USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 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= -0.299 X(o=-0.3,f=0) USER MOD Set 1.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 144:sc= -0.0487 (180deg=0) USER MOD Set 2.2: A 31 GLN : amide:sc= -0.027 X(o=-0.076,f=-0.54) USER MOD Single : A 17 HIS : no HD1:sc= -0.476 X(o=-0.48,f=-0.55) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.232 K(o=-0.23,f=-1.9) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 145:sc= -0.222 (180deg=-1.63!) USER MOD Single : A 37 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.12) USER MOD Single : A 38 THR OG1 : rot 110:sc= -1.75 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0433 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -122:sc= -0.0015 (180deg=-0.422) USER MOD Single : A 45 LYS NZ :NH3+ -151:sc= -0.148 (180deg=-0.784) USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.348 USER MOD Single : A 51 GLN : amide:sc= -0.725 K(o=-0.72,f=-6.7!) USER MOD Single : A 54 SER OG : rot 18:sc= 1.02 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) USER MOD Single : A 65 GLN : amide:sc= -0.013 K(o=-0.013,f=-1.3) USER MOD Single : A 68 ASN : amide:sc= -0.0574 X(o=-0.057,f=-0.056) USER MOD Single : A 70 THR OG1 : rot -53:sc= 0.844 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0543 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl -153:sc= -1.12 (180deg=-2.73!) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.115 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 15 -0.938 11.987 -9.966 1.00 0.00 N ATOM 217 CA ASN A 15 -0.739 10.943 -8.968 1.00 0.00 C ATOM 218 C ASN A 15 -0.288 11.540 -7.639 1.00 0.00 C ATOM 219 O ASN A 15 -0.206 12.760 -7.490 1.00 0.00 O ATOM 220 CB ASN A 15 0.293 9.927 -9.460 1.00 0.00 C ATOM 221 CG ASN A 15 -0.127 9.255 -10.753 1.00 0.00 C ATOM 222 OD1 ASN A 15 0.109 9.779 -11.842 1.00 0.00 O ATOM 223 ND2 ASN A 15 -0.754 8.090 -10.639 1.00 0.00 N ATOM 0 HA ASN A 15 -1.692 10.437 -8.814 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.250 10.428 -9.608 1.00 0.00 H new ATOM 0 HB3 ASN A 15 0.446 9.168 -8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.061 7.592 -11.475 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.928 7.693 -9.716 1.00 0.00 H new ATOM 230 N ASP A 16 0.005 10.673 -6.676 1.00 0.00 N ATOM 231 CA ASP A 16 0.451 11.115 -5.359 1.00 0.00 C ATOM 232 C ASP A 16 1.638 10.284 -4.880 1.00 0.00 C ATOM 233 O ASP A 16 2.127 9.411 -5.597 1.00 0.00 O ATOM 234 CB ASP A 16 -0.695 11.018 -4.351 1.00 0.00 C ATOM 235 CG ASP A 16 -0.799 12.250 -3.473 1.00 0.00 C ATOM 236 OD1 ASP A 16 -0.046 12.335 -2.480 1.00 0.00 O ATOM 237 OD2 ASP A 16 -1.633 13.128 -3.778 1.00 0.00 O ATOM 0 H ASP A 16 -0.058 9.661 -6.782 1.00 0.00 H new ATOM 0 HA ASP A 16 0.768 12.155 -5.439 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.634 10.876 -4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.549 10.139 -3.723 1.00 0.00 H new ATOM 242 N HIS A 17 2.097 10.563 -3.664 1.00 0.00 N ATOM 243 CA HIS A 17 3.227 9.842 -3.090 1.00 0.00 C ATOM 244 C HIS A 17 3.219 9.943 -1.568 1.00 0.00 C ATOM 245 O HIS A 17 3.821 10.851 -0.993 1.00 0.00 O ATOM 246 CB HIS A 17 4.543 10.391 -3.642 1.00 0.00 C ATOM 247 CG HIS A 17 4.614 11.887 -3.644 1.00 0.00 C ATOM 248 ND1 HIS A 17 4.042 12.666 -4.627 1.00 0.00 N ATOM 249 CD2 HIS A 17 5.193 12.747 -2.774 1.00 0.00 C ATOM 250 CE1 HIS A 17 4.268 13.941 -4.363 1.00 0.00 C ATOM 251 NE2 HIS A 17 4.964 14.017 -3.243 1.00 0.00 N ATOM 0 H HIS A 17 1.704 11.283 -3.058 1.00 0.00 H new ATOM 0 HA HIS A 17 3.135 8.792 -3.368 1.00 0.00 H new ATOM 0 HB2 HIS A 17 5.369 9.997 -3.049 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.680 10.028 -4.660 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.734 12.483 -1.878 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.940 14.778 -4.961 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.280 14.879 -2.799 1.00 0.00 H new ATOM 259 N ILE A 18 2.532 9.007 -0.921 1.00 0.00 N ATOM 260 CA ILE A 18 2.446 8.991 0.534 1.00 0.00 C ATOM 261 C ILE A 18 3.436 7.997 1.132 1.00 0.00 C ATOM 262 O ILE A 18 4.281 7.447 0.428 1.00 0.00 O ATOM 263 CB ILE A 18 1.026 8.634 1.010 1.00 0.00 C ATOM 264 CG1 ILE A 18 0.742 7.150 0.769 1.00 0.00 C ATOM 265 CG2 ILE A 18 -0.004 9.498 0.298 1.00 0.00 C ATOM 266 CD1 ILE A 18 -0.660 6.733 1.155 1.00 0.00 C ATOM 0 H ILE A 18 2.027 8.250 -1.382 1.00 0.00 H new ATOM 0 HA ILE A 18 2.693 9.996 0.876 1.00 0.00 H new ATOM 0 HB ILE A 18 0.958 8.829 2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.902 6.924 -0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.458 6.555 1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.003 9.234 0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.190 10.548 0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.062 9.332 -0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.791 5.669 0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.818 6.927 2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.383 7.302 0.570 1.00 0.00 H new ATOM 278 N ASN A 19 3.322 7.770 2.437 1.00 0.00 N ATOM 279 CA ASN A 19 4.207 6.840 3.131 1.00 0.00 C ATOM 280 C ASN A 19 3.403 5.807 3.914 1.00 0.00 C ATOM 281 O ASN A 19 2.401 6.137 4.552 1.00 0.00 O ATOM 282 CB ASN A 19 5.140 7.600 4.075 1.00 0.00 C ATOM 283 CG ASN A 19 6.523 6.982 4.142 1.00 0.00 C ATOM 284 OD1 ASN A 19 7.452 7.437 3.473 1.00 0.00 O ATOM 285 ND2 ASN A 19 6.666 5.939 4.951 1.00 0.00 N ATOM 0 H ASN A 19 2.627 8.217 3.035 1.00 0.00 H new ATOM 0 HA ASN A 19 4.805 6.318 2.383 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.223 8.635 3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.705 7.619 5.074 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.573 5.481 5.037 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.869 5.596 5.486 1.00 0.00 H new ATOM 292 N LEU A 20 3.848 4.557 3.864 1.00 0.00 N ATOM 293 CA LEU A 20 3.171 3.474 4.569 1.00 0.00 C ATOM 294 C LEU A 20 4.174 2.443 5.075 1.00 0.00 C ATOM 295 O LEU A 20 5.228 2.238 4.473 1.00 0.00 O ATOM 296 CB LEU A 20 2.149 2.801 3.652 1.00 0.00 C ATOM 297 CG LEU A 20 0.882 2.277 4.329 1.00 0.00 C ATOM 298 CD1 LEU A 20 -0.219 3.326 4.286 1.00 0.00 C ATOM 299 CD2 LEU A 20 0.418 0.988 3.667 1.00 0.00 C ATOM 0 H LEU A 20 4.675 4.268 3.342 1.00 0.00 H new ATOM 0 HA LEU A 20 2.653 3.901 5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.857 3.515 2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.638 1.968 3.146 1.00 0.00 H new ATOM 0 HG LEU A 20 1.112 2.064 5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.113 2.935 4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.114 4.224 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.448 3.571 3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.485 0.629 4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.205 1.176 2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.201 0.234 3.750 1.00 0.00 H new ATOM 311 N LYS A 21 3.839 1.793 6.184 1.00 0.00 N ATOM 312 CA LYS A 21 4.708 0.779 6.770 1.00 0.00 C ATOM 313 C LYS A 21 3.889 -0.296 7.477 1.00 0.00 C ATOM 314 O LYS A 21 3.141 -0.008 8.411 1.00 0.00 O ATOM 315 CB LYS A 21 5.684 1.423 7.758 1.00 0.00 C ATOM 316 CG LYS A 21 5.002 2.241 8.841 1.00 0.00 C ATOM 317 CD LYS A 21 6.004 3.069 9.628 1.00 0.00 C ATOM 318 CE LYS A 21 6.463 4.286 8.839 1.00 0.00 C ATOM 319 NZ LYS A 21 7.858 4.676 9.183 1.00 0.00 N ATOM 0 H LYS A 21 2.971 1.950 6.696 1.00 0.00 H new ATOM 0 HA LYS A 21 5.273 0.310 5.964 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.282 0.641 8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.373 2.065 7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.260 2.899 8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.467 1.576 9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.554 3.391 10.567 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.866 2.453 9.883 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.398 4.073 7.772 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.793 5.122 9.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.342 5.022 8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.841 5.428 9.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.367 3.850 9.559 1.00 0.00 H new ATOM 333 N VAL A 22 4.037 -1.538 7.026 1.00 0.00 N ATOM 334 CA VAL A 22 3.313 -2.657 7.618 1.00 0.00 C ATOM 335 C VAL A 22 4.122 -3.306 8.736 1.00 0.00 C ATOM 336 O VAL A 22 5.235 -3.781 8.515 1.00 0.00 O ATOM 337 CB VAL A 22 2.970 -3.725 6.562 1.00 0.00 C ATOM 338 CG1 VAL A 22 2.017 -4.760 7.138 1.00 0.00 C ATOM 339 CG2 VAL A 22 2.377 -3.075 5.321 1.00 0.00 C ATOM 0 H VAL A 22 4.651 -1.794 6.253 1.00 0.00 H new ATOM 0 HA VAL A 22 2.388 -2.253 8.030 1.00 0.00 H new ATOM 0 HB VAL A 22 3.890 -4.234 6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.787 -5.506 6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.483 -5.247 7.994 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.097 -4.270 7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.141 -3.844 4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.467 -2.539 5.591 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.098 -2.376 4.897 1.00 0.00 H new ATOM 349 N ALA A 23 3.553 -3.322 9.937 1.00 0.00 N ATOM 350 CA ALA A 23 4.220 -3.914 11.090 1.00 0.00 C ATOM 351 C ALA A 23 3.270 -4.817 11.869 1.00 0.00 C ATOM 352 O ALA A 23 2.203 -4.385 12.303 1.00 0.00 O ATOM 353 CB ALA A 23 4.777 -2.825 11.994 1.00 0.00 C ATOM 0 H ALA A 23 2.632 -2.932 10.137 1.00 0.00 H new ATOM 0 HA ALA A 23 5.045 -4.526 10.727 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.272 -3.282 12.851 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.495 -2.223 11.438 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.963 -2.189 12.342 1.00 0.00 H new ATOM 359 N GLY A 24 3.665 -6.075 12.043 1.00 0.00 N ATOM 360 CA GLY A 24 2.837 -7.019 12.770 1.00 0.00 C ATOM 361 C GLY A 24 2.959 -6.861 14.272 1.00 0.00 C ATOM 362 O GLY A 24 4.048 -6.612 14.789 1.00 0.00 O ATOM 0 H GLY A 24 4.544 -6.457 11.693 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.796 -6.885 12.477 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.118 -8.034 12.491 1.00 0.00 H new ATOM 366 N GLN A 25 1.839 -7.005 14.974 1.00 0.00 N ATOM 367 CA GLN A 25 1.826 -6.874 16.426 1.00 0.00 C ATOM 368 C GLN A 25 2.757 -7.894 17.073 1.00 0.00 C ATOM 369 O GLN A 25 3.165 -7.735 18.224 1.00 0.00 O ATOM 370 CB GLN A 25 0.405 -7.051 16.963 1.00 0.00 C ATOM 371 CG GLN A 25 0.337 -7.180 18.476 1.00 0.00 C ATOM 372 CD GLN A 25 0.851 -5.946 19.190 1.00 0.00 C ATOM 373 OE1 GLN A 25 1.056 -4.899 18.576 1.00 0.00 O ATOM 374 NE2 GLN A 25 1.062 -6.063 20.496 1.00 0.00 N ATOM 0 H GLN A 25 0.930 -7.212 14.561 1.00 0.00 H new ATOM 0 HA GLN A 25 2.180 -5.874 16.678 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.200 -6.200 16.652 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.037 -7.939 16.511 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.695 -7.365 18.775 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.920 -8.046 18.790 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.879 -6.950 20.965 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.407 -5.266 21.030 1.00 0.00 H new ATOM 383 N ASP A 26 3.090 -8.941 16.326 1.00 0.00 N ATOM 384 CA ASP A 26 3.973 -9.988 16.827 1.00 0.00 C ATOM 385 C ASP A 26 5.432 -9.547 16.755 1.00 0.00 C ATOM 386 O ASP A 26 6.050 -9.245 17.775 1.00 0.00 O ATOM 387 CB ASP A 26 3.777 -11.276 16.026 1.00 0.00 C ATOM 388 CG ASP A 26 2.606 -12.097 16.529 1.00 0.00 C ATOM 389 OD1 ASP A 26 2.641 -12.527 17.701 1.00 0.00 O ATOM 390 OD2 ASP A 26 1.654 -12.310 15.750 1.00 0.00 O ATOM 0 H ASP A 26 2.762 -9.087 15.371 1.00 0.00 H new ATOM 0 HA ASP A 26 3.719 -10.176 17.870 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.619 -11.027 14.977 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.686 -11.875 16.078 1.00 0.00 H new ATOM 395 N GLY A 27 5.977 -9.514 15.543 1.00 0.00 N ATOM 396 CA GLY A 27 7.359 -9.110 15.361 1.00 0.00 C ATOM 397 C GLY A 27 7.691 -8.813 13.912 1.00 0.00 C ATOM 398 O GLY A 27 8.626 -9.385 13.353 1.00 0.00 O ATOM 0 H GLY A 27 5.486 -9.760 14.683 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.558 -8.225 15.965 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.016 -9.899 15.727 1.00 0.00 H new ATOM 402 N SER A 28 6.921 -7.918 13.302 1.00 0.00 N ATOM 403 CA SER A 28 7.134 -7.550 11.907 1.00 0.00 C ATOM 404 C SER A 28 7.065 -6.037 11.728 1.00 0.00 C ATOM 405 O SER A 28 6.356 -5.345 12.458 1.00 0.00 O ATOM 406 CB SER A 28 6.094 -8.229 11.014 1.00 0.00 C ATOM 407 OG SER A 28 6.468 -9.563 10.719 1.00 0.00 O ATOM 0 H SER A 28 6.144 -7.434 13.752 1.00 0.00 H new ATOM 0 HA SER A 28 8.128 -7.888 11.615 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.124 -8.221 11.510 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.983 -7.666 10.087 1.00 0.00 H new ATOM 0 HG SER A 28 5.786 -9.975 10.149 1.00 0.00 H new ATOM 413 N VAL A 29 7.809 -5.529 10.750 1.00 0.00 N ATOM 414 CA VAL A 29 7.832 -4.097 10.472 1.00 0.00 C ATOM 415 C VAL A 29 8.589 -3.800 9.182 1.00 0.00 C ATOM 416 O VAL A 29 9.783 -4.081 9.072 1.00 0.00 O ATOM 417 CB VAL A 29 8.481 -3.312 11.628 1.00 0.00 C ATOM 418 CG1 VAL A 29 9.859 -3.872 11.946 1.00 0.00 C ATOM 419 CG2 VAL A 29 8.563 -1.832 11.285 1.00 0.00 C ATOM 0 H VAL A 29 8.403 -6.087 10.137 1.00 0.00 H new ATOM 0 HA VAL A 29 6.795 -3.778 10.363 1.00 0.00 H new ATOM 0 HB VAL A 29 7.858 -3.422 12.515 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.302 -3.305 12.765 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.768 -4.919 12.237 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.496 -3.794 11.065 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.024 -1.292 12.112 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.164 -1.700 10.385 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.560 -1.443 11.112 1.00 0.00 H new ATOM 429 N VAL A 30 7.887 -3.230 8.209 1.00 0.00 N ATOM 430 CA VAL A 30 8.492 -2.893 6.926 1.00 0.00 C ATOM 431 C VAL A 30 8.023 -1.526 6.439 1.00 0.00 C ATOM 432 O VAL A 30 6.860 -1.162 6.611 1.00 0.00 O ATOM 433 CB VAL A 30 8.162 -3.948 5.854 1.00 0.00 C ATOM 434 CG1 VAL A 30 8.961 -3.691 4.586 1.00 0.00 C ATOM 435 CG2 VAL A 30 8.427 -5.348 6.387 1.00 0.00 C ATOM 0 H VAL A 30 6.898 -2.992 8.284 1.00 0.00 H new ATOM 0 HA VAL A 30 9.571 -2.870 7.082 1.00 0.00 H new ATOM 0 HB VAL A 30 7.103 -3.871 5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.714 -4.447 3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.716 -2.703 4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.026 -3.738 4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.189 -6.082 5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.478 -5.440 6.663 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.805 -5.527 7.264 1.00 0.00 H new ATOM 445 N GLN A 31 8.936 -0.775 5.831 1.00 0.00 N ATOM 446 CA GLN A 31 8.615 0.552 5.320 1.00 0.00 C ATOM 447 C GLN A 31 8.580 0.554 3.795 1.00 0.00 C ATOM 448 O GLN A 31 9.411 -0.080 3.144 1.00 0.00 O ATOM 449 CB GLN A 31 9.637 1.575 5.819 1.00 0.00 C ATOM 450 CG GLN A 31 9.386 2.038 7.246 1.00 0.00 C ATOM 451 CD GLN A 31 10.235 3.234 7.628 1.00 0.00 C ATOM 452 OE1 GLN A 31 10.131 4.303 7.025 1.00 0.00 O ATOM 453 NE2 GLN A 31 11.083 3.061 8.636 1.00 0.00 N ATOM 0 H GLN A 31 9.903 -1.063 5.681 1.00 0.00 H new ATOM 0 HA GLN A 31 7.627 0.826 5.689 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.635 1.140 5.757 1.00 0.00 H new ATOM 0 HB3 GLN A 31 9.625 2.441 5.157 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.333 2.293 7.361 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.592 1.217 7.932 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.137 2.158 9.108 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.680 3.831 8.938 1.00 0.00 H new ATOM 462 N PHE A 32 7.613 1.270 3.231 1.00 0.00 N ATOM 463 CA PHE A 32 7.469 1.353 1.783 1.00 0.00 C ATOM 464 C PHE A 32 6.869 2.695 1.372 1.00 0.00 C ATOM 465 O PHE A 32 6.365 3.445 2.208 1.00 0.00 O ATOM 466 CB PHE A 32 6.589 0.211 1.270 1.00 0.00 C ATOM 467 CG PHE A 32 7.340 -0.806 0.459 1.00 0.00 C ATOM 468 CD1 PHE A 32 8.008 -1.850 1.078 1.00 0.00 C ATOM 469 CD2 PHE A 32 7.377 -0.719 -0.924 1.00 0.00 C ATOM 470 CE1 PHE A 32 8.701 -2.786 0.334 1.00 0.00 C ATOM 471 CE2 PHE A 32 8.068 -1.652 -1.673 1.00 0.00 C ATOM 472 CZ PHE A 32 8.729 -2.688 -1.043 1.00 0.00 C ATOM 0 H PHE A 32 6.918 1.801 3.755 1.00 0.00 H new ATOM 0 HA PHE A 32 8.461 1.266 1.339 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.122 -0.287 2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.785 0.627 0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.987 -1.933 2.155 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.860 0.088 -1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.220 -3.593 0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.091 -1.571 -2.750 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.267 -3.420 -1.626 1.00 0.00 H new ATOM 482 N LYS A 33 6.928 2.991 0.078 1.00 0.00 N ATOM 483 CA LYS A 33 6.392 4.241 -0.447 1.00 0.00 C ATOM 484 C LYS A 33 5.526 3.988 -1.677 1.00 0.00 C ATOM 485 O LYS A 33 5.883 3.190 -2.544 1.00 0.00 O ATOM 486 CB LYS A 33 7.530 5.201 -0.799 1.00 0.00 C ATOM 487 CG LYS A 33 8.451 4.678 -1.889 1.00 0.00 C ATOM 488 CD LYS A 33 9.632 5.607 -2.114 1.00 0.00 C ATOM 489 CE LYS A 33 9.299 6.699 -3.120 1.00 0.00 C ATOM 490 NZ LYS A 33 8.507 7.799 -2.503 1.00 0.00 N ATOM 0 H LYS A 33 7.342 2.381 -0.627 1.00 0.00 H new ATOM 0 HA LYS A 33 5.771 4.693 0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.106 6.153 -1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.117 5.399 0.097 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.813 3.687 -1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.891 4.568 -2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.925 6.060 -1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.486 5.031 -2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.222 7.104 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.738 6.269 -3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.780 8.706 -2.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.494 7.631 -2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.693 7.829 -1.480 1.00 0.00 H new ATOM 504 N ILE A 34 4.390 4.674 -1.747 1.00 0.00 N ATOM 505 CA ILE A 34 3.477 4.524 -2.873 1.00 0.00 C ATOM 506 C ILE A 34 2.522 5.709 -2.966 1.00 0.00 C ATOM 507 O ILE A 34 2.389 6.491 -2.024 1.00 0.00 O ATOM 508 CB ILE A 34 2.656 3.226 -2.763 1.00 0.00 C ATOM 509 CG1 ILE A 34 2.201 2.766 -4.150 1.00 0.00 C ATOM 510 CG2 ILE A 34 1.458 3.431 -1.848 1.00 0.00 C ATOM 511 CD1 ILE A 34 2.196 1.262 -4.316 1.00 0.00 C ATOM 0 H ILE A 34 4.080 5.338 -1.038 1.00 0.00 H new ATOM 0 HA ILE A 34 4.090 4.481 -3.773 1.00 0.00 H new ATOM 0 HB ILE A 34 3.288 2.450 -2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.198 3.148 -4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.856 3.204 -4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.888 2.504 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.804 3.717 -0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.822 4.219 -2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.863 1.008 -5.322 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.203 0.875 -4.158 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.518 0.818 -3.587 1.00 0.00 H new ATOM 523 N LYS A 35 1.856 5.837 -4.109 1.00 0.00 N ATOM 524 CA LYS A 35 0.909 6.924 -4.327 1.00 0.00 C ATOM 525 C LYS A 35 -0.330 6.750 -3.454 1.00 0.00 C ATOM 526 O LYS A 35 -0.361 5.897 -2.568 1.00 0.00 O ATOM 527 CB LYS A 35 0.503 6.987 -5.801 1.00 0.00 C ATOM 528 CG LYS A 35 -0.355 5.815 -6.246 1.00 0.00 C ATOM 529 CD LYS A 35 -0.788 5.959 -7.695 1.00 0.00 C ATOM 530 CE LYS A 35 -0.685 4.638 -8.442 1.00 0.00 C ATOM 531 NZ LYS A 35 -1.094 4.773 -9.867 1.00 0.00 N ATOM 0 H LYS A 35 1.955 5.200 -4.900 1.00 0.00 H new ATOM 0 HA LYS A 35 1.398 7.858 -4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.042 7.914 -5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.402 7.022 -6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.203 4.887 -6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.236 5.745 -5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.815 6.321 -7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.167 6.707 -8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.340 4.271 -8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.314 3.894 -7.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.010 3.851 -10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.081 5.098 -9.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.478 5.464 -10.341 1.00 0.00 H new ATOM 545 N ARG A 36 -1.348 7.564 -3.712 1.00 0.00 N ATOM 546 CA ARG A 36 -2.589 7.499 -2.950 1.00 0.00 C ATOM 547 C ARG A 36 -3.556 6.494 -3.569 1.00 0.00 C ATOM 548 O ARG A 36 -4.089 5.624 -2.880 1.00 0.00 O ATOM 549 CB ARG A 36 -3.245 8.880 -2.885 1.00 0.00 C ATOM 550 CG ARG A 36 -2.803 9.709 -1.691 1.00 0.00 C ATOM 551 CD ARG A 36 -3.842 10.757 -1.325 1.00 0.00 C ATOM 552 NE ARG A 36 -4.169 11.622 -2.455 1.00 0.00 N ATOM 553 CZ ARG A 36 -4.876 12.741 -2.343 1.00 0.00 C ATOM 554 NH1 ARG A 36 -5.328 13.129 -1.159 1.00 0.00 N ATOM 555 NH2 ARG A 36 -5.132 13.475 -3.419 1.00 0.00 N ATOM 0 H ARG A 36 -1.338 8.276 -4.442 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.348 7.170 -1.939 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.015 9.425 -3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.328 8.757 -2.851 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.628 9.055 -0.837 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.855 10.198 -1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.747 10.262 -0.973 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.469 11.364 -0.500 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.836 11.352 -3.381 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.133 12.568 -0.330 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.871 13.989 -1.077 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.786 13.180 -4.332 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.675 14.334 -3.333 1.00 0.00 H new ATOM 569 N HIS A 37 -3.777 6.620 -4.874 1.00 0.00 N ATOM 570 CA HIS A 37 -4.680 5.722 -5.586 1.00 0.00 C ATOM 571 C HIS A 37 -3.913 4.550 -6.192 1.00 0.00 C ATOM 572 O HIS A 37 -3.861 4.393 -7.412 1.00 0.00 O ATOM 573 CB HIS A 37 -5.426 6.480 -6.684 1.00 0.00 C ATOM 574 CG HIS A 37 -6.508 5.676 -7.338 1.00 0.00 C ATOM 575 ND1 HIS A 37 -7.556 5.116 -6.639 1.00 0.00 N ATOM 576 CD2 HIS A 37 -6.700 5.341 -8.635 1.00 0.00 C ATOM 577 CE1 HIS A 37 -8.346 4.470 -7.478 1.00 0.00 C ATOM 578 NE2 HIS A 37 -7.849 4.591 -8.695 1.00 0.00 N ATOM 0 H HIS A 37 -3.344 7.334 -5.459 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.403 5.330 -4.870 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -5.863 7.383 -6.258 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.712 6.799 -7.443 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -6.068 5.613 -9.467 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -9.245 3.934 -7.213 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -8.253 4.192 -9.542 1.00 0.00 H new ATOM 586 N THR A 38 -3.319 3.729 -5.331 1.00 0.00 N ATOM 587 CA THR A 38 -2.555 2.573 -5.781 1.00 0.00 C ATOM 588 C THR A 38 -3.293 1.274 -5.479 1.00 0.00 C ATOM 589 O THR A 38 -3.918 1.116 -4.430 1.00 0.00 O ATOM 590 CB THR A 38 -1.165 2.526 -5.119 1.00 0.00 C ATOM 591 OG1 THR A 38 -0.284 1.697 -5.886 1.00 0.00 O ATOM 592 CG2 THR A 38 -1.260 1.994 -3.697 1.00 0.00 C ATOM 0 H THR A 38 -3.353 3.844 -4.318 1.00 0.00 H new ATOM 0 HA THR A 38 -2.433 2.676 -6.859 1.00 0.00 H new ATOM 0 HB THR A 38 -0.770 3.541 -5.085 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.394 2.255 -6.322 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.266 1.970 -3.250 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.907 2.644 -3.108 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.675 0.986 -3.713 1.00 0.00 H new ATOM 600 N PRO A 39 -3.220 0.319 -6.418 1.00 0.00 N ATOM 601 CA PRO A 39 -3.875 -0.985 -6.274 1.00 0.00 C ATOM 602 C PRO A 39 -3.216 -1.849 -5.205 1.00 0.00 C ATOM 603 O PRO A 39 -2.078 -2.294 -5.365 1.00 0.00 O ATOM 604 CB PRO A 39 -3.705 -1.622 -7.656 1.00 0.00 C ATOM 605 CG PRO A 39 -2.496 -0.967 -8.229 1.00 0.00 C ATOM 606 CD PRO A 39 -2.492 0.438 -7.693 1.00 0.00 C ATOM 0 HA PRO A 39 -4.914 -0.887 -5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.572 -2.701 -7.581 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.581 -1.451 -8.281 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.590 -1.498 -7.938 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.531 -0.969 -9.318 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.478 0.808 -7.544 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.986 1.130 -8.375 1.00 0.00 H new ATOM 614 N LEU A 40 -3.937 -2.085 -4.114 1.00 0.00 N ATOM 615 CA LEU A 40 -3.423 -2.898 -3.017 1.00 0.00 C ATOM 616 C LEU A 40 -2.886 -4.229 -3.532 1.00 0.00 C ATOM 617 O LEU A 40 -2.009 -4.836 -2.916 1.00 0.00 O ATOM 618 CB LEU A 40 -4.520 -3.144 -1.980 1.00 0.00 C ATOM 619 CG LEU A 40 -4.780 -2.003 -0.995 1.00 0.00 C ATOM 620 CD1 LEU A 40 -6.004 -2.302 -0.144 1.00 0.00 C ATOM 621 CD2 LEU A 40 -3.561 -1.770 -0.115 1.00 0.00 C ATOM 0 H LEU A 40 -4.880 -1.725 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.604 -2.354 -2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.449 -3.361 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.261 -4.037 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.971 -1.093 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.174 -1.480 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.875 -2.418 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.841 -3.223 0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.764 -0.955 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.338 -2.678 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.706 -1.510 -0.739 1.00 0.00 H new ATOM 633 N SER A 41 -3.416 -4.677 -4.665 1.00 0.00 N ATOM 634 CA SER A 41 -2.991 -5.938 -5.262 1.00 0.00 C ATOM 635 C SER A 41 -1.470 -6.011 -5.354 1.00 0.00 C ATOM 636 O SER A 41 -0.846 -6.927 -4.818 1.00 0.00 O ATOM 637 CB SER A 41 -3.606 -6.101 -6.654 1.00 0.00 C ATOM 638 OG SER A 41 -4.953 -5.663 -6.671 1.00 0.00 O ATOM 0 H SER A 41 -4.141 -4.186 -5.188 1.00 0.00 H new ATOM 0 HA SER A 41 -3.338 -6.749 -4.622 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.026 -5.531 -7.380 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.557 -7.147 -6.957 1.00 0.00 H new ATOM 0 HG SER A 41 -5.322 -5.776 -7.572 1.00 0.00 H new ATOM 644 N LYS A 42 -0.878 -5.037 -6.037 1.00 0.00 N ATOM 645 CA LYS A 42 0.570 -4.987 -6.200 1.00 0.00 C ATOM 646 C LYS A 42 1.274 -5.102 -4.851 1.00 0.00 C ATOM 647 O LYS A 42 2.401 -5.591 -4.767 1.00 0.00 O ATOM 648 CB LYS A 42 0.982 -3.686 -6.892 1.00 0.00 C ATOM 649 CG LYS A 42 1.099 -2.504 -5.946 1.00 0.00 C ATOM 650 CD LYS A 42 1.287 -1.200 -6.702 1.00 0.00 C ATOM 651 CE LYS A 42 2.686 -1.092 -7.289 1.00 0.00 C ATOM 652 NZ LYS A 42 2.864 0.160 -8.075 1.00 0.00 N ATOM 0 H LYS A 42 -1.379 -4.271 -6.487 1.00 0.00 H new ATOM 0 HA LYS A 42 0.870 -5.832 -6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.939 -3.837 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.253 -3.450 -7.667 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.203 -2.441 -5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.941 -2.659 -5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.550 -1.133 -7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.107 -0.360 -6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.421 -1.123 -6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.878 -1.953 -7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.830 0.195 -8.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.180 0.178 -8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.706 0.982 -7.458 1.00 0.00 H new ATOM 666 N LEU A 43 0.601 -4.650 -3.798 1.00 0.00 N ATOM 667 CA LEU A 43 1.161 -4.704 -2.452 1.00 0.00 C ATOM 668 C LEU A 43 1.138 -6.129 -1.909 1.00 0.00 C ATOM 669 O LEU A 43 2.184 -6.719 -1.641 1.00 0.00 O ATOM 670 CB LEU A 43 0.383 -3.777 -1.517 1.00 0.00 C ATOM 671 CG LEU A 43 1.199 -3.088 -0.423 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.273 -2.202 -1.036 1.00 0.00 C ATOM 673 CD2 LEU A 43 0.291 -2.275 0.488 1.00 0.00 C ATOM 0 H LEU A 43 -0.333 -4.242 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 43 2.198 -4.371 -2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.101 -3.009 -2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.409 -4.355 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 43 1.688 -3.856 0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.844 -1.720 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.942 -2.810 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.804 -1.441 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.889 -1.792 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.227 -1.516 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.441 -2.934 0.955 1.00 0.00 H new ATOM 685 N MET A 44 -0.063 -6.677 -1.751 1.00 0.00 N ATOM 686 CA MET A 44 -0.222 -8.035 -1.243 1.00 0.00 C ATOM 687 C MET A 44 0.620 -9.019 -2.049 1.00 0.00 C ATOM 688 O MET A 44 1.334 -9.848 -1.485 1.00 0.00 O ATOM 689 CB MET A 44 -1.694 -8.449 -1.288 1.00 0.00 C ATOM 690 CG MET A 44 -2.347 -8.227 -2.643 1.00 0.00 C ATOM 691 SD MET A 44 -4.129 -8.504 -2.609 1.00 0.00 S ATOM 692 CE MET A 44 -4.683 -7.035 -1.747 1.00 0.00 C ATOM 0 H MET A 44 -0.939 -6.202 -1.967 1.00 0.00 H new ATOM 0 HA MET A 44 0.122 -8.052 -0.209 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.775 -9.503 -1.023 1.00 0.00 H new ATOM 0 HB3 MET A 44 -2.244 -7.888 -0.533 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.148 -7.208 -2.975 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.893 -8.895 -3.375 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.232 -7.324 -0.851 1.00 0.00 H new ATOM 0 HE2 MET A 44 -3.820 -6.431 -1.465 1.00 0.00 H new ATOM 0 HE3 MET A 44 -5.335 -6.454 -2.400 1.00 0.00 H new ATOM 702 N LYS A 45 0.532 -8.922 -3.371 1.00 0.00 N ATOM 703 CA LYS A 45 1.286 -9.803 -4.255 1.00 0.00 C ATOM 704 C LYS A 45 2.763 -9.820 -3.875 1.00 0.00 C ATOM 705 O LYS A 45 3.345 -10.882 -3.656 1.00 0.00 O ATOM 706 CB LYS A 45 1.128 -9.355 -5.710 1.00 0.00 C ATOM 707 CG LYS A 45 1.654 -10.364 -6.717 1.00 0.00 C ATOM 708 CD LYS A 45 0.887 -10.297 -8.027 1.00 0.00 C ATOM 709 CE LYS A 45 -0.329 -11.211 -8.008 1.00 0.00 C ATOM 710 NZ LYS A 45 0.054 -12.640 -7.837 1.00 0.00 N ATOM 0 H LYS A 45 -0.054 -8.242 -3.854 1.00 0.00 H new ATOM 0 HA LYS A 45 0.889 -10.812 -4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.073 -9.169 -5.912 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.651 -8.409 -5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.711 -10.176 -6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.578 -11.368 -6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.569 -9.271 -8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.544 -10.580 -8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.994 -10.914 -7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.887 -11.093 -8.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.654 -13.247 -8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.985 -12.804 -8.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.099 -12.868 -6.823 1.00 0.00 H new ATOM 724 N ALA A 46 3.364 -8.637 -3.797 1.00 0.00 N ATOM 725 CA ALA A 46 4.771 -8.517 -3.440 1.00 0.00 C ATOM 726 C ALA A 46 5.034 -9.080 -2.047 1.00 0.00 C ATOM 727 O ALA A 46 6.058 -9.721 -1.809 1.00 0.00 O ATOM 728 CB ALA A 46 5.213 -7.063 -3.515 1.00 0.00 C ATOM 0 H ALA A 46 2.897 -7.748 -3.977 1.00 0.00 H new ATOM 0 HA ALA A 46 5.352 -9.099 -4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.267 -6.989 -3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.071 -6.691 -4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.619 -6.466 -2.823 1.00 0.00 H new ATOM 734 N TYR A 47 4.105 -8.835 -1.130 1.00 0.00 N ATOM 735 CA TYR A 47 4.238 -9.315 0.240 1.00 0.00 C ATOM 736 C TYR A 47 4.568 -10.804 0.266 1.00 0.00 C ATOM 737 O TYR A 47 5.625 -11.209 0.753 1.00 0.00 O ATOM 738 CB TYR A 47 2.949 -9.054 1.022 1.00 0.00 C ATOM 739 CG TYR A 47 3.185 -8.631 2.454 1.00 0.00 C ATOM 740 CD1 TYR A 47 4.155 -9.251 3.231 1.00 0.00 C ATOM 741 CD2 TYR A 47 2.438 -7.611 3.030 1.00 0.00 C ATOM 742 CE1 TYR A 47 4.374 -8.869 4.541 1.00 0.00 C ATOM 743 CE2 TYR A 47 2.650 -7.221 4.338 1.00 0.00 C ATOM 744 CZ TYR A 47 3.619 -7.853 5.089 1.00 0.00 C ATOM 745 OH TYR A 47 3.834 -7.468 6.393 1.00 0.00 O ATOM 0 H TYR A 47 3.251 -8.307 -1.311 1.00 0.00 H new ATOM 0 HA TYR A 47 5.057 -8.771 0.710 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.376 -8.279 0.513 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.340 -9.958 1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.749 -10.046 2.804 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.678 -7.114 2.445 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.131 -9.363 5.132 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.061 -6.426 4.770 1.00 0.00 H new ATOM 0 HH TYR A 47 4.773 -7.619 6.628 1.00 0.00 H new ATOM 755 N CYS A 48 3.658 -11.615 -0.262 1.00 0.00 N ATOM 756 CA CYS A 48 3.851 -13.060 -0.300 1.00 0.00 C ATOM 757 C CYS A 48 5.214 -13.411 -0.888 1.00 0.00 C ATOM 758 O CYS A 48 5.913 -14.285 -0.377 1.00 0.00 O ATOM 759 CB CYS A 48 2.742 -13.722 -1.120 1.00 0.00 C ATOM 760 SG CYS A 48 2.397 -15.433 -0.649 1.00 0.00 S ATOM 0 H CYS A 48 2.779 -11.296 -0.670 1.00 0.00 H new ATOM 0 HA CYS A 48 3.810 -13.435 0.723 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.829 -13.136 -1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.019 -13.695 -2.174 1.00 0.00 H new ATOM 0 HG CYS A 48 1.444 -15.905 -1.397 1.00 0.00 H new ATOM 766 N GLU A 49 5.583 -12.725 -1.965 1.00 0.00 N ATOM 767 CA GLU A 49 6.861 -12.967 -2.623 1.00 0.00 C ATOM 768 C GLU A 49 8.006 -12.940 -1.614 1.00 0.00 C ATOM 769 O GLU A 49 8.979 -13.683 -1.743 1.00 0.00 O ATOM 770 CB GLU A 49 7.104 -11.923 -3.714 1.00 0.00 C ATOM 771 CG GLU A 49 8.071 -12.383 -4.793 1.00 0.00 C ATOM 772 CD GLU A 49 7.995 -11.532 -6.046 1.00 0.00 C ATOM 773 OE1 GLU A 49 7.264 -10.520 -6.033 1.00 0.00 O ATOM 774 OE2 GLU A 49 8.667 -11.879 -7.039 1.00 0.00 O ATOM 0 H GLU A 49 5.015 -11.998 -2.400 1.00 0.00 H new ATOM 0 HA GLU A 49 6.824 -13.956 -3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.152 -11.666 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.491 -11.013 -3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.087 -12.355 -4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.857 -13.421 -5.049 1.00 0.00 H new ATOM 781 N ARG A 50 7.882 -12.077 -0.611 1.00 0.00 N ATOM 782 CA ARG A 50 8.907 -11.951 0.419 1.00 0.00 C ATOM 783 C ARG A 50 8.563 -12.805 1.636 1.00 0.00 C ATOM 784 O ARG A 50 9.241 -13.791 1.925 1.00 0.00 O ATOM 785 CB ARG A 50 9.062 -10.488 0.838 1.00 0.00 C ATOM 786 CG ARG A 50 10.395 -10.181 1.499 1.00 0.00 C ATOM 787 CD ARG A 50 10.317 -10.339 3.010 1.00 0.00 C ATOM 788 NE ARG A 50 11.290 -9.496 3.699 1.00 0.00 N ATOM 789 CZ ARG A 50 12.602 -9.698 3.652 1.00 0.00 C ATOM 790 NH1 ARG A 50 13.095 -10.710 2.952 1.00 0.00 N ATOM 791 NH2 ARG A 50 13.424 -8.887 4.306 1.00 0.00 N ATOM 0 H ARG A 50 7.083 -11.455 -0.489 1.00 0.00 H new ATOM 0 HA ARG A 50 9.850 -12.305 0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.947 -9.853 -0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.257 -10.229 1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.161 -10.847 1.102 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.698 -9.163 1.254 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.313 -10.085 3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.489 -11.382 3.275 1.00 0.00 H new ATOM 0 HE ARG A 50 10.943 -8.709 4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.466 -11.336 2.448 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.103 -10.863 2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.049 -8.107 4.846 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.431 -9.043 4.269 1.00 0.00 H new ATOM 805 N GLN A 51 7.506 -12.420 2.343 1.00 0.00 N ATOM 806 CA GLN A 51 7.073 -13.151 3.529 1.00 0.00 C ATOM 807 C GLN A 51 5.760 -13.882 3.269 1.00 0.00 C ATOM 808 O GLN A 51 4.751 -13.617 3.921 1.00 0.00 O ATOM 809 CB GLN A 51 6.913 -12.195 4.712 1.00 0.00 C ATOM 810 CG GLN A 51 8.226 -11.848 5.396 1.00 0.00 C ATOM 811 CD GLN A 51 8.210 -10.468 6.024 1.00 0.00 C ATOM 812 OE1 GLN A 51 8.839 -9.537 5.520 1.00 0.00 O ATOM 813 NE2 GLN A 51 7.488 -10.329 7.129 1.00 0.00 N ATOM 0 H GLN A 51 6.934 -11.607 2.116 1.00 0.00 H new ATOM 0 HA GLN A 51 7.837 -13.890 3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.440 -11.276 4.365 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.240 -12.644 5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.438 -12.591 6.165 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.036 -11.903 4.668 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.983 -11.128 7.512 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.439 -9.423 7.595 1.00 0.00 H new ATOM 822 N GLY A 52 5.782 -14.804 2.311 1.00 0.00 N ATOM 823 CA GLY A 52 4.587 -15.559 1.982 1.00 0.00 C ATOM 824 C GLY A 52 4.388 -16.755 2.891 1.00 0.00 C ATOM 825 O GLY A 52 4.530 -17.901 2.461 1.00 0.00 O ATOM 0 H GLY A 52 6.605 -15.041 1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.718 -14.905 2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.649 -15.899 0.948 1.00 0.00 H new ATOM 829 N LEU A 53 4.060 -16.491 4.151 1.00 0.00 N ATOM 830 CA LEU A 53 3.843 -17.556 5.124 1.00 0.00 C ATOM 831 C LEU A 53 2.382 -17.995 5.134 1.00 0.00 C ATOM 832 O LEU A 53 2.080 -19.179 5.281 1.00 0.00 O ATOM 833 CB LEU A 53 4.256 -17.089 6.521 1.00 0.00 C ATOM 834 CG LEU A 53 5.498 -16.199 6.591 1.00 0.00 C ATOM 835 CD1 LEU A 53 5.673 -15.637 7.993 1.00 0.00 C ATOM 836 CD2 LEU A 53 6.735 -16.977 6.167 1.00 0.00 C ATOM 0 H LEU A 53 3.939 -15.549 4.523 1.00 0.00 H new ATOM 0 HA LEU A 53 4.458 -18.409 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.420 -16.547 6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.429 -17.969 7.140 1.00 0.00 H new ATOM 0 HG LEU A 53 5.364 -15.365 5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.562 -15.006 8.024 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.798 -15.044 8.259 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.785 -16.457 8.702 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.609 -16.329 6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.873 -17.831 6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.610 -17.330 5.143 1.00 0.00 H new ATOM 848 N SER A 54 1.479 -17.033 4.974 1.00 0.00 N ATOM 849 CA SER A 54 0.049 -17.320 4.966 1.00 0.00 C ATOM 850 C SER A 54 -0.727 -16.196 4.285 1.00 0.00 C ATOM 851 O SER A 54 -1.244 -15.296 4.946 1.00 0.00 O ATOM 852 CB SER A 54 -0.461 -17.515 6.395 1.00 0.00 C ATOM 853 OG SER A 54 -0.070 -18.776 6.909 1.00 0.00 O ATOM 0 H SER A 54 1.712 -16.048 4.848 1.00 0.00 H new ATOM 0 HA SER A 54 -0.109 -18.240 4.403 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.073 -16.722 7.034 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.548 -17.434 6.411 1.00 0.00 H new ATOM 0 HG SER A 54 0.670 -19.132 6.374 1.00 0.00 H new ATOM 859 N MET A 55 -0.803 -16.257 2.960 1.00 0.00 N ATOM 860 CA MET A 55 -1.516 -15.246 2.188 1.00 0.00 C ATOM 861 C MET A 55 -2.984 -15.184 2.599 1.00 0.00 C ATOM 862 O MET A 55 -3.643 -14.158 2.430 1.00 0.00 O ATOM 863 CB MET A 55 -1.406 -15.543 0.692 1.00 0.00 C ATOM 864 CG MET A 55 -1.848 -16.948 0.317 1.00 0.00 C ATOM 865 SD MET A 55 -2.069 -17.156 -1.461 1.00 0.00 S ATOM 866 CE MET A 55 -1.852 -18.926 -1.624 1.00 0.00 C ATOM 0 H MET A 55 -0.380 -16.996 2.398 1.00 0.00 H new ATOM 0 HA MET A 55 -1.058 -14.279 2.393 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.010 -14.822 0.141 1.00 0.00 H new ATOM 0 HB3 MET A 55 -0.373 -15.400 0.377 1.00 0.00 H new ATOM 0 HG2 MET A 55 -1.108 -17.665 0.673 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.785 -17.178 0.825 1.00 0.00 H new ATOM 0 HE1 MET A 55 -1.960 -19.211 -2.671 1.00 0.00 H new ATOM 0 HE2 MET A 55 -0.858 -19.205 -1.273 1.00 0.00 H new ATOM 0 HE3 MET A 55 -2.605 -19.441 -1.028 1.00 0.00 H new ATOM 876 N ARG A 56 -3.490 -16.288 3.140 1.00 0.00 N ATOM 877 CA ARG A 56 -4.880 -16.359 3.573 1.00 0.00 C ATOM 878 C ARG A 56 -5.013 -15.962 5.040 1.00 0.00 C ATOM 879 O ARG A 56 -6.053 -16.181 5.660 1.00 0.00 O ATOM 880 CB ARG A 56 -5.430 -17.771 3.364 1.00 0.00 C ATOM 881 CG ARG A 56 -5.605 -18.146 1.901 1.00 0.00 C ATOM 882 CD ARG A 56 -5.564 -19.653 1.704 1.00 0.00 C ATOM 883 NE ARG A 56 -6.247 -20.064 0.480 1.00 0.00 N ATOM 884 CZ ARG A 56 -6.641 -21.310 0.240 1.00 0.00 C ATOM 885 NH1 ARG A 56 -6.421 -22.262 1.137 1.00 0.00 N ATOM 886 NH2 ARG A 56 -7.256 -21.605 -0.897 1.00 0.00 N ATOM 0 H ARG A 56 -2.958 -17.145 3.289 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.458 -15.658 2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.758 -18.487 3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.392 -17.856 3.870 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.555 -17.756 1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.819 -17.679 1.308 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.527 -19.986 1.669 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.028 -20.143 2.560 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.432 -19.355 -0.230 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.949 -22.038 2.013 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.724 -23.218 0.951 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.427 -20.875 -1.589 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.558 -22.562 -1.080 1.00 0.00 H new ATOM 900 N GLN A 57 -3.952 -15.378 5.588 1.00 0.00 N ATOM 901 CA GLN A 57 -3.951 -14.951 6.983 1.00 0.00 C ATOM 902 C GLN A 57 -3.577 -13.478 7.101 1.00 0.00 C ATOM 903 O GLN A 57 -4.148 -12.746 7.910 1.00 0.00 O ATOM 904 CB GLN A 57 -2.977 -15.804 7.798 1.00 0.00 C ATOM 905 CG GLN A 57 -2.962 -15.463 9.279 1.00 0.00 C ATOM 906 CD GLN A 57 -1.754 -16.032 9.997 1.00 0.00 C ATOM 907 OE1 GLN A 57 -0.916 -15.291 10.510 1.00 0.00 O ATOM 908 NE2 GLN A 57 -1.659 -17.356 10.038 1.00 0.00 N ATOM 0 H GLN A 57 -3.083 -15.190 5.088 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.958 -15.084 7.378 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.240 -16.855 7.678 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.972 -15.679 7.395 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.974 -14.380 9.399 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.870 -15.845 9.745 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.377 -17.933 9.599 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.868 -17.796 10.508 1.00 0.00 H new ATOM 917 N ILE A 58 -2.615 -13.049 6.291 1.00 0.00 N ATOM 918 CA ILE A 58 -2.166 -11.663 6.305 1.00 0.00 C ATOM 919 C ILE A 58 -3.306 -10.712 5.956 1.00 0.00 C ATOM 920 O ILE A 58 -3.855 -10.763 4.855 1.00 0.00 O ATOM 921 CB ILE A 58 -1.004 -11.437 5.319 1.00 0.00 C ATOM 922 CG1 ILE A 58 0.173 -12.352 5.666 1.00 0.00 C ATOM 923 CG2 ILE A 58 -0.572 -9.979 5.335 1.00 0.00 C ATOM 924 CD1 ILE A 58 0.786 -12.061 7.018 1.00 0.00 C ATOM 0 H ILE A 58 -2.132 -13.642 5.617 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.819 -11.454 7.317 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.346 -11.683 4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.164 -13.388 5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.940 -12.250 4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.250 -9.835 4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.412 -9.348 5.045 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.244 -9.708 6.338 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.614 -12.747 7.197 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.154 -11.035 7.037 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.032 -12.191 7.795 1.00 0.00 H new ATOM 936 N ARG A 59 -3.656 -9.845 6.900 1.00 0.00 N ATOM 937 CA ARG A 59 -4.730 -8.881 6.692 1.00 0.00 C ATOM 938 C ARG A 59 -4.332 -7.503 7.210 1.00 0.00 C ATOM 939 O ARG A 59 -3.600 -7.385 8.193 1.00 0.00 O ATOM 940 CB ARG A 59 -6.008 -9.351 7.390 1.00 0.00 C ATOM 941 CG ARG A 59 -7.282 -8.870 6.717 1.00 0.00 C ATOM 942 CD ARG A 59 -8.520 -9.418 7.410 1.00 0.00 C ATOM 943 NE ARG A 59 -8.504 -10.877 7.486 1.00 0.00 N ATOM 944 CZ ARG A 59 -8.831 -11.669 6.471 1.00 0.00 C ATOM 945 NH1 ARG A 59 -9.198 -11.146 5.309 1.00 0.00 N ATOM 946 NH2 ARG A 59 -8.792 -12.987 6.617 1.00 0.00 N ATOM 0 H ARG A 59 -3.212 -9.790 7.816 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.915 -8.807 5.620 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.014 -10.440 7.423 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.998 -9.001 8.422 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.311 -7.780 6.727 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.282 -9.180 5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.586 -9.003 8.416 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.410 -9.093 6.872 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.227 -11.311 8.366 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.230 -10.133 5.193 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.449 -11.757 4.531 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.511 -13.393 7.509 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.043 -13.594 5.837 1.00 0.00 H new ATOM 960 N PHE A 60 -4.818 -6.462 6.542 1.00 0.00 N ATOM 961 CA PHE A 60 -4.512 -5.091 6.934 1.00 0.00 C ATOM 962 C PHE A 60 -5.508 -4.588 7.975 1.00 0.00 C ATOM 963 O PHE A 60 -6.710 -4.522 7.718 1.00 0.00 O ATOM 964 CB PHE A 60 -4.528 -4.173 5.710 1.00 0.00 C ATOM 965 CG PHE A 60 -3.351 -4.369 4.798 1.00 0.00 C ATOM 966 CD1 PHE A 60 -2.072 -4.038 5.215 1.00 0.00 C ATOM 967 CD2 PHE A 60 -3.524 -4.885 3.524 1.00 0.00 C ATOM 968 CE1 PHE A 60 -0.987 -4.218 4.378 1.00 0.00 C ATOM 969 CE2 PHE A 60 -2.443 -5.067 2.683 1.00 0.00 C ATOM 970 CZ PHE A 60 -1.173 -4.732 3.110 1.00 0.00 C ATOM 0 H PHE A 60 -5.425 -6.542 5.727 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.515 -5.079 7.375 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -5.446 -4.346 5.148 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -4.550 -3.136 6.044 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.921 -3.635 6.205 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -4.515 -5.148 3.184 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.005 -3.957 4.715 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -2.591 -5.471 1.692 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.327 -4.872 2.453 1.00 0.00 H new ATOM 980 N ARG A 61 -4.998 -4.234 9.150 1.00 0.00 N ATOM 981 CA ARG A 61 -5.842 -3.738 10.231 1.00 0.00 C ATOM 982 C ARG A 61 -5.219 -2.510 10.887 1.00 0.00 C ATOM 983 O ARG A 61 -4.066 -2.540 11.318 1.00 0.00 O ATOM 984 CB ARG A 61 -6.063 -4.832 11.277 1.00 0.00 C ATOM 985 CG ARG A 61 -7.152 -5.824 10.901 1.00 0.00 C ATOM 986 CD ARG A 61 -7.855 -6.373 12.132 1.00 0.00 C ATOM 987 NE ARG A 61 -8.753 -7.477 11.803 1.00 0.00 N ATOM 988 CZ ARG A 61 -9.617 -8.002 12.664 1.00 0.00 C ATOM 989 NH1 ARG A 61 -9.701 -7.526 13.898 1.00 0.00 N ATOM 990 NH2 ARG A 61 -10.401 -9.006 12.290 1.00 0.00 N ATOM 0 H ARG A 61 -4.005 -4.281 9.378 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.804 -3.452 9.806 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.128 -5.372 11.429 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.320 -4.366 12.228 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.880 -5.338 10.252 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.717 -6.646 10.333 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.111 -6.713 12.853 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.422 -5.575 12.612 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.714 -7.866 10.861 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.101 -6.754 14.189 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.366 -7.931 14.557 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.340 -9.375 11.341 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.064 -9.409 12.952 1.00 0.00 H new ATOM 1004 N PHE A 62 -5.989 -1.429 10.960 1.00 0.00 N ATOM 1005 CA PHE A 62 -5.513 -0.189 11.562 1.00 0.00 C ATOM 1006 C PHE A 62 -6.041 -0.039 12.986 1.00 0.00 C ATOM 1007 O PHE A 62 -6.982 -0.723 13.386 1.00 0.00 O ATOM 1008 CB PHE A 62 -5.942 1.011 10.717 1.00 0.00 C ATOM 1009 CG PHE A 62 -5.200 2.274 11.049 1.00 0.00 C ATOM 1010 CD1 PHE A 62 -3.827 2.352 10.879 1.00 0.00 C ATOM 1011 CD2 PHE A 62 -5.875 3.384 11.531 1.00 0.00 C ATOM 1012 CE1 PHE A 62 -3.141 3.512 11.183 1.00 0.00 C ATOM 1013 CE2 PHE A 62 -5.195 4.548 11.836 1.00 0.00 C ATOM 1014 CZ PHE A 62 -3.826 4.611 11.663 1.00 0.00 C ATOM 0 H PHE A 62 -6.946 -1.387 10.609 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.424 -0.226 11.599 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.790 0.776 9.663 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.010 1.179 10.855 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.286 1.495 10.504 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.945 3.339 11.670 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.071 3.559 11.046 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.733 5.407 12.209 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.292 5.519 11.903 1.00 0.00 H new ATOM 1024 N ASP A 63 -5.427 0.862 13.745 1.00 0.00 N ATOM 1025 CA ASP A 63 -5.834 1.104 15.125 1.00 0.00 C ATOM 1026 C ASP A 63 -7.118 1.926 15.176 1.00 0.00 C ATOM 1027 O ASP A 63 -7.151 3.010 15.757 1.00 0.00 O ATOM 1028 CB ASP A 63 -4.722 1.824 15.888 1.00 0.00 C ATOM 1029 CG ASP A 63 -4.871 1.689 17.391 1.00 0.00 C ATOM 1030 OD1 ASP A 63 -4.932 0.542 17.881 1.00 0.00 O ATOM 1031 OD2 ASP A 63 -4.925 2.731 18.077 1.00 0.00 O ATOM 0 H ASP A 63 -4.646 1.437 13.429 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.022 0.140 15.597 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.756 1.421 15.584 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.725 2.880 15.619 1.00 0.00 H new ATOM 1036 N GLY A 64 -8.175 1.403 14.561 1.00 0.00 N ATOM 1037 CA GLY A 64 -9.446 2.103 14.547 1.00 0.00 C ATOM 1038 C GLY A 64 -10.557 1.275 13.931 1.00 0.00 C ATOM 1039 O GLY A 64 -11.711 1.368 14.347 1.00 0.00 O ATOM 0 H GLY A 64 -8.173 0.508 14.073 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.720 2.372 15.567 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.339 3.034 13.990 1.00 0.00 H new ATOM 1043 N GLN A 65 -10.208 0.465 12.937 1.00 0.00 N ATOM 1044 CA GLN A 65 -11.185 -0.380 12.262 1.00 0.00 C ATOM 1045 C GLN A 65 -10.524 -1.207 11.164 1.00 0.00 C ATOM 1046 O GLN A 65 -9.457 -0.865 10.653 1.00 0.00 O ATOM 1047 CB GLN A 65 -12.306 0.474 11.668 1.00 0.00 C ATOM 1048 CG GLN A 65 -11.815 1.763 11.029 1.00 0.00 C ATOM 1049 CD GLN A 65 -12.876 2.435 10.180 1.00 0.00 C ATOM 1050 OE1 GLN A 65 -13.962 1.891 9.978 1.00 0.00 O ATOM 1051 NE2 GLN A 65 -12.568 3.625 9.678 1.00 0.00 N ATOM 0 H GLN A 65 -9.256 0.376 12.581 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.609 -1.061 13.000 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.841 -0.112 10.920 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.021 0.717 12.454 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -11.491 2.451 11.810 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.943 1.549 10.411 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.656 4.039 9.871 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.243 4.125 9.100 1.00 0.00 H new ATOM 1060 N PRO A 66 -11.170 -2.321 10.791 1.00 0.00 N ATOM 1061 CA PRO A 66 -10.663 -3.220 9.750 1.00 0.00 C ATOM 1062 C PRO A 66 -10.734 -2.596 8.360 1.00 0.00 C ATOM 1063 O PRO A 66 -11.071 -1.420 8.214 1.00 0.00 O ATOM 1064 CB PRO A 66 -11.595 -4.431 9.841 1.00 0.00 C ATOM 1065 CG PRO A 66 -12.857 -3.894 10.422 1.00 0.00 C ATOM 1066 CD PRO A 66 -12.446 -2.790 11.357 1.00 0.00 C ATOM 0 HA PRO A 66 -9.611 -3.463 9.899 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.767 -4.873 8.860 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.170 -5.212 10.472 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.517 -3.518 9.641 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -13.404 -4.672 10.954 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.189 -1.993 11.389 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -12.324 -3.152 12.378 1.00 0.00 H new ATOM 1074 N ILE A 67 -10.416 -3.390 7.343 1.00 0.00 N ATOM 1075 CA ILE A 67 -10.447 -2.914 5.965 1.00 0.00 C ATOM 1076 C ILE A 67 -11.135 -3.922 5.051 1.00 0.00 C ATOM 1077 O ILE A 67 -10.823 -5.112 5.076 1.00 0.00 O ATOM 1078 CB ILE A 67 -9.028 -2.641 5.433 1.00 0.00 C ATOM 1079 CG1 ILE A 67 -8.225 -1.827 6.451 1.00 0.00 C ATOM 1080 CG2 ILE A 67 -9.094 -1.913 4.099 1.00 0.00 C ATOM 1081 CD1 ILE A 67 -6.811 -1.528 6.005 1.00 0.00 C ATOM 0 H ILE A 67 -10.134 -4.365 7.447 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.012 -1.982 5.965 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.524 -3.595 5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.743 -0.887 6.643 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.192 -2.371 7.395 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.083 -1.727 3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.632 -2.526 3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.614 -0.964 4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.301 -0.949 6.775 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.276 -2.463 5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.835 -0.956 5.077 1.00 0.00 H new ATOM 1093 N ASN A 68 -12.072 -3.437 4.244 1.00 0.00 N ATOM 1094 CA ASN A 68 -12.805 -4.295 3.320 1.00 0.00 C ATOM 1095 C ASN A 68 -12.876 -3.665 1.932 1.00 0.00 C ATOM 1096 O ASN A 68 -12.281 -2.616 1.685 1.00 0.00 O ATOM 1097 CB ASN A 68 -14.217 -4.558 3.846 1.00 0.00 C ATOM 1098 CG ASN A 68 -14.215 -5.115 5.256 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -14.168 -6.329 5.456 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -14.265 -4.228 6.243 1.00 0.00 N ATOM 0 H ASN A 68 -12.342 -2.454 4.211 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.271 -5.242 3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.788 -3.630 3.826 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.724 -5.258 3.182 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.265 -4.544 7.213 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.303 -3.231 6.031 1.00 0.00 H new ATOM 1107 N GLU A 69 -13.607 -4.312 1.031 1.00 0.00 N ATOM 1108 CA GLU A 69 -13.755 -3.815 -0.332 1.00 0.00 C ATOM 1109 C GLU A 69 -12.412 -3.358 -0.894 1.00 0.00 C ATOM 1110 O GLU A 69 -12.349 -2.451 -1.724 1.00 0.00 O ATOM 1111 CB GLU A 69 -14.756 -2.658 -0.370 1.00 0.00 C ATOM 1112 CG GLU A 69 -14.217 -1.366 0.220 1.00 0.00 C ATOM 1113 CD GLU A 69 -14.974 -0.144 -0.261 1.00 0.00 C ATOM 1114 OE1 GLU A 69 -14.790 0.246 -1.432 1.00 0.00 O ATOM 1115 OE2 GLU A 69 -15.753 0.422 0.535 1.00 0.00 O ATOM 0 H GLU A 69 -14.106 -5.181 1.220 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.129 -4.631 -0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.053 -2.479 -1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.655 -2.949 0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.271 -1.417 1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.164 -1.263 -0.042 1.00 0.00 H new ATOM 1122 N THR A 70 -11.338 -3.992 -0.433 1.00 0.00 N ATOM 1123 CA THR A 70 -9.996 -3.651 -0.887 1.00 0.00 C ATOM 1124 C THR A 70 -9.819 -2.141 -0.995 1.00 0.00 C ATOM 1125 O THR A 70 -9.135 -1.649 -1.892 1.00 0.00 O ATOM 1126 CB THR A 70 -9.685 -4.292 -2.253 1.00 0.00 C ATOM 1127 OG1 THR A 70 -8.319 -4.050 -2.608 1.00 0.00 O ATOM 1128 CG2 THR A 70 -10.601 -3.735 -3.333 1.00 0.00 C ATOM 0 H THR A 70 -11.372 -4.745 0.255 1.00 0.00 H new ATOM 0 HA THR A 70 -9.302 -4.043 -0.144 1.00 0.00 H new ATOM 0 HB THR A 70 -9.854 -5.366 -2.173 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.134 -3.089 -2.559 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.363 -4.202 -4.289 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.639 -3.946 -3.074 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.458 -2.657 -3.411 1.00 0.00 H new ATOM 1136 N ASP A 71 -10.439 -1.411 -0.075 1.00 0.00 N ATOM 1137 CA ASP A 71 -10.349 0.045 -0.065 1.00 0.00 C ATOM 1138 C ASP A 71 -8.897 0.500 -0.175 1.00 0.00 C ATOM 1139 O ASP A 71 -7.978 -0.214 0.230 1.00 0.00 O ATOM 1140 CB ASP A 71 -10.978 0.608 1.210 1.00 0.00 C ATOM 1141 CG ASP A 71 -12.414 1.046 1.003 1.00 0.00 C ATOM 1142 OD1 ASP A 71 -12.718 1.589 -0.080 1.00 0.00 O ATOM 1143 OD2 ASP A 71 -13.235 0.847 1.923 1.00 0.00 O ATOM 0 H ASP A 71 -11.010 -1.803 0.674 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.896 0.424 -0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -10.941 -0.148 1.994 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.389 1.457 1.558 1.00 0.00 H new ATOM 1148 N THR A 72 -8.696 1.693 -0.726 1.00 0.00 N ATOM 1149 CA THR A 72 -7.356 2.242 -0.891 1.00 0.00 C ATOM 1150 C THR A 72 -6.941 3.056 0.329 1.00 0.00 C ATOM 1151 O THR A 72 -7.773 3.506 1.117 1.00 0.00 O ATOM 1152 CB THR A 72 -7.265 3.134 -2.144 1.00 0.00 C ATOM 1153 OG1 THR A 72 -8.517 3.790 -2.370 1.00 0.00 O ATOM 1154 CG2 THR A 72 -6.890 2.311 -3.367 1.00 0.00 C ATOM 0 H THR A 72 -9.444 2.297 -1.065 1.00 0.00 H new ATOM 0 HA THR A 72 -6.680 1.395 -1.006 1.00 0.00 H new ATOM 0 HB THR A 72 -6.489 3.881 -1.976 1.00 0.00 H new ATOM 0 HG1 THR A 72 -8.450 4.356 -3.167 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.832 2.962 -4.240 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.923 1.836 -3.203 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.647 1.545 -3.536 1.00 0.00 H new ATOM 1162 N PRO A 73 -5.624 3.252 0.491 1.00 0.00 N ATOM 1163 CA PRO A 73 -5.069 4.014 1.614 1.00 0.00 C ATOM 1164 C PRO A 73 -5.377 5.504 1.511 1.00 0.00 C ATOM 1165 O PRO A 73 -5.127 6.264 2.446 1.00 0.00 O ATOM 1166 CB PRO A 73 -3.562 3.770 1.498 1.00 0.00 C ATOM 1167 CG PRO A 73 -3.339 3.461 0.057 1.00 0.00 C ATOM 1168 CD PRO A 73 -4.575 2.744 -0.409 1.00 0.00 C ATOM 0 HA PRO A 73 -5.493 3.701 2.568 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.994 4.647 1.808 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.244 2.944 2.134 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.177 4.373 -0.517 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.454 2.839 -0.076 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.799 2.966 -1.452 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.466 1.662 -0.329 1.00 0.00 H new ATOM 1176 N ALA A 74 -5.922 5.914 0.370 1.00 0.00 N ATOM 1177 CA ALA A 74 -6.266 7.312 0.148 1.00 0.00 C ATOM 1178 C ALA A 74 -7.611 7.654 0.780 1.00 0.00 C ATOM 1179 O ALA A 74 -7.793 8.744 1.321 1.00 0.00 O ATOM 1180 CB ALA A 74 -6.289 7.619 -1.342 1.00 0.00 C ATOM 0 H ALA A 74 -6.134 5.297 -0.414 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.503 7.928 0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.547 8.667 -1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.306 7.422 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.030 6.988 -1.832 1.00 0.00 H new ATOM 1186 N GLN A 75 -8.550 6.716 0.707 1.00 0.00 N ATOM 1187 CA GLN A 75 -9.878 6.920 1.272 1.00 0.00 C ATOM 1188 C GLN A 75 -9.953 6.379 2.696 1.00 0.00 C ATOM 1189 O GLN A 75 -11.041 6.166 3.234 1.00 0.00 O ATOM 1190 CB GLN A 75 -10.936 6.240 0.400 1.00 0.00 C ATOM 1191 CG GLN A 75 -10.765 6.512 -1.086 1.00 0.00 C ATOM 1192 CD GLN A 75 -12.079 6.466 -1.842 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -12.530 7.474 -2.388 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -12.700 5.293 -1.878 1.00 0.00 N ATOM 0 H GLN A 75 -8.415 5.808 0.262 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.073 7.992 1.299 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.899 5.164 0.571 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.924 6.578 0.712 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.306 7.491 -1.222 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.080 5.777 -1.510 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.290 4.484 -1.411 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.587 5.201 -2.372 1.00 0.00 H new ATOM 1203 N LEU A 76 -8.792 6.160 3.302 1.00 0.00 N ATOM 1204 CA LEU A 76 -8.725 5.644 4.665 1.00 0.00 C ATOM 1205 C LEU A 76 -7.903 6.567 5.558 1.00 0.00 C ATOM 1206 O LEU A 76 -7.773 6.332 6.758 1.00 0.00 O ATOM 1207 CB LEU A 76 -8.120 4.239 4.670 1.00 0.00 C ATOM 1208 CG LEU A 76 -9.110 3.082 4.806 1.00 0.00 C ATOM 1209 CD1 LEU A 76 -10.211 3.197 3.764 1.00 0.00 C ATOM 1210 CD2 LEU A 76 -8.391 1.747 4.679 1.00 0.00 C ATOM 0 H LEU A 76 -7.883 6.332 2.871 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.740 5.598 5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.559 4.104 3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.404 4.176 5.490 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.566 3.134 5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.906 2.365 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.745 4.137 3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.772 3.171 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.111 0.935 4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.907 1.686 3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.639 1.663 5.463 1.00 0.00 H new ATOM 1222 N GLU A 77 -7.351 7.620 4.962 1.00 0.00 N ATOM 1223 CA GLU A 77 -6.542 8.580 5.705 1.00 0.00 C ATOM 1224 C GLU A 77 -5.440 7.872 6.488 1.00 0.00 C ATOM 1225 O GLU A 77 -5.414 7.913 7.717 1.00 0.00 O ATOM 1226 CB GLU A 77 -7.421 9.391 6.659 1.00 0.00 C ATOM 1227 CG GLU A 77 -8.639 10.006 5.991 1.00 0.00 C ATOM 1228 CD GLU A 77 -9.634 10.562 6.990 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -9.283 11.526 7.703 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -10.764 10.035 7.061 1.00 0.00 O ATOM 0 H GLU A 77 -7.449 7.830 3.969 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.077 9.256 4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.751 8.745 7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.822 10.185 7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.317 10.804 5.322 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.130 9.252 5.376 1.00 0.00 H new ATOM 1237 N MET A 78 -4.532 7.224 5.766 1.00 0.00 N ATOM 1238 CA MET A 78 -3.427 6.508 6.392 1.00 0.00 C ATOM 1239 C MET A 78 -2.093 6.928 5.784 1.00 0.00 C ATOM 1240 O MET A 78 -1.334 6.092 5.294 1.00 0.00 O ATOM 1241 CB MET A 78 -3.618 4.997 6.239 1.00 0.00 C ATOM 1242 CG MET A 78 -5.012 4.520 6.612 1.00 0.00 C ATOM 1243 SD MET A 78 -5.352 4.681 8.376 1.00 0.00 S ATOM 1244 CE MET A 78 -6.923 3.829 8.497 1.00 0.00 C ATOM 0 H MET A 78 -4.540 7.180 4.747 1.00 0.00 H new ATOM 0 HA MET A 78 -3.418 6.760 7.452 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.411 4.716 5.207 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.888 4.482 6.863 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.750 5.092 6.050 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.126 3.477 6.318 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.487 4.224 9.342 1.00 0.00 H new ATOM 0 HE2 MET A 78 -7.491 3.980 7.579 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.748 2.763 8.644 1.00 0.00 H new ATOM 1254 N GLU A 79 -1.814 8.227 5.820 1.00 0.00 N ATOM 1255 CA GLU A 79 -0.571 8.756 5.271 1.00 0.00 C ATOM 1256 C GLU A 79 0.304 9.346 6.374 1.00 0.00 C ATOM 1257 O GLU A 79 0.051 9.136 7.560 1.00 0.00 O ATOM 1258 CB GLU A 79 -0.867 9.823 4.215 1.00 0.00 C ATOM 1259 CG GLU A 79 -2.214 9.647 3.534 1.00 0.00 C ATOM 1260 CD GLU A 79 -2.374 10.539 2.318 1.00 0.00 C ATOM 1261 OE1 GLU A 79 -1.473 11.367 2.068 1.00 0.00 O ATOM 1262 OE2 GLU A 79 -3.399 10.410 1.617 1.00 0.00 O ATOM 0 H GLU A 79 -2.431 8.932 6.223 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.031 7.932 4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.832 10.806 4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.082 9.802 3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.332 8.606 3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.009 9.865 4.247 1.00 0.00 H new ATOM 1269 N ASP A 80 1.333 10.083 5.973 1.00 0.00 N ATOM 1270 CA ASP A 80 2.246 10.704 6.926 1.00 0.00 C ATOM 1271 C ASP A 80 2.988 9.646 7.737 1.00 0.00 C ATOM 1272 O ASP A 80 3.065 9.731 8.962 1.00 0.00 O ATOM 1273 CB ASP A 80 1.479 11.638 7.864 1.00 0.00 C ATOM 1274 CG ASP A 80 2.380 12.665 8.522 1.00 0.00 C ATOM 1275 OD1 ASP A 80 3.521 12.846 8.046 1.00 0.00 O ATOM 1276 OD2 ASP A 80 1.945 13.288 9.513 1.00 0.00 O ATOM 0 H ASP A 80 1.556 10.265 4.995 1.00 0.00 H new ATOM 0 HA ASP A 80 2.978 11.285 6.365 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.698 12.151 7.303 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.983 11.048 8.634 1.00 0.00 H new ATOM 1281 N GLU A 81 3.530 8.650 7.044 1.00 0.00 N ATOM 1282 CA GLU A 81 4.264 7.575 7.701 1.00 0.00 C ATOM 1283 C GLU A 81 3.348 6.775 8.623 1.00 0.00 C ATOM 1284 O GLU A 81 3.724 6.433 9.744 1.00 0.00 O ATOM 1285 CB GLU A 81 5.440 8.142 8.499 1.00 0.00 C ATOM 1286 CG GLU A 81 6.242 9.187 7.741 1.00 0.00 C ATOM 1287 CD GLU A 81 7.417 9.714 8.542 1.00 0.00 C ATOM 1288 OE1 GLU A 81 8.306 8.911 8.890 1.00 0.00 O ATOM 1289 OE2 GLU A 81 7.446 10.932 8.819 1.00 0.00 O ATOM 0 H GLU A 81 3.475 8.565 6.029 1.00 0.00 H new ATOM 0 HA GLU A 81 4.647 6.908 6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.063 8.584 9.421 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.102 7.325 8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.607 8.754 6.809 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.588 10.017 7.473 1.00 0.00 H new ATOM 1296 N ASP A 82 2.146 6.481 8.142 1.00 0.00 N ATOM 1297 CA ASP A 82 1.175 5.721 8.921 1.00 0.00 C ATOM 1298 C ASP A 82 1.590 4.257 9.027 1.00 0.00 C ATOM 1299 O ASP A 82 1.972 3.635 8.035 1.00 0.00 O ATOM 1300 CB ASP A 82 -0.214 5.826 8.289 1.00 0.00 C ATOM 1301 CG ASP A 82 -1.268 6.277 9.280 1.00 0.00 C ATOM 1302 OD1 ASP A 82 -1.031 7.283 9.982 1.00 0.00 O ATOM 1303 OD2 ASP A 82 -2.331 5.625 9.355 1.00 0.00 O ATOM 0 H ASP A 82 1.820 6.757 7.216 1.00 0.00 H new ATOM 0 HA ASP A 82 1.141 6.144 9.925 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.179 6.528 7.456 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.497 4.857 7.878 1.00 0.00 H new ATOM 1308 N THR A 83 1.512 3.711 10.237 1.00 0.00 N ATOM 1309 CA THR A 83 1.882 2.321 10.473 1.00 0.00 C ATOM 1310 C THR A 83 0.656 1.415 10.449 1.00 0.00 C ATOM 1311 O THR A 83 -0.171 1.450 11.361 1.00 0.00 O ATOM 1312 CB THR A 83 2.604 2.153 11.823 1.00 0.00 C ATOM 1313 OG1 THR A 83 3.563 3.202 11.999 1.00 0.00 O ATOM 1314 CG2 THR A 83 3.302 0.803 11.899 1.00 0.00 C ATOM 0 H THR A 83 1.196 4.210 11.068 1.00 0.00 H new ATOM 0 HA THR A 83 2.560 2.033 9.669 1.00 0.00 H new ATOM 0 HB THR A 83 1.859 2.205 12.617 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.017 3.089 12.860 1.00 0.00 H new ATOM 0 HG21 THR A 83 3.805 0.707 12.861 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.566 0.006 11.793 1.00 0.00 H new ATOM 0 HG23 THR A 83 4.036 0.727 11.097 1.00 0.00 H new ATOM 1322 N ILE A 84 0.546 0.604 9.403 1.00 0.00 N ATOM 1323 CA ILE A 84 -0.579 -0.313 9.263 1.00 0.00 C ATOM 1324 C ILE A 84 -0.277 -1.657 9.917 1.00 0.00 C ATOM 1325 O ILE A 84 0.626 -2.378 9.491 1.00 0.00 O ATOM 1326 CB ILE A 84 -0.936 -0.544 7.782 1.00 0.00 C ATOM 1327 CG1 ILE A 84 -1.051 0.794 7.049 1.00 0.00 C ATOM 1328 CG2 ILE A 84 -2.233 -1.331 7.667 1.00 0.00 C ATOM 1329 CD1 ILE A 84 -2.089 1.721 7.642 1.00 0.00 C ATOM 0 H ILE A 84 1.222 0.563 8.640 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.428 0.150 9.765 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.139 -1.125 7.317 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.081 1.291 7.063 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.298 0.606 6.004 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.472 -1.486 6.615 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.118 -2.297 8.159 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.040 -0.775 8.144 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.115 2.650 7.072 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.068 1.243 7.603 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.832 1.939 8.679 1.00 0.00 H new ATOM 1341 N ASP A 85 -1.040 -1.990 10.952 1.00 0.00 N ATOM 1342 CA ASP A 85 -0.857 -3.249 11.664 1.00 0.00 C ATOM 1343 C ASP A 85 -1.440 -4.413 10.868 1.00 0.00 C ATOM 1344 O ASP A 85 -2.479 -4.278 10.222 1.00 0.00 O ATOM 1345 CB ASP A 85 -1.512 -3.180 13.044 1.00 0.00 C ATOM 1346 CG ASP A 85 -0.601 -2.564 14.087 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -0.215 -1.389 13.918 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -0.273 -3.258 15.072 1.00 0.00 O ATOM 0 H ASP A 85 -1.792 -1.405 11.317 1.00 0.00 H new ATOM 0 HA ASP A 85 0.213 -3.416 11.787 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.431 -2.597 12.978 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.794 -4.184 13.360 1.00 0.00 H new ATOM 1353 N VAL A 86 -0.763 -5.556 10.918 1.00 0.00 N ATOM 1354 CA VAL A 86 -1.213 -6.743 10.202 1.00 0.00 C ATOM 1355 C VAL A 86 -1.960 -7.694 11.130 1.00 0.00 C ATOM 1356 O VAL A 86 -1.830 -7.617 12.352 1.00 0.00 O ATOM 1357 CB VAL A 86 -0.031 -7.493 9.560 1.00 0.00 C ATOM 1358 CG1 VAL A 86 0.728 -8.292 10.608 1.00 0.00 C ATOM 1359 CG2 VAL A 86 -0.521 -8.399 8.440 1.00 0.00 C ATOM 0 H VAL A 86 0.099 -5.685 11.447 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.887 -6.402 9.416 1.00 0.00 H new ATOM 0 HB VAL A 86 0.652 -6.760 9.132 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.559 -8.815 10.135 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.112 -7.617 11.373 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.058 -9.018 11.068 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.327 -8.921 7.997 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.226 -9.127 8.843 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.016 -7.799 7.677 1.00 0.00 H new ATOM 1369 N PHE A 87 -2.744 -8.592 10.542 1.00 0.00 N ATOM 1370 CA PHE A 87 -3.514 -9.559 11.316 1.00 0.00 C ATOM 1371 C PHE A 87 -3.017 -10.979 11.061 1.00 0.00 C ATOM 1372 O PHE A 87 -3.123 -11.493 9.949 1.00 0.00 O ATOM 1373 CB PHE A 87 -5.000 -9.456 10.968 1.00 0.00 C ATOM 1374 CG PHE A 87 -5.899 -10.108 11.979 1.00 0.00 C ATOM 1375 CD1 PHE A 87 -5.767 -9.824 13.328 1.00 0.00 C ATOM 1376 CD2 PHE A 87 -6.877 -11.005 11.579 1.00 0.00 C ATOM 1377 CE1 PHE A 87 -6.593 -10.424 14.261 1.00 0.00 C ATOM 1378 CE2 PHE A 87 -7.706 -11.607 12.507 1.00 0.00 C ATOM 1379 CZ PHE A 87 -7.564 -11.315 13.849 1.00 0.00 C ATOM 0 H PHE A 87 -2.863 -8.670 9.532 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.379 -9.330 12.373 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.272 -8.404 10.877 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.169 -9.915 9.994 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.010 -9.126 13.655 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.993 -11.236 10.530 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.479 -10.196 15.310 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.464 -12.305 12.183 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.212 -11.783 14.576 1.00 0.00 H new