844 1.00 0.00 C ATOM 373 OE1 GLN A 25 -2.646 -10.071 11.475 1.00 0.00 O ATOM 374 NE2 GLN A 25 -3.106 -7.986 10.781 1.00 0.00 N ATOM 0 H GLN A 25 -0.080 -7.130 8.071 1.00 0.00 H new ATOM 0 HA GLN A 25 1.756 -6.913 10.178 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.004 -7.766 11.523 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.792 -6.870 10.240 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.215 -8.991 9.020 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.431 -9.886 10.307 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.805 -7.171 10.246 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.003 -7.975 11.267 1.00 0.00 H new ATOM 383 N ASP A 26 1.824 -9.738 8.649 1.00 0.00 N ATOM 384 CA ASP A 26 2.479 -11.038 8.572 1.00 0.00 C ATOM 385 C ASP A 26 3.982 -10.877 8.360 1.00 0.00 C ATOM 386 O ASP A 26 4.775 -11.102 9.273 1.00 0.00 O ATOM 387 CB ASP A 26 1.878 -11.871 7.439 1.00 0.00 C ATOM 388 CG ASP A 26 2.554 -13.219 7.289 1.00 0.00 C ATOM 389 OD1 ASP A 26 3.719 -13.252 6.842 1.00 0.00 O ATOM 390 OD2 ASP A 26 1.917 -14.242 7.619 1.00 0.00 O ATOM 0 H ASP A 26 1.352 -9.453 7.791 1.00 0.00 H new ATOM 0 HA ASP A 26 2.316 -11.555 9.517 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.815 -12.020 7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.962 -11.320 6.503 1.00 0.00 H new ATOM 395 N GLY A 27 4.365 -10.488 7.148 1.00 0.00 N ATOM 396 CA GLY A 27 5.771 -10.305 6.837 1.00 0.00 C ATOM 397 C GLY A 27 5.984 -9.556 5.537 1.00 0.00 C ATOM 398 O GLY A 27 6.667 -10.044 4.636 1.00 0.00 O ATOM 0 H GLY A 27 3.727 -10.296 6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.252 -9.760 7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.256 -11.279 6.775 1.00 0.00 H new ATOM 402 N SER A 28 5.398 -8.367 5.437 1.00 0.00 N ATOM 403 CA SER A 28 5.523 -7.552 4.235 1.00 0.00 C ATOM 404 C SER A 28 5.779 -6.091 4.593 1.00 0.00 C ATOM 405 O SER A 28 5.340 -5.610 5.638 1.00 0.00 O ATOM 406 CB SER A 28 4.259 -7.666 3.381 1.00 0.00 C ATOM 407 OG SER A 28 4.087 -6.518 2.568 1.00 0.00 O ATOM 0 H SER A 28 4.832 -7.947 6.174 1.00 0.00 H new ATOM 0 HA SER A 28 6.374 -7.922 3.663 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.320 -8.555 2.753 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.390 -7.791 4.027 1.00 0.00 H new ATOM 0 HG SER A 28 3.273 -6.616 2.031 1.00 0.00 H new ATOM 413 N VAL A 29 6.492 -5.389 3.718 1.00 0.00 N ATOM 414 CA VAL A 29 6.806 -3.983 3.940 1.00 0.00 C ATOM 415 C VAL A 29 7.456 -3.363 2.708 1.00 0.00 C ATOM 416 O VAL A 29 8.573 -3.722 2.336 1.00 0.00 O ATOM 417 CB VAL A 29 7.744 -3.801 5.148 1.00 0.00 C ATOM 418 CG1 VAL A 29 8.966 -4.696 5.014 1.00 0.00 C ATOM 419 CG2 VAL A 29 8.153 -2.343 5.290 1.00 0.00 C ATOM 0 H VAL A 29 6.863 -5.772 2.848 1.00 0.00 H new ATOM 0 HA VAL A 29 5.862 -3.477 4.143 1.00 0.00 H new ATOM 0 HB VAL A 29 7.207 -4.093 6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.617 -4.554 5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.650 -5.738 4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.508 -4.438 4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.816 -2.233 6.148 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.672 -2.021 4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.265 -1.728 5.436 1.00 0.00 H new ATOM 429 N VAL A 30 6.749 -2.430 2.078 1.00 0.00 N ATOM 430 CA VAL A 30 7.258 -1.759 0.888 1.00 0.00 C ATOM 431 C VAL A 30 6.818 -0.300 0.850 1.00 0.00 C ATOM 432 O VAL A 30 5.763 0.054 1.376 1.00 0.00 O ATOM 433 CB VAL A 30 6.783 -2.461 -0.398 1.00 0.00 C ATOM 434 CG1 VAL A 30 7.483 -1.876 -1.615 1.00 0.00 C ATOM 435 CG2 VAL A 30 7.020 -3.960 -0.305 1.00 0.00 C ATOM 0 H VAL A 30 5.822 -2.122 2.372 1.00 0.00 H new ATOM 0 HA VAL A 30 8.346 -1.806 0.938 1.00 0.00 H new ATOM 0 HB VAL A 30 5.712 -2.292 -0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.135 -2.384 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.257 -0.812 -1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.560 -2.012 -1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.679 -4.440 -1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.084 -4.152 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.467 -4.364 0.543 1.00 0.00 H new ATOM 445 N GLN A 31 7.634 0.542 0.225 1.00 0.00 N ATOM 446 CA GLN A 31 7.328 1.964 0.118 1.00 0.00 C ATOM 447 C GLN A 31 7.088 2.362 -1.334 1.00 0.00 C ATOM 448 O GLN A 31 7.720 1.830 -2.247 1.00 0.00 O ATOM 449 CB GLN A 31 8.468 2.798 0.707 1.00 0.00 C ATOM 450 CG GLN A 31 9.848 2.339 0.264 1.00 0.00 C ATOM 451 CD GLN A 31 10.952 3.257 0.751 1.00 0.00 C ATOM 452 OE1 GLN A 31 11.345 4.196 0.058 1.00 0.00 O ATOM 453 NE2 GLN A 31 11.459 2.990 1.949 1.00 0.00 N ATOM 0 H GLN A 31 8.512 0.265 -0.215 1.00 0.00 H new ATOM 0 HA GLN A 31 6.416 2.157 0.683 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.331 3.840 0.419 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.412 2.758 1.795 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.028 1.331 0.636 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.878 2.287 -0.824 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.103 2.201 2.489 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.204 3.574 2.329 1.00 0.00 H new ATOM 462 N PHE A 32 6.172 3.302 -1.542 1.00 0.00 N ATOM 463 CA PHE A 32 5.847 3.771 -2.884 1.00 0.00 C ATOM 464 C PHE A 32 5.393 5.227 -2.856 1.00 0.00 C ATOM 465 O PHE A 32 4.959 5.735 -1.822 1.00 0.00 O ATOM 466 CB PHE A 32 4.755 2.896 -3.502 1.00 0.00 C ATOM 467 CG PHE A 32 5.223 2.100 -4.687 1.00 0.00 C ATOM 468 CD1 PHE A 32 5.868 0.886 -4.512 1.00 0.00 C ATOM 469 CD2 PHE A 32 5.019 2.567 -5.976 1.00 0.00 C ATOM 470 CE1 PHE A 32 6.301 0.152 -5.601 1.00 0.00 C ATOM 471 CE2 PHE A 32 5.449 1.836 -7.068 1.00 0.00 C ATOM 472 CZ PHE A 32 6.091 0.628 -6.880 1.00 0.00 C ATOM 0 H PHE A 32 5.641 3.754 -0.798 1.00 0.00 H new ATOM 0 HA PHE A 32 6.747 3.701 -3.494 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.375 2.213 -2.743 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.922 3.530 -3.806 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.034 0.509 -3.514 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.519 3.512 -6.129 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.803 -0.793 -5.451 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.283 2.210 -8.068 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.428 0.056 -7.732 1.00 0.00 H new ATOM 482 N LYS A 33 5.497 5.895 -4.000 1.00 0.00 N ATOM 483 CA LYS A 33 5.097 7.292 -4.110 1.00 0.00 C ATOM 484 C LYS A 33 4.064 7.477 -5.217 1.00 0.00 C ATOM 485 O LYS A 33 4.207 6.930 -6.310 1.00 0.00 O ATOM 486 CB LYS A 33 6.318 8.173 -4.385 1.00 0.00 C ATOM 487 CG LYS A 33 6.167 9.597 -3.879 1.00 0.00 C ATOM 488 CD LYS A 33 5.593 10.511 -4.949 1.00 0.00 C ATOM 489 CE LYS A 33 5.696 11.974 -4.546 1.00 0.00 C ATOM 490 NZ LYS A 33 7.078 12.501 -4.720 1.00 0.00 N ATOM 0 H LYS A 33 5.856 5.490 -4.865 1.00 0.00 H new ATOM 0 HA LYS A 33 4.646 7.591 -3.163 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.194 7.722 -3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.505 8.196 -5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.517 9.606 -3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.138 9.975 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.124 10.353 -5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.549 10.254 -5.127 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.004 12.565 -5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.393 12.086 -3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.092 13.517 -4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.724 11.998 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.384 12.356 -5.703 1.00 0.00 H new ATOM 504 N ILE A 34 3.025 8.253 -4.926 1.00 0.00 N ATOM 505 CA ILE A 34 1.970 8.512 -5.898 1.00 0.00 C ATOM 506 C ILE A 34 1.177 9.761 -5.529 1.00 0.00 C ATOM 507 O ILE A 34 1.294 10.279 -4.418 1.00 0.00 O ATOM 508 CB ILE A 34 1.003 7.318 -6.011 1.00 0.00 C ATOM 509 CG1 ILE A 34 0.345 7.295 -7.392 1.00 0.00 C ATOM 510 CG2 ILE A 34 -0.051 7.386 -4.916 1.00 0.00 C ATOM 511 CD1 ILE A 34 0.283 5.916 -8.009 1.00 0.00 C ATOM 0 H ILE A 34 2.891 8.713 -4.025 1.00 0.00 H new ATOM 0 HA ILE A 34 2.458 8.666 -6.860 1.00 0.00 H new ATOM 0 HB ILE A 34 1.570 6.396 -5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.666 7.693 -7.310 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.896 7.958 -8.059 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.727 6.536 -5.009 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.435 7.359 -3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.617 8.312 -5.013 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.196 5.976 -8.986 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.293 5.523 -8.123 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.293 5.254 -7.363 1.00 0.00 H new ATOM 523 N LYS A 35 0.368 10.240 -6.468 1.00 0.00 N ATOM 524 CA LYS A 35 -0.448 11.427 -6.243 1.00 0.00 C ATOM 525 C LYS A 35 -1.460 11.188 -5.127 1.00 0.00 C ATOM 526 O LYS A 35 -1.380 10.192 -4.407 1.00 0.00 O ATOM 527 CB LYS A 35 -1.176 11.823 -7.530 1.00 0.00 C ATOM 528 CG LYS A 35 -0.264 11.913 -8.741 1.00 0.00 C ATOM 529 CD LYS A 35 -1.046 12.223 -10.006 1.00 0.00 C ATOM 530 CE LYS A 35 -0.147 12.793 -11.092 1.00 0.00 C ATOM 531 NZ LYS A 35 -0.882 12.994 -12.372 1.00 0.00 N ATOM 0 H LYS A 35 0.260 9.824 -7.393 1.00 0.00 H new ATOM 0 HA LYS A 35 0.213 12.240 -5.942 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.963 11.096 -7.731 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.663 12.786 -7.380 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.485 12.687 -8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.272 10.972 -8.865 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.526 11.315 -10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.840 12.935 -9.779 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.268 13.744 -10.758 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.694 12.120 -11.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.295 13.551 -13.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.094 12.070 -12.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.770 13.502 -12.186 1.00 0.00 H new ATOM 545 N ARG A 36 -2.411 12.105 -4.990 1.00 0.00 N ATOM 546 CA ARG A 36 -3.439 11.993 -3.962 1.00 0.00 C ATOM 547 C ARG A 36 -4.742 11.463 -4.552 1.00 0.00 C ATOM 548 O ARG A 36 -5.628 11.013 -3.824 1.00 0.00 O ATOM 549 CB ARG A 36 -3.681 13.352 -3.302 1.00 0.00 C ATOM 550 CG ARG A 36 -4.798 13.339 -2.272 1.00 0.00 C ATOM 551 CD ARG A 36 -4.920 14.679 -1.564 1.00 0.00 C ATOM 552 NE ARG A 36 -3.639 15.132 -1.028 1.00 0.00 N ATOM 553 CZ ARG A 36 -3.400 16.385 -0.657 1.00 0.00 C ATOM 554 NH1 ARG A 36 -4.349 17.304 -0.764 1.00 0.00 N ATOM 555 NH2 ARG A 36 -2.209 16.720 -0.178 1.00 0.00 N ATOM 0 H ARG A 36 -2.491 12.935 -5.578 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.088 11.288 -3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.760 13.682 -2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.919 14.084 -4.074 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.742 13.097 -2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.609 12.555 -1.539 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.305 15.424 -2.261 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.644 14.596 -0.753 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.887 14.449 -0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.266 17.050 -1.132 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.163 18.265 -0.478 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.476 16.015 -0.094 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.026 17.682 0.107 1.00 0.00 H new ATOM 569 N HIS A 37 -4.854 11.520 -5.876 1.00 0.00 N ATOM 570 CA HIS A 37 -6.049 11.045 -6.564 1.00 0.00 C ATOM 571 C HIS A 37 -5.712 9.895 -7.508 1.00 0.00 C ATOM 572 O HIS A 37 -5.955 9.975 -8.712 1.00 0.00 O ATOM 573 CB HIS A 37 -6.701 12.187 -7.344 1.00 0.00 C ATOM 574 CG HIS A 37 -8.042 11.836 -7.910 1.00 0.00 C ATOM 575 ND1 HIS A 37 -8.463 12.244 -9.158 1.00 0.00 N ATOM 576 CD2 HIS A 37 -9.060 11.109 -7.391 1.00 0.00 C ATOM 577 CE1 HIS A 37 -9.681 11.785 -9.382 1.00 0.00 C ATOM 578 NE2 HIS A 37 -10.066 11.093 -8.325 1.00 0.00 N ATOM 0 H HIS A 37 -4.131 11.890 -6.493 1.00 0.00 H new ATOM 0 HA HIS A 37 -6.750 10.681 -5.813 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.808 13.050 -6.687 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -6.039 12.485 -8.157 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -9.077 10.631 -6.423 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.263 11.948 -10.277 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -10.965 10.623 -8.220 1.00 0.00 H new ATOM 586 N THR A 38 -5.149 8.826 -6.953 1.00 0.00 N ATOM 587 CA THR A 38 -4.777 7.661 -7.746 1.00 0.00 C ATOM 588 C THR A 38 -5.515 6.414 -7.271 1.00 0.00 C ATOM 589 O THR A 38 -5.778 6.234 -6.082 1.00 0.00 O ATOM 590 CB THR A 38 -3.260 7.400 -7.683 1.00 0.00 C ATOM 591 OG1 THR A 38 -2.783 6.974 -8.964 1.00 0.00 O ATOM 592 CG2 THR A 38 -2.936 6.343 -6.638 1.00 0.00 C ATOM 0 H THR A 38 -4.941 8.743 -5.958 1.00 0.00 H new ATOM 0 HA THR A 38 -5.059 7.877 -8.776 1.00 0.00 H new ATOM 0 HB THR A 38 -2.765 8.329 -7.402 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.916 7.392 -9.146 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.859 6.175 -6.612 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.274 6.683 -5.659 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.442 5.412 -6.893 1.00 0.00 H new ATOM 600 N PRO A 39 -5.859 5.532 -8.221 1.00 0.00 N ATOM 601 CA PRO A 39 -6.571 4.286 -7.923 1.00 0.00 C ATOM 602 C PRO A 39 -5.700 3.285 -7.171 1.00 0.00 C ATOM 603 O PRO A 39 -4.593 2.962 -7.603 1.00 0.00 O ATOM 604 CB PRO A 39 -6.933 3.744 -9.308 1.00 0.00 C ATOM 605 CG PRO A 39 -5.911 4.328 -10.222 1.00 0.00 C ATOM 606 CD PRO A 39 -5.578 5.682 -9.659 1.00 0.00 C ATOM 0 HA PRO A 39 -7.433 4.454 -7.277 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.905 2.655 -9.327 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.940 4.042 -9.599 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.024 3.696 -10.270 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.298 4.412 -11.238 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.536 5.947 -9.839 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.189 6.465 -10.108 1.00 0.00 H new ATOM 614 N LEU A 40 -6.206 2.798 -6.043 1.00 0.00 N ATOM 615 CA LEU A 40 -5.473 1.833 -5.230 1.00 0.00 C ATOM 616 C LEU A 40 -4.988 0.663 -6.079 1.00 0.00 C ATOM 617 O LEU A 40 -4.003 0.006 -5.743 1.00 0.00 O ATOM 618 CB LEU A 40 -6.357 1.321 -4.092 1.00 0.00 C ATOM 619 CG LEU A 40 -6.895 2.381 -3.130 1.00 0.00 C ATOM 620 CD1 LEU A 40 -7.763 1.738 -2.059 1.00 0.00 C ATOM 621 CD2 LEU A 40 -5.749 3.156 -2.496 1.00 0.00 C ATOM 0 H LEU A 40 -7.120 3.055 -5.671 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.603 2.336 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.204 0.791 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.787 0.592 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.511 3.080 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.137 2.507 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.604 1.228 -2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.171 1.017 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.150 3.906 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.107 2.470 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.167 3.648 -3.276 1.00 0.00 H new ATOM 633 N SER A 41 -5.685 0.409 -7.182 1.00 0.00 N ATOM 634 CA SER A 41 -5.327 -0.683 -8.079 1.00 0.00 C ATOM 635 C SER A 41 -3.875 -0.560 -8.531 1.00 0.00 C ATOM 636 O SER A 41 -3.232 -1.553 -8.874 1.00 0.00 O ATOM 637 CB SER A 41 -6.252 -0.695 -9.297 1.00 0.00 C ATOM 638 OG SER A 41 -5.689 0.036 -10.373 1.00 0.00 O ATOM 0 H SER A 41 -6.501 0.945 -7.476 1.00 0.00 H new ATOM 0 HA SER A 41 -5.443 -1.620 -7.535 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.435 -1.723 -9.608 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.218 -0.267 -9.028 1.00 0.00 H new ATOM 0 HG SER A 41 -6.299 0.011 -11.140 1.00 0.00 H new ATOM 644 N LYS A 42 -3.362 0.666 -8.528 1.00 0.00 N ATOM 645 CA LYS A 42 -1.986 0.921 -8.936 1.00 0.00 C ATOM 646 C LYS A 42 -1.021 -0.005 -8.203 1.00 0.00 C ATOM 647 O LYS A 42 -0.400 -0.879 -8.811 1.00 0.00 O ATOM 648 CB LYS A 42 -1.614 2.381 -8.664 1.00 0.00 C ATOM 649 CG LYS A 42 -1.502 3.224 -9.922 1.00 0.00 C ATOM 650 CD LYS A 42 -0.055 3.563 -10.239 1.00 0.00 C ATOM 651 CE LYS A 42 0.463 2.750 -11.415 1.00 0.00 C ATOM 652 NZ LYS A 42 -0.317 3.010 -12.656 1.00 0.00 N ATOM 0 H LYS A 42 -3.879 1.499 -8.247 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.908 0.725 -10.005 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.364 2.822 -8.007 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.664 2.412 -8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.943 2.687 -10.762 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.073 4.144 -9.797 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.030 4.626 -10.465 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.565 3.373 -9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.512 2.990 -11.588 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.415 1.689 -11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.303 2.902 -13.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.103 2.332 -12.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.697 3.978 -12.631 1.00 0.00 H new ATOM 666 N LEU A 43 -0.899 0.189 -6.895 1.00 0.00 N ATOM 667 CA LEU A 43 -0.010 -0.630 -6.078 1.00 0.00 C ATOM 668 C LEU A 43 -0.621 -2.003 -5.819 1.00 0.00 C ATOM 669 O LEU A 43 0.090 -3.004 -5.731 1.00 0.00 O ATOM 670 CB LEU A 43 0.284 0.069 -4.750 1.00 0.00 C ATOM 671 CG LEU A 43 -0.923 0.662 -4.022 1.00 0.00 C ATOM 672 CD1 LEU A 43 -0.808 0.431 -2.523 1.00 0.00 C ATOM 673 CD2 LEU A 43 -1.052 2.147 -4.326 1.00 0.00 C ATOM 0 H LEU A 43 -1.405 0.907 -6.377 1.00 0.00 H new ATOM 0 HA LEU A 43 0.924 -0.765 -6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.769 -0.646 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.001 0.869 -4.934 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.822 0.159 -4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.676 0.860 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.765 -0.639 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.099 0.907 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.916 2.552 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.151 2.665 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.181 2.289 -5.399 1.00 0.00 H new ATOM 685 N MET A 44 -1.944 -2.044 -5.698 1.00 0.00 N ATOM 686 CA MET A 44 -2.651 -3.295 -5.452 1.00 0.00 C ATOM 687 C MET A 44 -2.367 -4.307 -6.558 1.00 0.00 C ATOM 688 O MET A 44 -1.731 -5.335 -6.325 1.00 0.00 O ATOM 689 CB MET A 44 -4.157 -3.043 -5.349 1.00 0.00 C ATOM 690 CG MET A 44 -4.902 -4.122 -4.580 1.00 0.00 C ATOM 691 SD MET A 44 -6.674 -4.116 -4.915 1.00 0.00 S ATOM 692 CE MET A 44 -7.186 -5.603 -4.057 1.00 0.00 C ATOM 0 H MET A 44 -2.548 -1.225 -5.766 1.00 0.00 H new ATOM 0 HA MET A 44 -2.293 -3.706 -4.508 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.324 -2.081 -4.864 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.574 -2.970 -6.353 1.00 0.00 H new ATOM 0 HG2 MET A 44 -4.490 -5.097 -4.839 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.738 -3.981 -3.512 1.00 0.00 H new ATOM 0 HE1 MET A 44 -8.262 -5.737 -4.172 1.00 0.00 H new ATOM 0 HE2 MET A 44 -6.666 -6.463 -4.478 1.00 0.00 H new ATOM 0 HE3 MET A 44 -6.942 -5.514 -2.998 1.00 0.00 H new ATOM 702 N LYS A 45 -2.843 -4.009 -7.762 1.00 0.00 N ATOM 703 CA LYS A 45 -2.639 -4.891 -8.905 1.00 0.00 C ATOM 704 C LYS A 45 -1.168 -5.266 -9.048 1.00 0.00 C ATOM 705 O LYS A 45 -0.833 -6.428 -9.276 1.00 0.00 O ATOM 706 CB LYS A 45 -3.132 -4.219 -10.189 1.00 0.00 C ATOM 707 CG LYS A 45 -4.634 -3.989 -10.217 1.00 0.00 C ATOM 708 CD LYS A 45 -5.059 -3.232 -11.464 1.00 0.00 C ATOM 709 CE LYS A 45 -4.816 -4.051 -12.722 1.00 0.00 C ATOM 710 NZ LYS A 45 -5.545 -3.494 -13.895 1.00 0.00 N ATOM 0 H LYS A 45 -3.373 -3.163 -7.972 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.213 -5.802 -8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.624 -3.262 -10.306 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.851 -4.836 -11.043 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.151 -4.948 -10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.934 -3.430 -9.331 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.116 -2.976 -11.393 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.508 -2.294 -11.527 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.748 -4.078 -12.937 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.133 -5.080 -12.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.354 -4.080 -14.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.567 -3.492 -13.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.224 -2.521 -14.073 1.00 0.00 H new ATOM 724 N ALA A 46 -0.293 -4.274 -8.912 1.00 0.00 N ATOM 725 CA ALA A 46 1.142 -4.501 -9.023 1.00 0.00 C ATOM 726 C ALA A 46 1.622 -5.501 -7.977 1.00 0.00 C ATOM 727 O ALA A 46 2.383 -6.419 -8.284 1.00 0.00 O ATOM 728 CB ALA A 46 1.897 -3.187 -8.884 1.00 0.00 C ATOM 0 H ALA A 46 -0.554 -3.306 -8.725 1.00 0.00 H new ATOM 0 HA ALA A 46 1.343 -4.921 -10.009 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.968 -3.372 -8.969 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.583 -2.502 -9.672 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.681 -2.745 -7.911 1.00 0.00 H new ATOM 734 N TYR A 47 1.174 -5.317 -6.740 1.00 0.00 N ATOM 735 CA TYR A 47 1.561 -6.202 -5.647 1.00 0.00 C ATOM 736 C TYR A 47 1.353 -7.664 -6.031 1.00 0.00 C ATOM 737 O TYR A 47 2.270 -8.480 -5.933 1.00 0.00 O ATOM 738 CB TYR A 47 0.756 -5.874 -4.388 1.00 0.00 C ATOM 739 CG TYR A 47 0.993 -6.840 -3.250 1.00 0.00 C ATOM 740 CD1 TYR A 47 2.259 -7.357 -3.002 1.00 0.00 C ATOM 741 CD2 TYR A 47 -0.050 -7.236 -2.421 1.00 0.00 C ATOM 742 CE1 TYR A 47 2.479 -8.240 -1.963 1.00 0.00 C ATOM 743 CE2 TYR A 47 0.161 -8.118 -1.379 1.00 0.00 C ATOM 744 CZ TYR A 47 1.427 -8.618 -1.154 1.00 0.00 C ATOM 745 OH TYR A 47 1.643 -9.497 -0.118 1.00 0.00 O ATOM 0 H TYR A 47 0.543 -4.563 -6.469 1.00 0.00 H new ATOM 0 HA TYR A 47 2.620 -6.046 -5.444 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.009 -4.867 -4.057 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.305 -5.871 -4.636 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.085 -7.063 -3.633 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.043 -6.847 -2.595 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.469 -8.633 -1.785 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.661 -8.415 -0.744 1.00 0.00 H new ATOM 0 HH TYR A 47 0.800 -9.659 0.355 1.00 0.00 H new ATOM 755 N CYS A 48 0.141 -7.987 -6.468 1.00 0.00 N ATOM 756 CA CYS A 48 -0.190 -9.351 -6.866 1.00 0.00 C ATOM 757 C CYS A 48 0.839 -9.894 -7.852 1.00 0.00 C ATOM 758 O CYS A 48 1.349 -11.001 -7.685 1.00 0.00 O ATOM 759 CB CYS A 48 -1.586 -9.398 -7.490 1.00 0.00 C ATOM 760 SG CYS A 48 -2.928 -9.078 -6.321 1.00 0.00 S ATOM 0 H CYS A 48 -0.629 -7.323 -6.556 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.178 -9.977 -5.974 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.637 -8.665 -8.295 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.738 -10.378 -7.941 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.068 -9.137 -6.943 1.00 0.00 H new ATOM 766 N GLU A 49 1.138 -9.107 -8.881 1.00 0.00 N ATOM 767 CA GLU A 49 2.105 -9.511 -9.896 1.00 0.00 C ATOM 768 C GLU A 49 3.407 -9.976 -9.251 1.00 0.00 C ATOM 769 O GLU A 49 4.089 -10.859 -9.772 1.00 0.00 O ATOM 770 CB GLU A 49 2.383 -8.353 -10.856 1.00 0.00 C ATOM 771 CG GLU A 49 3.143 -8.767 -12.105 1.00 0.00 C ATOM 772 CD GLU A 49 2.286 -9.560 -13.073 1.00 0.00 C ATOM 773 OE1 GLU A 49 2.146 -10.785 -12.876 1.00 0.00 O ATOM 774 OE2 GLU A 49 1.756 -8.955 -14.028 1.00 0.00 O ATOM 0 H GLU A 49 0.725 -8.187 -9.034 1.00 0.00 H new ATOM 0 HA GLU A 49 1.680 -10.344 -10.457 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.436 -7.901 -11.150 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.953 -7.586 -10.331 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.523 -7.877 -12.607 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.008 -9.365 -11.818 1.00 0.00 H new ATOM 781 N ARG A 50 3.747 -9.374 -8.116 1.00 0.00 N ATOM 782 CA ARG A 50 4.968 -9.725 -7.400 1.00 0.00 C ATOM 783 C ARG A 50 4.730 -10.907 -6.465 1.00 0.00 C ATOM 784 O ARG A 50 5.246 -12.001 -6.689 1.00 0.00 O ATOM 785 CB ARG A 50 5.479 -8.524 -6.603 1.00 0.00 C ATOM 786 CG ARG A 50 6.950 -8.623 -6.230 1.00 0.00 C ATOM 787 CD ARG A 50 7.139 -9.309 -4.886 1.00 0.00 C ATOM 788 NE ARG A 50 8.544 -9.360 -4.491 1.00 0.00 N ATOM 789 CZ ARG A 50 9.403 -10.264 -4.948 1.00 0.00 C ATOM 790 NH1 ARG A 50 9.003 -11.187 -5.812 1.00 0.00 N ATOM 791 NH2 ARG A 50 10.666 -10.246 -4.541 1.00 0.00 N ATOM 0 H ARG A 50 3.194 -8.641 -7.672 1.00 0.00 H new ATOM 0 HA ARG A 50 5.721 -10.012 -8.134 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.321 -7.617 -7.187 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.888 -8.424 -5.693 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.485 -9.177 -7.001 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.385 -7.624 -6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.567 -8.778 -4.125 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.740 -10.322 -4.937 1.00 0.00 H new ATOM 0 HE ARG A 50 8.884 -8.663 -3.828 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.033 -11.204 -6.127 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.665 -11.880 -6.161 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.978 -9.538 -3.877 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.325 -10.941 -4.892 1.00 0.00 H new ATOM 805 N GLN A 51 3.945 -10.677 -5.417 1.00 0.00 N ATOM 806 CA GLN A 51 3.640 -11.722 -4.448 1.00 0.00 C ATOM 807 C GLN A 51 2.161 -12.091 -4.491 1.00 0.00 C ATOM 808 O GLN A 51 1.426 -11.863 -3.532 1.00 0.00 O ATOM 809 CB GLN A 51 4.023 -11.268 -3.038 1.00 0.00 C ATOM 810 CG GLN A 51 5.467 -11.573 -2.672 1.00 0.00 C ATOM 811 CD GLN A 51 5.662 -11.768 -1.181 1.00 0.00 C ATOM 812 OE1 GLN A 51 4.709 -12.037 -0.449 1.00 0.00 O ATOM 813 NE2 GLN A 51 6.901 -11.635 -0.723 1.00 0.00 N ATOM 0 H GLN A 51 3.509 -9.777 -5.218 1.00 0.00 H new ATOM 0 HA GLN A 51 4.224 -12.605 -4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.854 -10.195 -2.952 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.364 -11.753 -2.318 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.789 -12.472 -3.197 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.105 -10.758 -3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.661 -11.411 -1.366 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.093 -11.756 0.271 1.00 0.00 H new ATOM 822 N GLY A 52 1.731 -12.661 -5.613 1.00 0.00 N ATOM 823 CA GLY A 52 0.341 -13.052 -5.761 1.00 0.00 C ATOM 824 C GLY A 52 0.044 -14.393 -5.120 1.00 0.00 C ATOM 825 O GLY A 52 -0.192 -15.382 -5.814 1.00 0.00 O ATOM 0 H GLY A 52 2.320 -12.859 -6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.297 -12.290 -5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.090 -13.096 -6.821 1.00 0.00 H new ATOM 829 N LEU A 53 0.057 -14.428 -3.792 1.00 0.00 N ATOM 830 CA LEU A 53 -0.211 -15.659 -3.057 1.00 0.00 C ATOM 831 C LEU A 53 -1.593 -15.618 -2.412 1.00 0.00 C ATOM 832 O LEU A 53 -1.883 -16.384 -1.493 1.00 0.00 O ATOM 833 CB LEU A 53 0.858 -15.880 -1.985 1.00 0.00 C ATOM 834 CG LEU A 53 1.377 -14.623 -1.286 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.245 -13.908 -0.564 1.00 0.00 C ATOM 836 CD2 LEU A 53 2.493 -14.977 -0.314 1.00 0.00 C ATOM 0 H LEU A 53 0.250 -13.618 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.184 -16.488 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.452 -16.551 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.704 -16.392 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 53 1.780 -13.949 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.633 -13.016 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.522 -13.621 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.189 -14.574 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.851 -14.071 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.115 -15.670 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.314 -15.445 -0.857 1.00 0.00 H new ATOM 848 N SER A 54 -2.442 -14.720 -2.901 1.00 0.00 N ATOM 849 CA SER A 54 -3.793 -14.578 -2.371 1.00 0.00 C ATOM 850 C SER A 54 -4.698 -13.868 -3.374 1.00 0.00 C ATOM 851 O SER A 54 -4.514 -12.687 -3.665 1.00 0.00 O ATOM 852 CB SER A 54 -3.768 -13.802 -1.053 1.00 0.00 C ATOM 853 OG SER A 54 -3.466 -14.657 0.036 1.00 0.00 O ATOM 0 H SER A 54 -2.218 -14.080 -3.663 1.00 0.00 H new ATOM 0 HA SER A 54 -4.192 -15.576 -2.190 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.026 -13.005 -1.110 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.735 -13.326 -0.889 1.00 0.00 H new ATOM 0 HG SER A 54 -2.941 -15.421 -0.283 1.00 0.00 H new ATOM 859 N MET A 55 -5.675 -14.600 -3.900 1.00 0.00 N ATOM 860 CA MET A 55 -6.610 -14.041 -4.870 1.00 0.00 C ATOM 861 C MET A 55 -7.845 -13.478 -4.173 1.00 0.00 C ATOM 862 O MET A 55 -8.480 -12.548 -4.670 1.00 0.00 O ATOM 863 CB MET A 55 -7.025 -15.108 -5.884 1.00 0.00 C ATOM 864 CG MET A 55 -5.860 -15.928 -6.414 1.00 0.00 C ATOM 865 SD MET A 55 -6.348 -17.059 -7.731 1.00 0.00 S ATOM 866 CE MET A 55 -6.574 -18.577 -6.807 1.00 0.00 C ATOM 0 H MET A 55 -5.840 -15.580 -3.671 1.00 0.00 H new ATOM 0 HA MET A 55 -6.108 -13.228 -5.394 1.00 0.00 H new ATOM 0 HB2 MET A 55 -7.748 -15.778 -5.419 1.00 0.00 H new ATOM 0 HB3 MET A 55 -7.530 -14.625 -6.721 1.00 0.00 H new ATOM 0 HG2 MET A 55 -5.087 -15.255 -6.786 1.00 0.00 H new ATOM 0 HG3 MET A 55 -5.420 -16.498 -5.596 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.878 -19.374 -7.485 1.00 0.00 H new ATOM 0 HE2 MET A 55 -5.637 -18.851 -6.322 1.00 0.00 H new ATOM 0 HE3 MET A 55 -7.345 -18.431 -6.050 1.00 0.00 H new ATOM 876 N ARG A 56 -8.180 -14.048 -3.020 1.00 0.00 N ATOM 877 CA ARG A 56 -9.339 -13.604 -2.256 1.00 0.00 C ATOM 878 C ARG A 56 -8.951 -13.284 -0.816 1.00 0.00 C ATOM 879 O ARG A 56 -9.794 -13.297 0.081 1.00 0.00 O ATOM 880 CB ARG A 56 -10.430 -14.677 -2.275 1.00 0.00 C ATOM 881 CG ARG A 56 -10.941 -15.001 -3.670 1.00 0.00 C ATOM 882 CD ARG A 56 -11.686 -16.327 -3.695 1.00 0.00 C ATOM 883 NE ARG A 56 -10.793 -17.452 -3.958 1.00 0.00 N ATOM 884 CZ ARG A 56 -11.163 -18.723 -3.855 1.00 0.00 C ATOM 885 NH1 ARG A 56 -12.403 -19.030 -3.498 1.00 0.00 N ATOM 886 NH2 ARG A 56 -10.293 -19.692 -4.110 1.00 0.00 N ATOM 0 H ARG A 56 -7.665 -14.819 -2.595 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.723 -12.696 -2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.041 -15.587 -1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.266 -14.345 -1.659 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.602 -14.204 -4.011 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.103 -15.040 -4.366 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.188 -16.479 -2.740 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.461 -16.293 -4.461 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.833 -17.250 -4.236 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.076 -18.289 -3.302 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.684 -20.007 -3.420 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.339 -19.461 -4.386 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.579 -20.668 -4.030 1.00 0.00 H new ATOM 900 N GLN A 57 -7.671 -12.997 -0.603 1.00 0.00 N ATOM 901 CA GLN A 57 -7.172 -12.674 0.729 1.00 0.00 C ATOM 902 C GLN A 57 -6.270 -11.445 0.689 1.00 0.00 C ATOM 903 O GLN A 57 -5.329 -11.328 1.474 1.00 0.00 O ATOM 904 CB GLN A 57 -6.407 -13.864 1.312 1.00 0.00 C ATOM 905 CG GLN A 57 -6.421 -13.911 2.831 1.00 0.00 C ATOM 906 CD GLN A 57 -7.525 -14.795 3.377 1.00 0.00 C ATOM 907 OE1 GLN A 57 -8.702 -14.435 3.338 1.00 0.00 O ATOM 908 NE2 GLN A 57 -7.150 -15.960 3.892 1.00 0.00 N ATOM 0 H GLN A 57 -6.961 -12.981 -1.335 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.028 -12.453 1.367 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.838 -14.787 0.924 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.374 -13.825 0.968 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.458 -14.276 3.188 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.543 -12.901 3.221 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.163 -16.218 3.904 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.849 -16.597 4.276 1.00 0.00 H new ATOM 917 N ILE A 58 -6.564 -10.531 -0.230 1.00 0.00 N ATOM 918 CA ILE A 58 -5.780 -9.311 -0.371 1.00 0.00 C ATOM 919 C ILE A 58 -6.674 -8.076 -0.337 1.00 0.00 C ATOM 920 O ILE A 58 -7.519 -7.884 -1.211 1.00 0.00 O ATOM 921 CB ILE A 58 -4.972 -9.309 -1.682 1.00 0.00 C ATOM 922 CG1 ILE A 58 -4.001 -10.491 -1.710 1.00 0.00 C ATOM 923 CG2 ILE A 58 -4.220 -7.996 -1.839 1.00 0.00 C ATOM 924 CD1 ILE A 58 -3.024 -10.498 -0.554 1.00 0.00 C ATOM 0 H ILE A 58 -7.339 -10.613 -0.888 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.090 -9.281 0.472 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.664 -9.411 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.571 -11.420 -1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.443 -10.471 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.654 -8.010 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.931 -7.170 -1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.536 -7.866 -1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.367 -11.363 -0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.428 -9.586 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.573 -10.550 0.386 1.00 0.00 H new ATOM 936 N ARG A 59 -6.481 -7.241 0.679 1.00 0.00 N ATOM 937 CA ARG A 59 -7.270 -6.023 0.827 1.00 0.00 C ATOM 938 C ARG A 59 -6.533 -4.999 1.685 1.00 0.00 C ATOM 939 O ARG A 59 -6.111 -5.299 2.803 1.00 0.00 O ATOM 940 CB ARG A 59 -8.629 -6.344 1.451 1.00 0.00 C ATOM 941 CG ARG A 59 -8.536 -7.167 2.725 1.00 0.00 C ATOM 942 CD ARG A 59 -9.893 -7.719 3.133 1.00 0.00 C ATOM 943 NE ARG A 59 -10.056 -7.753 4.584 1.00 0.00 N ATOM 944 CZ ARG A 59 -10.154 -6.663 5.338 1.00 0.00 C ATOM 945 NH1 ARG A 59 -10.106 -5.461 4.782 1.00 0.00 N ATOM 946 NH2 ARG A 59 -10.301 -6.776 6.652 1.00 0.00 N ATOM 0 H ARG A 59 -5.786 -7.385 1.411 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.424 -5.597 -0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.149 -5.411 1.669 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.235 -6.884 0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.837 -7.990 2.577 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.136 -6.550 3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.680 -7.106 2.694 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.011 -8.725 2.731 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.097 -8.663 5.044 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.994 -5.370 3.772 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.182 -4.627 5.364 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.339 -7.700 7.083 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.376 -5.939 7.231 1.00 0.00 H new ATOM 960 N PHE A 60 -6.381 -3.790 1.155 1.00 0.00 N ATOM 961 CA PHE A 60 -5.693 -2.722 1.871 1.00 0.00 C ATOM 962 C PHE A 60 -6.598 -2.114 2.939 1.00 0.00 C ATOM 963 O PHE A 60 -7.699 -1.649 2.644 1.00 0.00 O ATOM 964 CB PHE A 60 -5.236 -1.637 0.895 1.00 0.00 C ATOM 965 CG PHE A 60 -3.909 -1.928 0.253 1.00 0.00 C ATOM 966 CD1 PHE A 60 -2.731 -1.778 0.968 1.00 0.00 C ATOM 967 CD2 PHE A 60 -3.840 -2.352 -1.064 1.00 0.00 C ATOM 968 CE1 PHE A 60 -1.510 -2.044 0.379 1.00 0.00 C ATOM 969 CE2 PHE A 60 -2.621 -2.621 -1.657 1.00 0.00 C ATOM 970 CZ PHE A 60 -1.454 -2.467 -0.934 1.00 0.00 C ATOM 0 H PHE A 60 -6.725 -3.525 0.232 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.819 -3.151 2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -5.989 -1.519 0.116 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.174 -0.686 1.424 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.768 -1.450 1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -4.749 -2.474 -1.634 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.599 -1.921 0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -2.581 -2.951 -2.684 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.500 -2.677 -1.395 1.00 0.00 H new ATOM 980 N ARG A 61 -6.125 -2.120 4.181 1.00 0.00 N ATOM 981 CA ARG A 61 -6.890 -1.571 5.293 1.00 0.00 C ATOM 982 C ARG A 61 -5.963 -1.026 6.376 1.00 0.00 C ATOM 983 O ARG A 61 -4.758 -1.277 6.359 1.00 0.00 O ATOM 984 CB ARG A 61 -7.809 -2.641 5.885 1.00 0.00 C ATOM 985 CG ARG A 61 -7.063 -3.820 6.486 1.00 0.00 C ATOM 986 CD ARG A 61 -7.815 -4.413 7.668 1.00 0.00 C ATOM 987 NE ARG A 61 -6.959 -5.261 8.492 1.00 0.00 N ATOM 988 CZ ARG A 61 -7.322 -5.742 9.676 1.00 0.00 C ATOM 989 NH1 ARG A 61 -8.519 -5.459 10.172 1.00 0.00 N ATOM 990 NH2 ARG A 61 -6.487 -6.508 10.367 1.00 0.00 N ATOM 0 H ARG A 61 -5.215 -2.499 4.442 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.497 -0.750 4.912 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.433 -2.187 6.654 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.478 -3.005 5.105 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.918 -4.586 5.725 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.072 -3.499 6.808 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.223 -3.608 8.279 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.660 -4.997 7.304 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.031 -5.497 8.139 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.164 -4.871 9.644 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.795 -5.830 11.081 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.565 -6.728 9.989 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.767 -6.877 11.276 1.00 0.00 H new ATOM 1004 N PHE A 62 -6.533 -0.280 7.315 1.00 0.00 N ATOM 1005 CA PHE A 62 -5.757 0.302 8.405 1.00 0.00 C ATOM 1006 C PHE A 62 -6.406 0.004 9.753 1.00 0.00 C ATOM 1007 O PHE A 62 -7.450 -0.644 9.822 1.00 0.00 O ATOM 1008 CB PHE A 62 -5.623 1.814 8.213 1.00 0.00 C ATOM 1009 CG PHE A 62 -6.902 2.481 7.793 1.00 0.00 C ATOM 1010 CD1 PHE A 62 -7.260 2.541 6.455 1.00 0.00 C ATOM 1011 CD2 PHE A 62 -7.745 3.048 8.734 1.00 0.00 C ATOM 1012 CE1 PHE A 62 -8.436 3.153 6.065 1.00 0.00 C ATOM 1013 CE2 PHE A 62 -8.923 3.661 8.350 1.00 0.00 C ATOM 1014 CZ PHE A 62 -9.268 3.715 7.013 1.00 0.00 C ATOM 0 H PHE A 62 -7.529 -0.064 7.344 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.764 -0.148 8.392 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.278 2.261 9.145 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.857 2.010 7.463 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.612 2.104 5.709 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.479 3.011 9.780 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.704 3.192 5.020 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.573 4.097 9.094 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.186 4.196 6.710 1.00 0.00 H new ATOM 1024 N ASP A 63 -5.779 0.482 10.823 1.00 0.00 N ATOM 1025 CA ASP A 63 -6.294 0.268 12.170 1.00 0.00 C ATOM 1026 C ASP A 63 -7.505 1.157 12.437 1.00 0.00 C ATOM 1027 O ASP A 63 -7.470 2.027 13.306 1.00 0.00 O ATOM 1028 CB ASP A 63 -5.204 0.546 13.206 1.00 0.00 C ATOM 1029 CG ASP A 63 -4.193 -0.580 13.299 1.00 0.00 C ATOM 1030 OD1 ASP A 63 -4.609 -1.757 13.241 1.00 0.00 O ATOM 1031 OD2 ASP A 63 -2.987 -0.285 13.429 1.00 0.00 O ATOM 0 H ASP A 63 -4.913 1.020 10.783 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.605 -0.773 12.252 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.690 1.472 12.948 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.665 0.698 14.182 1.00 0.00 H new ATOM 1036 N GLY A 64 -8.575 0.934 11.680 1.00 0.00 N ATOM 1037 CA GLY A 64 -9.781 1.723 11.849 1.00 0.00 C ATOM 1038 C GLY A 64 -10.935 1.205 11.014 1.00 0.00 C ATOM 1039 O GLY A 64 -12.080 1.197 11.465 1.00 0.00 O ATOM 0 H GLY A 64 -8.628 0.221 10.953 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.068 1.721 12.901 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.575 2.758 11.576 1.00 0.00 H new ATOM 1043 N GLN A 65 -10.634 0.774 9.794 1.00 0.00 N ATOM 1044 CA GLN A 65 -11.656 0.254 8.894 1.00 0.00 C ATOM 1045 C GLN A 65 -11.047 -0.159 7.558 1.00 0.00 C ATOM 1046 O GLN A 65 -9.975 0.303 7.168 1.00 0.00 O ATOM 1047 CB GLN A 65 -12.747 1.302 8.667 1.00 0.00 C ATOM 1048 CG GLN A 65 -12.207 2.710 8.476 1.00 0.00 C ATOM 1049 CD GLN A 65 -13.308 3.743 8.335 1.00 0.00 C ATOM 1050 OE1 GLN A 65 -13.933 3.861 7.281 1.00 0.00 O ATOM 1051 NE2 GLN A 65 -13.551 4.499 9.400 1.00 0.00 N ATOM 0 H GLN A 65 -9.691 0.775 9.406 1.00 0.00 H new ATOM 0 HA GLN A 65 -12.098 -0.627 9.359 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.330 1.023 7.789 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.428 1.295 9.518 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -11.576 2.971 9.325 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.574 2.735 7.589 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.008 4.367 10.254 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.280 5.211 9.364 1.00 0.00 H new ATOM 1060 N PRO A 66 -11.745 -1.051 6.839 1.00 0.00 N ATOM 1061 CA PRO A 66 -11.291 -1.547 5.536 1.00 0.00 C ATOM 1062 C PRO A 66 -11.358 -0.475 4.454 1.00 0.00 C ATOM 1063 O PRO A 66 -11.840 0.633 4.693 1.00 0.00 O ATOM 1064 CB PRO A 66 -12.272 -2.681 5.227 1.00 0.00 C ATOM 1065 CG PRO A 66 -13.502 -2.338 5.995 1.00 0.00 C ATOM 1066 CD PRO A 66 -13.031 -1.644 7.243 1.00 0.00 C ATOM 0 HA PRO A 66 -10.248 -1.862 5.560 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.478 -2.746 4.159 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.870 -3.647 5.534 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.158 -1.691 5.413 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.073 -3.234 6.239 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.739 -0.883 7.571 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -12.909 -2.343 8.070 1.00 0.00 H new ATOM 1074 N ILE A 67 -10.873 -0.812 3.264 1.00 0.00 N ATOM 1075 CA ILE A 67 -10.879 0.122 2.144 1.00 0.00 C ATOM 1076 C ILE A 67 -11.313 -0.568 0.855 1.00 0.00 C ATOM 1077 O ILE A 67 -11.111 -1.769 0.684 1.00 0.00 O ATOM 1078 CB ILE A 67 -9.492 0.756 1.932 1.00 0.00 C ATOM 1079 CG1 ILE A 67 -8.923 1.248 3.264 1.00 0.00 C ATOM 1080 CG2 ILE A 67 -9.580 1.900 0.933 1.00 0.00 C ATOM 1081 CD1 ILE A 67 -7.527 1.821 3.151 1.00 0.00 C ATOM 0 H ILE A 67 -10.471 -1.725 3.050 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.594 0.907 2.392 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.820 -0.002 1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.587 2.009 3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.911 0.420 3.973 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.592 2.338 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.947 1.522 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -10.264 2.660 1.310 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.188 2.150 4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.850 1.057 2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.536 2.670 2.468 1.00 0.00 H new ATOM 1093 N ASN A 68 -11.908 0.202 -0.050 1.00 0.00 N ATOM 1094 CA ASN A 68 -12.370 -0.335 -1.325 1.00 0.00 C ATOM 1095 C ASN A 68 -11.514 0.186 -2.476 1.00 0.00 C ATOM 1096 O ASN A 68 -11.094 1.342 -2.475 1.00 0.00 O ATOM 1097 CB ASN A 68 -13.836 0.034 -1.557 1.00 0.00 C ATOM 1098 CG ASN A 68 -14.667 -0.077 -0.293 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -14.381 -0.894 0.582 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -15.704 0.747 -0.193 1.00 0.00 N ATOM 0 H ASN A 68 -12.082 1.199 0.076 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.278 -1.420 -1.289 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.895 1.053 -1.939 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.255 -0.619 -2.323 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -16.300 0.718 0.634 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.904 1.409 -0.943 1.00 0.00 H new ATOM 1107 N GLU A 69 -11.262 -0.677 -3.456 1.00 0.00 N ATOM 1108 CA GLU A 69 -10.456 -0.303 -4.612 1.00 0.00 C ATOM 1109 C GLU A 69 -10.973 0.988 -5.241 1.00 0.00 C ATOM 1110 O GLU A 69 -10.196 1.876 -5.592 1.00 0.00 O ATOM 1111 CB GLU A 69 -10.463 -1.427 -5.650 1.00 0.00 C ATOM 1112 CG GLU A 69 -11.857 -1.844 -6.088 1.00 0.00 C ATOM 1113 CD GLU A 69 -11.867 -3.175 -6.814 1.00 0.00 C ATOM 1114 OE1 GLU A 69 -11.120 -3.316 -7.805 1.00 0.00 O ATOM 1115 OE2 GLU A 69 -12.622 -4.076 -6.392 1.00 0.00 O ATOM 0 H GLU A 69 -11.604 -1.638 -3.472 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.434 -0.137 -4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.898 -1.106 -6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.947 -2.294 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.505 -1.907 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.274 -1.076 -6.739 1.00 0.00 H new ATOM 1122 N THR A 70 -12.292 1.084 -5.381 1.00 0.00 N ATOM 1123 CA THR A 70 -12.913 2.264 -5.969 1.00 0.00 C ATOM 1124 C THR A 70 -12.560 3.521 -5.182 1.00 0.00 C ATOM 1125 O THR A 70 -12.241 4.559 -5.762 1.00 0.00 O ATOM 1126 CB THR A 70 -14.446 2.122 -6.027 1.00 0.00 C ATOM 1127 OG1 THR A 70 -14.809 0.737 -6.032 1.00 0.00 O ATOM 1128 CG2 THR A 70 -15.006 2.803 -7.266 1.00 0.00 C ATOM 0 H THR A 70 -12.950 0.359 -5.095 1.00 0.00 H new ATOM 0 HA THR A 70 -12.525 2.353 -6.984 1.00 0.00 H new ATOM 0 HB THR A 70 -14.868 2.605 -5.145 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.785 0.655 -6.067 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.090 2.689 -7.285 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.753 3.863 -7.245 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.577 2.345 -8.158 1.00 0.00 H new ATOM 1136 N ASP A 71 -12.619 3.421 -3.859 1.00 0.00 N ATOM 1137 CA ASP A 71 -12.304 4.550 -2.991 1.00 0.00 C ATOM 1138 C ASP A 71 -10.873 5.028 -3.219 1.00 0.00 C ATOM 1139 O ASP A 71 -9.962 4.223 -3.417 1.00 0.00 O ATOM 1140 CB ASP A 71 -12.498 4.164 -1.524 1.00 0.00 C ATOM 1141 CG ASP A 71 -13.918 3.727 -1.224 1.00 0.00 C ATOM 1142 OD1 ASP A 71 -14.752 3.742 -2.153 1.00 0.00 O ATOM 1143 OD2 ASP A 71 -14.196 3.371 -0.060 1.00 0.00 O ATOM 0 H ASP A 71 -12.882 2.569 -3.364 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.984 5.365 -3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.811 3.357 -1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.241 5.013 -0.891 1.00 0.00 H new ATOM 1148 N THR A 72 -10.681 6.343 -3.192 1.00 0.00 N ATOM 1149 CA THR A 72 -9.362 6.928 -3.398 1.00 0.00 C ATOM 1150 C THR A 72 -8.759 7.401 -2.080 1.00 0.00 C ATOM 1151 O THR A 72 -9.461 7.629 -1.095 1.00 0.00 O ATOM 1152 CB THR A 72 -9.421 8.114 -4.378 1.00 0.00 C ATOM 1153 OG1 THR A 72 -10.726 8.702 -4.359 1.00 0.00 O ATOM 1154 CG2 THR A 72 -9.082 7.665 -5.792 1.00 0.00 C ATOM 0 H THR A 72 -11.423 7.024 -3.029 1.00 0.00 H new ATOM 0 HA THR A 72 -8.732 6.147 -3.823 1.00 0.00 H new ATOM 0 HB THR A 72 -8.686 8.854 -4.062 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.754 9.456 -4.984 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.130 8.520 -6.467 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.076 7.245 -5.809 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.797 6.908 -6.114 1.00 0.00 H new ATOM 1162 N PRO A 73 -7.427 7.555 -2.060 1.00 0.00 N ATOM 1163 CA PRO A 73 -6.700 8.005 -0.869 1.00 0.00 C ATOM 1164 C PRO A 73 -6.972 9.469 -0.542 1.00 0.00 C ATOM 1165 O PRO A 73 -6.588 9.960 0.519 1.00 0.00 O ATOM 1166 CB PRO A 73 -5.232 7.806 -1.253 1.00 0.00 C ATOM 1167 CG PRO A 73 -5.217 7.880 -2.741 1.00 0.00 C ATOM 1168 CD PRO A 73 -6.528 7.302 -3.198 1.00 0.00 C ATOM 0 HA PRO A 73 -7.000 7.455 0.023 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.599 8.576 -0.812 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.857 6.845 -0.900 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.106 8.910 -3.079 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.378 7.317 -3.151 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.885 7.785 -4.107 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.444 6.237 -3.415 1.00 0.00 H new ATOM 1176 N ALA A 74 -7.638 10.162 -1.461 1.00 0.00 N ATOM 1177 CA ALA A 74 -7.963 11.569 -1.269 1.00 0.00 C ATOM 1178 C ALA A 74 -9.033 11.744 -0.196 1.00 0.00 C ATOM 1179 O ALA A 74 -8.923 12.617 0.665 1.00 0.00 O ATOM 1180 CB ALA A 74 -8.423 12.189 -2.580 1.00 0.00 C ATOM 0 H ALA A 74 -7.962 9.771 -2.345 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.061 12.081 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.662 13.240 -2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.628 12.106 -3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.309 11.665 -2.939 1.00 0.00 H new ATOM 1186 N GLN A 75 -10.066 10.910 -0.255 1.00 0.00 N ATOM 1187 CA GLN A 75 -11.155 10.975 0.712 1.00 0.00 C ATOM 1188 C GLN A 75 -10.990 9.909 1.790 1.00 0.00 C ATOM 1189 O GLN A 75 -11.950 9.544 2.470 1.00 0.00 O ATOM 1190 CB GLN A 75 -12.501 10.799 0.007 1.00 0.00 C ATOM 1191 CG GLN A 75 -13.665 11.434 0.752 1.00 0.00 C ATOM 1192 CD GLN A 75 -13.814 12.912 0.451 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -13.441 13.763 1.259 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -14.362 13.226 -0.717 1.00 0.00 N ATOM 0 H GLN A 75 -10.172 10.182 -0.962 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.127 11.955 1.188 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -12.439 11.233 -0.991 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.699 9.735 -0.120 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.587 10.918 0.485 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.523 11.298 1.824 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -14.657 12.488 -1.357 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.488 14.205 -0.975 1.00 0.00 H new ATOM 1203 N LEU A 76 -9.767 9.413 1.943 1.00 0.00 N ATOM 1204 CA LEU A 76 -9.475 8.388 2.939 1.00 0.00 C ATOM 1205 C LEU A 76 -8.502 8.912 3.990 1.00 0.00 C ATOM 1206 O LEU A 76 -8.423 8.379 5.096 1.00 0.00 O ATOM 1207 CB LEU A 76 -8.895 7.144 2.265 1.00 0.00 C ATOM 1208 CG LEU A 76 -9.904 6.070 1.855 1.00 0.00 C ATOM 1209 CD1 LEU A 76 -9.297 5.133 0.823 1.00 0.00 C ATOM 1210 CD2 LEU A 76 -10.377 5.290 3.073 1.00 0.00 C ATOM 0 H LEU A 76 -8.961 9.704 1.390 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.408 8.122 3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.348 7.459 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.170 6.693 2.942 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.767 6.562 1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.030 4.376 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.009 5.703 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.417 4.648 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.094 4.530 2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.524 4.809 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.852 5.971 3.779 1.00 0.00 H new ATOM 1222 N GLU A 77 -7.763 9.959 3.636 1.00 0.00 N ATOM 1223 CA GLU A 77 -6.796 10.554 4.549 1.00 0.00 C ATOM 1224 C GLU A 77 -5.701 9.554 4.911 1.00 0.00 C ATOM 1225 O GLU A 77 -5.399 9.348 6.086 1.00 0.00 O ATOM 1226 CB GLU A 77 -7.495 11.044 5.819 1.00 0.00 C ATOM 1227 CG GLU A 77 -8.730 11.887 5.548 1.00 0.00 C ATOM 1228 CD GLU A 77 -8.961 12.942 6.612 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -9.218 12.565 7.775 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -8.886 14.144 6.282 1.00 0.00 O ATOM 0 H GLU A 77 -7.816 10.412 2.724 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.335 11.404 4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.779 10.182 6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.789 11.628 6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.629 12.372 4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.603 11.237 5.490 1.00 0.00 H new ATOM 1237 N MET A 78 -5.113 8.936 3.893 1.00 0.00 N ATOM 1238 CA MET A 78 -4.052 7.957 4.103 1.00 0.00 C ATOM 1239 C MET A 78 -2.729 8.459 3.535 1.00 0.00 C ATOM 1240 O MET A 78 -2.077 7.768 2.753 1.00 0.00 O ATOM 1241 CB MET A 78 -4.425 6.622 3.456 1.00 0.00 C ATOM 1242 CG MET A 78 -4.741 6.733 1.974 1.00 0.00 C ATOM 1243 SD MET A 78 -5.557 5.261 1.326 1.00 0.00 S ATOM 1244 CE MET A 78 -4.145 4.301 0.785 1.00 0.00 C ATOM 0 H MET A 78 -5.353 9.095 2.914 1.00 0.00 H new ATOM 0 HA MET A 78 -3.934 7.811 5.177 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.603 5.919 3.592 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.289 6.206 3.973 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.379 7.601 1.806 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.817 6.905 1.421 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.455 3.274 0.593 1.00 0.00 H new ATOM 0 HE2 MET A 78 -3.739 4.735 -0.129 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.380 4.309 1.562 1.00 0.00 H new ATOM 1254 N GLU A 79 -2.338 9.666 3.932 1.00 0.00 N ATOM 1255 CA GLU A 79 -1.093 10.260 3.460 1.00 0.00 C ATOM 1256 C GLU A 79 -0.136 10.513 4.622 1.00 0.00 C ATOM 1257 O GLU A 79 -0.340 10.013 5.728 1.00 0.00 O ATOM 1258 CB GLU A 79 -1.374 11.571 2.722 1.00 0.00 C ATOM 1259 CG GLU A 79 -2.685 11.567 1.954 1.00 0.00 C ATOM 1260 CD GLU A 79 -2.933 12.869 1.217 1.00 0.00 C ATOM 1261 OE1 GLU A 79 -1.978 13.662 1.078 1.00 0.00 O ATOM 1262 OE2 GLU A 79 -4.081 13.095 0.780 1.00 0.00 O ATOM 0 H GLU A 79 -2.866 10.252 4.579 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.624 9.557 2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.387 12.389 3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.557 11.770 2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.680 10.744 1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.507 11.383 2.646 1.00 0.00 H new ATOM 1269 N ASP A 80 0.908 11.292 4.361 1.00 0.00 N ATOM 1270 CA ASP A 80 1.897 11.612 5.384 1.00 0.00 C ATOM 1271 C ASP A 80 2.615 10.353 5.859 1.00 0.00 C ATOM 1272 O ASP A 80 2.753 10.122 7.060 1.00 0.00 O ATOM 1273 CB ASP A 80 1.228 12.311 6.569 1.00 0.00 C ATOM 1274 CG ASP A 80 2.133 13.339 7.220 1.00 0.00 C ATOM 1275 OD1 ASP A 80 3.367 13.147 7.192 1.00 0.00 O ATOM 1276 OD2 ASP A 80 1.607 14.335 7.758 1.00 0.00 O ATOM 0 H ASP A 80 1.091 11.713 3.450 1.00 0.00 H new ATOM 0 HA ASP A 80 2.634 12.284 4.944 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.314 12.798 6.231 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.937 11.566 7.310 1.00 0.00 H new ATOM 1281 N GLU A 81 3.068 9.542 4.909 1.00 0.00 N ATOM 1282 CA GLU A 81 3.770 8.305 5.231 1.00 0.00 C ATOM 1283 C GLU A 81 2.842 7.322 5.940 1.00 0.00 C ATOM 1284 O GLU A 81 3.245 6.643 6.885 1.00 0.00 O ATOM 1285 CB GLU A 81 4.988 8.598 6.110 1.00 0.00 C ATOM 1286 CG GLU A 81 5.813 9.781 5.632 1.00 0.00 C ATOM 1287 CD GLU A 81 7.079 9.974 6.443 1.00 0.00 C ATOM 1288 OE1 GLU A 81 7.012 10.642 7.496 1.00 0.00 O ATOM 1289 OE2 GLU A 81 8.137 9.460 6.024 1.00 0.00 O ATOM 0 H GLU A 81 2.962 9.719 3.910 1.00 0.00 H new ATOM 0 HA GLU A 81 4.105 7.853 4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.652 8.788 7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.623 7.713 6.143 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.076 9.636 4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.209 10.687 5.687 1.00 0.00 H new ATOM 1296 N ASP A 82 1.599 7.252 5.477 1.00 0.00 N ATOM 1297 CA ASP A 82 0.613 6.353 6.066 1.00 0.00 C ATOM 1298 C ASP A 82 0.899 4.905 5.679 1.00 0.00 C ATOM 1299 O ASP A 82 1.130 4.598 4.509 1.00 0.00 O ATOM 1300 CB ASP A 82 -0.797 6.745 5.620 1.00 0.00 C ATOM 1301 CG ASP A 82 -1.823 6.566 6.721 1.00 0.00 C ATOM 1302 OD1 ASP A 82 -2.381 5.455 6.837 1.00 0.00 O ATOM 1303 OD2 ASP A 82 -2.068 7.537 7.467 1.00 0.00 O ATOM 0 H ASP A 82 1.250 7.807 4.696 1.00 0.00 H new ATOM 0 HA ASP A 82 0.679 6.440 7.150 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.796 7.785 5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.083 6.141 4.759 1.00 0.00 H new ATOM 1308 N THR A 83 0.882 4.019 6.669 1.00 0.00 N ATOM 1309 CA THR A 83 1.142 2.604 6.433 1.00 0.00 C ATOM 1310 C THR A 83 -0.150 1.796 6.463 1.00 0.00 C ATOM 1311 O THR A 83 -0.779 1.651 7.512 1.00 0.00 O ATOM 1312 CB THR A 83 2.117 2.030 7.478 1.00 0.00 C ATOM 1313 OG1 THR A 83 3.295 2.841 7.546 1.00 0.00 O ATOM 1314 CG2 THR A 83 2.500 0.599 7.132 1.00 0.00 C ATOM 0 H THR A 83 0.691 4.256 7.642 1.00 0.00 H new ATOM 0 HA THR A 83 1.594 2.526 5.444 1.00 0.00 H new ATOM 0 HB THR A 83 1.619 2.032 8.447 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.909 2.470 8.214 1.00 0.00 H new ATOM 0 HG21 THR A 83 3.189 0.215 7.884 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.604 -0.022 7.109 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.981 0.577 6.154 1.00 0.00 H new ATOM 1322 N ILE A 84 -0.541 1.271 5.306 1.00 0.00 N ATOM 1323 CA ILE A 84 -1.758 0.476 5.201 1.00 0.00 C ATOM 1324 C ILE A 84 -1.475 -0.999 5.467 1.00 0.00 C ATOM 1325 O ILE A 84 -0.870 -1.684 4.642 1.00 0.00 O ATOM 1326 CB ILE A 84 -2.407 0.620 3.812 1.00 0.00 C ATOM 1327 CG1 ILE A 84 -2.414 2.088 3.379 1.00 0.00 C ATOM 1328 CG2 ILE A 84 -3.821 0.060 3.827 1.00 0.00 C ATOM 1329 CD1 ILE A 84 -3.137 2.999 4.345 1.00 0.00 C ATOM 0 H ILE A 84 -0.033 1.382 4.429 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.448 0.854 5.956 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.820 0.050 3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.385 2.431 3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.882 2.167 2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.266 0.169 2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.791 -0.996 4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.420 0.605 4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.102 4.023 3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.176 2.681 4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.655 2.950 5.321 1.00 0.00 H new ATOM 1341 N ASP A 85 -1.918 -1.482 6.622 1.00 0.00 N ATOM 1342 CA ASP A 85 -1.716 -2.877 6.996 1.00 0.00 C ATOM 1343 C ASP A 85 -2.568 -3.801 6.131 1.00 0.00 C ATOM 1344 O ASP A 85 -3.791 -3.665 6.077 1.00 0.00 O ATOM 1345 CB ASP A 85 -2.054 -3.086 8.473 1.00 0.00 C ATOM 1346 CG ASP A 85 -0.943 -2.618 9.392 1.00 0.00 C ATOM 1347 OD1 ASP A 85 0.174 -3.169 9.302 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -1.191 -1.701 10.203 1.00 0.00 O ATOM 0 H ASP A 85 -2.420 -0.928 7.316 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.666 -3.122 6.833 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.971 -2.548 8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.249 -4.143 8.652 1.00 0.00 H new ATOM 1353 N VAL A 86 -1.914 -4.740 5.454 1.00 0.00 N ATOM 1354 CA VAL A 86 -2.612 -5.686 4.591 1.00 0.00 C ATOM 1355 C VAL A 86 -3.197 -6.838 5.400 1.00 0.00 C ATOM 1356 O VAL A 86 -2.696 -7.175 6.473 1.00 0.00 O ATOM 1357 CB VAL A 86 -1.675 -6.255 3.510 1.00 0.00 C ATOM 1358 CG1 VAL A 86 -0.826 -7.383 4.078 1.00 0.00 C ATOM 1359 CG2 VAL A 86 -2.476 -6.733 2.309 1.00 0.00 C ATOM 0 H VAL A 86 -0.902 -4.866 5.487 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.421 -5.138 4.108 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.006 -5.460 3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.170 -7.772 3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.224 -7.005 4.904 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.475 -8.181 4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.798 -7.132 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.170 -7.513 2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.035 -5.897 1.888 1.00 0.00 H new ATOM 1369 N PHE A 87 -4.260 -7.441 4.877 1.00 0.00 N ATOM 1370 CA PHE A 87 -4.915 -8.556 5.550 1.00 0.00 C ATOM 1371 C PHE A 87 -4.815 -9.830 4.715 1.00 0.00 C ATOM 1372 O PHE A 87 -5.457 -9.952 3.673 1.00 0.00 O ATOM 1373 CB PHE A 87 -6.383 -8.225 5.822 1.00 0.00 C ATOM 1374 CG PHE A 87 -6.977 -9.015 6.953 1.00 0.00 C ATOM 1375 CD1 PHE A 87 -6.346 -9.067 8.185 1.00 0.00 C ATOM 1376 CD2 PHE A 87 -8.166 -9.706 6.783 1.00 0.00 C ATOM 1377 CE1 PHE A 87 -6.890 -9.794 9.227 1.00 0.00 C ATOM 1378 CE2 PHE A 87 -8.715 -10.434 7.822 1.00 0.00 C ATOM 1379 CZ PHE A 87 -8.077 -10.478 9.046 1.00 0.00 C ATOM 0 H PHE A 87 -4.686 -7.176 3.989 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.406 -8.724 6.499 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.472 -7.162 6.046 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.962 -8.409 4.917 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.419 -8.534 8.333 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.669 -9.675 5.828 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.388 -9.828 10.182 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -9.642 -10.968 7.677 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.505 -11.045 9.859 1.00 0.00 H new