USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=6 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 76 THR OG1 : rot 172:sc= -0.468 USER MOD Set 1.2: A 78 ASN : amide:sc= -0.248 X(o=-0.73,f=-1.1) USER MOD Set 1.3: A 79 ASN : amide:sc= -0.0135 K(o=-0.73,f=-1.6) USER MOD Single : A 13 ASN : amide:sc= -0.0858 X(o=-0.086,f=-0.0028) USER MOD Single : A 14 HIS : no HD1:sc= -0.727 K(o=-0.73,f=-2.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.265 K(o=-0.26,f=-1.8!) USER MOD Single : A 25 THR OG1 : rot 152:sc= 1.18 USER MOD Single : A 26 ASN : amide:sc= -6.27! C(o=-6.3!,f=-23!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0.235 X(o=0.23,f=-0.087) USER MOD Single : A 36 GLN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -1.74 X(o=-1.7,f=-1.3) USER MOD Single : A 59 ASN : amide:sc= -1.79 K(o=-1.8,f=-20!) USER MOD Single : A 62 GLN : amide:sc= -4.01! C(o=-4!,f=-16!) USER MOD Single : A 71 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.17) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.246 K(o=-0.25,f=-4.2!) USER MOD Single : A 81 MET CE :methyl 152:sc= -1.46 (180deg=-4.87!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -172:sc= -1.46 USER MOD ----------------------------------------------------------------- ATOM 172 N ASN A 13 -9.446 -2.467 -4.220 1.00 0.00 N ATOM 173 CA ASN A 13 -8.304 -1.942 -3.433 1.00 0.00 C ATOM 174 C ASN A 13 -7.223 -1.290 -4.290 1.00 0.00 C ATOM 175 O ASN A 13 -6.416 -1.959 -4.918 1.00 0.00 O ATOM 176 CB ASN A 13 -7.632 -3.076 -2.623 1.00 0.00 C ATOM 177 CG ASN A 13 -8.731 -3.903 -1.922 1.00 0.00 C ATOM 178 OD1 ASN A 13 -8.770 -5.100 -2.049 1.00 0.00 O ATOM 179 ND2 ASN A 13 -9.583 -3.222 -1.207 1.00 0.00 N ATOM 0 HA ASN A 13 -8.733 -1.183 -2.779 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.043 -3.713 -3.282 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.946 -2.658 -1.886 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.336 -3.703 -0.716 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.496 -2.208 -1.139 1.00 0.00 H new ATOM 186 N HIS A 14 -7.228 0.007 -4.298 1.00 0.00 N ATOM 187 CA HIS A 14 -6.244 0.810 -5.081 1.00 0.00 C ATOM 188 C HIS A 14 -5.546 1.823 -4.137 1.00 0.00 C ATOM 189 O HIS A 14 -4.945 2.809 -4.525 1.00 0.00 O ATOM 190 CB HIS A 14 -6.901 1.626 -6.193 1.00 0.00 C ATOM 191 CG HIS A 14 -8.186 2.283 -5.755 1.00 0.00 C ATOM 192 ND1 HIS A 14 -9.287 1.532 -5.332 1.00 0.00 N ATOM 193 CD2 HIS A 14 -8.542 3.597 -5.677 1.00 0.00 C ATOM 194 CE1 HIS A 14 -10.220 2.451 -5.032 1.00 0.00 C ATOM 195 NE2 HIS A 14 -9.840 3.726 -5.215 1.00 0.00 N ATOM 0 H HIS A 14 -7.899 0.570 -3.775 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.545 0.101 -5.524 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.205 2.392 -6.535 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -7.103 0.976 -7.044 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.899 4.424 -5.940 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.202 2.184 -4.671 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -10.376 4.579 -5.053 1.00 0.00 H new ATOM 204 N ILE A 15 -5.607 1.607 -2.834 1.00 0.00 N ATOM 205 CA ILE A 15 -4.982 2.527 -1.840 1.00 0.00 C ATOM 206 C ILE A 15 -4.593 1.603 -0.661 1.00 0.00 C ATOM 207 O ILE A 15 -5.453 1.099 -0.001 1.00 0.00 O ATOM 208 CB ILE A 15 -5.850 3.683 -1.359 1.00 0.00 C ATOM 209 CG1 ILE A 15 -5.555 4.900 -2.266 1.00 0.00 C ATOM 210 CG2 ILE A 15 -5.391 4.027 0.054 1.00 0.00 C ATOM 211 CD1 ILE A 15 -6.264 6.152 -1.799 1.00 0.00 C ATOM 0 H ILE A 15 -6.080 0.805 -2.417 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.144 3.044 -2.307 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.910 3.430 -1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.480 5.081 -2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.861 4.672 -3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.988 4.853 0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.516 3.157 0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.340 4.316 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.024 6.977 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.341 5.983 -1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.939 6.399 -0.788 1.00 0.00 H new ATOM 223 N LEU A 16 -3.300 1.450 -0.467 1.00 0.00 N ATOM 224 CA LEU A 16 -2.768 0.583 0.619 1.00 0.00 C ATOM 225 C LEU A 16 -1.901 1.447 1.578 1.00 0.00 C ATOM 226 O LEU A 16 -0.883 1.997 1.229 1.00 0.00 O ATOM 227 CB LEU A 16 -1.940 -0.524 -0.001 1.00 0.00 C ATOM 228 CG LEU A 16 -2.570 -0.979 -1.329 1.00 0.00 C ATOM 229 CD1 LEU A 16 -1.738 -0.447 -2.479 1.00 0.00 C ATOM 230 CD2 LEU A 16 -2.679 -2.512 -1.378 1.00 0.00 C ATOM 0 H LEU A 16 -2.583 1.903 -1.033 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.583 0.138 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.922 -0.174 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.874 -1.367 0.686 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.581 -0.580 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.178 -0.765 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.715 0.642 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.722 -0.835 -2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.127 -2.815 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.685 -2.950 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.303 -2.859 -0.554 1.00 0.00 H new ATOM 242 N PHE A 17 -2.451 1.528 2.794 1.00 0.00 N ATOM 243 CA PHE A 17 -1.972 2.335 3.910 1.00 0.00 C ATOM 244 C PHE A 17 -1.614 1.352 5.046 1.00 0.00 C ATOM 245 O PHE A 17 -2.429 0.554 5.358 1.00 0.00 O ATOM 246 CB PHE A 17 -2.946 3.342 4.476 1.00 0.00 C ATOM 247 CG PHE A 17 -2.651 3.482 5.966 1.00 0.00 C ATOM 248 CD1 PHE A 17 -1.376 3.969 6.347 1.00 0.00 C ATOM 249 CD2 PHE A 17 -3.604 3.144 6.953 1.00 0.00 C ATOM 250 CE1 PHE A 17 -1.030 4.127 7.707 1.00 0.00 C ATOM 251 CE2 PHE A 17 -3.263 3.301 8.299 1.00 0.00 C ATOM 252 CZ PHE A 17 -1.994 3.785 8.667 1.00 0.00 C ATOM 0 H PHE A 17 -3.290 1.000 3.035 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.140 2.923 3.523 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.839 4.303 3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.973 3.012 4.318 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.656 4.224 5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.578 2.771 6.672 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.058 4.498 7.998 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.981 3.048 9.065 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.756 3.896 9.715 1.00 0.00 H new ATOM 262 N LEU A 18 -0.412 1.480 5.471 1.00 0.00 N ATOM 263 CA LEU A 18 0.052 0.666 6.567 1.00 0.00 C ATOM 264 C LEU A 18 1.487 1.072 6.768 1.00 0.00 C ATOM 265 O LEU A 18 1.953 2.009 6.156 1.00 0.00 O ATOM 266 CB LEU A 18 -0.313 -0.783 6.653 1.00 0.00 C ATOM 267 CG LEU A 18 -1.708 -1.029 7.292 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.658 -2.250 8.237 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.200 0.126 8.124 1.00 0.00 C ATOM 0 H LEU A 18 0.275 2.131 5.090 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.551 0.874 7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.299 -1.214 5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.444 -1.307 7.237 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.383 -1.180 6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.642 -2.410 8.677 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.365 -3.135 7.673 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.932 -2.068 9.029 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.179 -0.115 8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.498 0.314 8.936 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.280 1.016 7.500 1.00 0.00 H new ATOM 281 N THR A 19 2.078 0.475 7.671 1.00 0.00 N ATOM 282 CA THR A 19 3.412 0.800 8.091 1.00 0.00 C ATOM 283 C THR A 19 4.099 -0.549 8.321 1.00 0.00 C ATOM 284 O THR A 19 3.549 -1.624 8.123 1.00 0.00 O ATOM 285 CB THR A 19 3.269 1.416 9.511 1.00 0.00 C ATOM 286 OG1 THR A 19 3.003 0.298 10.373 1.00 0.00 O ATOM 287 CG2 THR A 19 2.068 2.334 9.588 1.00 0.00 C ATOM 0 H THR A 19 1.663 -0.298 8.191 1.00 0.00 H new ATOM 0 HA THR A 19 3.934 1.449 7.388 1.00 0.00 H new ATOM 0 HB THR A 19 4.160 1.987 9.775 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.902 0.613 11.295 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.992 2.751 10.592 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.182 3.143 8.867 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.164 1.770 9.360 1.00 0.00 H new ATOM 295 N ASN A 20 5.248 -0.424 8.687 1.00 0.00 N ATOM 296 CA ASN A 20 6.192 -1.545 9.048 1.00 0.00 C ATOM 297 C ASN A 20 7.443 -1.491 8.154 1.00 0.00 C ATOM 298 O ASN A 20 7.904 -2.481 7.612 1.00 0.00 O ATOM 299 CB ASN A 20 5.540 -2.904 9.106 1.00 0.00 C ATOM 300 CG ASN A 20 6.419 -3.836 9.977 1.00 0.00 C ATOM 301 OD1 ASN A 20 7.618 -3.765 10.002 1.00 0.00 O ATOM 302 ND2 ASN A 20 5.791 -4.722 10.700 1.00 0.00 N ATOM 0 H ASN A 20 5.683 0.494 8.783 1.00 0.00 H new ATOM 0 HA ASN A 20 6.514 -1.383 10.077 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.538 -2.825 9.528 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.432 -3.315 8.102 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.318 -5.362 11.293 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.773 -4.774 10.672 1.00 0.00 H new ATOM 309 N LEU A 21 7.960 -0.303 8.049 1.00 0.00 N ATOM 310 CA LEU A 21 9.206 -0.037 7.253 1.00 0.00 C ATOM 311 C LEU A 21 10.176 0.633 8.256 1.00 0.00 C ATOM 312 O LEU A 21 10.190 1.849 8.358 1.00 0.00 O ATOM 313 CB LEU A 21 8.833 0.892 6.121 1.00 0.00 C ATOM 314 CG LEU A 21 7.310 1.068 5.992 1.00 0.00 C ATOM 315 CD1 LEU A 21 6.955 2.137 4.945 1.00 0.00 C ATOM 316 CD2 LEU A 21 6.651 -0.229 5.513 1.00 0.00 C ATOM 0 H LEU A 21 7.564 0.526 8.493 1.00 0.00 H new ATOM 0 HA LEU A 21 9.664 -0.924 6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.297 1.865 6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.232 0.501 5.185 1.00 0.00 H new ATOM 0 HG LEU A 21 6.953 1.357 6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.872 2.236 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.390 3.092 5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.352 1.841 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.574 -0.081 5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.056 -0.505 4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.853 -1.026 6.229 1.00 0.00 H new ATOM 328 N PRO A 22 10.907 -0.198 8.926 1.00 0.00 N ATOM 329 CA PRO A 22 11.897 0.094 9.954 1.00 0.00 C ATOM 330 C PRO A 22 12.395 1.530 9.974 1.00 0.00 C ATOM 331 O PRO A 22 11.992 2.298 10.826 1.00 0.00 O ATOM 332 CB PRO A 22 13.026 -0.908 9.615 1.00 0.00 C ATOM 333 CG PRO A 22 12.200 -2.219 9.487 1.00 0.00 C ATOM 334 CD PRO A 22 10.911 -1.670 8.816 1.00 0.00 C ATOM 0 HA PRO A 22 11.482 -0.012 10.956 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.546 -0.652 8.692 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.780 -0.966 10.400 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.701 -2.968 8.874 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.001 -2.681 10.454 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.874 -1.970 7.769 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.027 -2.087 9.299 1.00 0.00 H new ATOM 342 N GLU A 23 13.263 1.925 9.082 1.00 0.00 N ATOM 343 CA GLU A 23 13.776 3.310 9.111 1.00 0.00 C ATOM 344 C GLU A 23 14.799 3.436 7.977 1.00 0.00 C ATOM 345 O GLU A 23 14.927 4.463 7.364 1.00 0.00 O ATOM 346 CB GLU A 23 14.544 3.588 10.420 1.00 0.00 C ATOM 347 CG GLU A 23 14.660 5.089 10.665 1.00 0.00 C ATOM 348 CD GLU A 23 16.121 5.528 10.668 1.00 0.00 C ATOM 349 OE1 GLU A 23 16.795 5.286 9.687 1.00 0.00 O ATOM 350 OE2 GLU A 23 16.587 6.103 11.636 1.00 0.00 O ATOM 0 H GLU A 23 13.636 1.340 8.334 1.00 0.00 H new ATOM 0 HA GLU A 23 12.938 4.001 9.020 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.030 3.116 11.257 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.538 3.145 10.366 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.115 5.631 9.892 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.198 5.343 11.619 1.00 0.00 H new ATOM 357 N GLU A 24 15.506 2.352 7.738 1.00 0.00 N ATOM 358 CA GLU A 24 16.535 2.341 6.650 1.00 0.00 C ATOM 359 C GLU A 24 15.760 2.460 5.323 1.00 0.00 C ATOM 360 O GLU A 24 16.290 2.747 4.266 1.00 0.00 O ATOM 361 CB GLU A 24 17.302 1.034 6.682 1.00 0.00 C ATOM 362 CG GLU A 24 16.396 -0.169 6.973 1.00 0.00 C ATOM 363 CD GLU A 24 17.040 -1.491 6.606 1.00 0.00 C ATOM 364 OE1 GLU A 24 18.224 -1.549 6.375 1.00 0.00 O ATOM 365 OE2 GLU A 24 16.308 -2.456 6.562 1.00 0.00 O ATOM 0 H GLU A 24 15.413 1.476 8.251 1.00 0.00 H new ATOM 0 HA GLU A 24 17.251 3.155 6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.802 0.886 5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 24 18.081 1.091 7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.139 -0.177 8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.463 -0.058 6.420 1.00 0.00 H new ATOM 372 N THR A 25 14.472 2.231 5.395 1.00 0.00 N ATOM 373 CA THR A 25 13.590 2.311 4.189 1.00 0.00 C ATOM 374 C THR A 25 13.734 3.643 3.472 1.00 0.00 C ATOM 375 O THR A 25 14.342 4.573 3.986 1.00 0.00 O ATOM 376 CB THR A 25 12.122 2.218 4.661 1.00 0.00 C ATOM 377 OG1 THR A 25 12.020 3.015 5.825 1.00 0.00 O ATOM 378 CG2 THR A 25 11.764 0.774 4.986 1.00 0.00 C ATOM 0 H THR A 25 13.985 1.987 6.257 1.00 0.00 H new ATOM 0 HA THR A 25 13.871 1.504 3.512 1.00 0.00 H new ATOM 0 HB THR A 25 11.439 2.563 3.885 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.104 3.353 5.911 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.727 0.722 5.317 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.892 0.158 4.096 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.417 0.407 5.778 1.00 0.00 H new ATOM 386 N ASN A 26 13.198 3.778 2.303 1.00 0.00 N ATOM 387 CA ASN A 26 13.357 5.109 1.616 1.00 0.00 C ATOM 388 C ASN A 26 12.093 5.415 0.807 1.00 0.00 C ATOM 389 O ASN A 26 11.405 4.552 0.270 1.00 0.00 O ATOM 390 CB ASN A 26 14.648 5.116 0.822 1.00 0.00 C ATOM 391 CG ASN A 26 14.561 5.794 -0.526 1.00 0.00 C ATOM 392 OD1 ASN A 26 13.785 6.646 -0.860 1.00 0.00 O ATOM 393 ND2 ASN A 26 15.435 5.404 -1.435 1.00 0.00 N ATOM 0 H ASN A 26 12.673 3.065 1.796 1.00 0.00 H new ATOM 0 HA ASN A 26 13.452 5.925 2.332 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.418 5.611 1.413 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.973 4.086 0.674 1.00 0.00 H new ATOM 0 HD21 ASN A 26 15.426 5.824 -2.364 1.00 0.00 H new ATOM 0 HD22 ASN A 26 16.119 4.683 -1.208 1.00 0.00 H new ATOM 400 N GLU A 27 11.740 6.671 0.710 1.00 0.00 N ATOM 401 CA GLU A 27 10.549 7.190 0.010 1.00 0.00 C ATOM 402 C GLU A 27 10.609 6.918 -1.517 1.00 0.00 C ATOM 403 O GLU A 27 9.648 6.466 -2.066 1.00 0.00 O ATOM 404 CB GLU A 27 10.456 8.730 0.106 1.00 0.00 C ATOM 405 CG GLU A 27 11.100 9.248 1.376 1.00 0.00 C ATOM 406 CD GLU A 27 12.534 9.753 1.101 1.00 0.00 C ATOM 407 OE1 GLU A 27 12.639 10.513 0.162 1.00 0.00 O ATOM 408 OE2 GLU A 27 13.433 9.367 1.820 1.00 0.00 O ATOM 0 H GLU A 27 12.293 7.416 1.134 1.00 0.00 H new ATOM 0 HA GLU A 27 9.708 6.688 0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.943 9.179 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.410 9.035 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.498 10.057 1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.126 8.456 2.124 1.00 0.00 H new ATOM 415 N LEU A 28 11.737 7.230 -2.086 1.00 0.00 N ATOM 416 CA LEU A 28 12.013 7.057 -3.554 1.00 0.00 C ATOM 417 C LEU A 28 12.222 5.549 -3.802 1.00 0.00 C ATOM 418 O LEU A 28 12.074 5.001 -4.861 1.00 0.00 O ATOM 419 CB LEU A 28 13.266 7.863 -3.915 1.00 0.00 C ATOM 420 CG LEU A 28 13.779 7.546 -5.312 1.00 0.00 C ATOM 421 CD1 LEU A 28 13.416 8.724 -6.228 1.00 0.00 C ATOM 422 CD2 LEU A 28 15.312 7.438 -5.272 1.00 0.00 C ATOM 0 H LEU A 28 12.526 7.620 -1.570 1.00 0.00 H new ATOM 0 HA LEU A 28 11.191 7.417 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.042 8.927 -3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.050 7.655 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 28 13.343 6.614 -5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.773 8.523 -7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 28 12.334 8.852 -6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.884 9.634 -5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.687 7.211 -6.270 1.00 0.00 H new ATOM 0 HD22 LEU A 28 15.735 8.383 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.603 6.643 -4.586 1.00 0.00 H new ATOM 434 N MET A 29 12.575 4.859 -2.734 1.00 0.00 N ATOM 435 CA MET A 29 12.799 3.365 -2.815 1.00 0.00 C ATOM 436 C MET A 29 11.445 2.717 -3.057 1.00 0.00 C ATOM 437 O MET A 29 11.142 2.021 -4.028 1.00 0.00 O ATOM 438 CB MET A 29 13.289 2.896 -1.446 1.00 0.00 C ATOM 439 CG MET A 29 14.031 1.553 -1.614 1.00 0.00 C ATOM 440 SD MET A 29 13.528 0.471 -0.264 1.00 0.00 S ATOM 441 CE MET A 29 15.167 -0.032 0.316 1.00 0.00 C ATOM 0 H MET A 29 12.718 5.263 -1.809 1.00 0.00 H new ATOM 0 HA MET A 29 13.512 3.112 -3.600 1.00 0.00 H new ATOM 0 HB2 MET A 29 13.953 3.641 -1.008 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.447 2.779 -0.764 1.00 0.00 H new ATOM 0 HG2 MET A 29 13.789 1.101 -2.576 1.00 0.00 H new ATOM 0 HG3 MET A 29 15.110 1.708 -1.597 1.00 0.00 H new ATOM 0 HE1 MET A 29 15.061 -0.713 1.160 1.00 0.00 H new ATOM 0 HE2 MET A 29 15.700 -0.535 -0.491 1.00 0.00 H new ATOM 0 HE3 MET A 29 15.728 0.849 0.628 1.00 0.00 H new ATOM 451 N LEU A 30 10.565 2.998 -2.120 1.00 0.00 N ATOM 452 CA LEU A 30 9.172 2.507 -2.160 1.00 0.00 C ATOM 453 C LEU A 30 8.506 3.206 -3.363 1.00 0.00 C ATOM 454 O LEU A 30 7.630 2.732 -4.021 1.00 0.00 O ATOM 455 CB LEU A 30 8.444 2.846 -0.845 1.00 0.00 C ATOM 456 CG LEU A 30 8.540 1.719 0.195 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.273 2.176 1.461 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.160 1.165 0.571 1.00 0.00 C ATOM 0 H LEU A 30 10.778 3.571 -1.303 1.00 0.00 H new ATOM 0 HA LEU A 30 9.130 1.423 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.867 3.759 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.395 3.050 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 30 9.116 0.921 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.320 1.351 2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.284 2.491 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.737 3.012 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.275 0.371 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.549 1.964 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.673 0.766 -0.319 1.00 0.00 H new ATOM 470 N SER A 31 8.969 4.398 -3.676 1.00 0.00 N ATOM 471 CA SER A 31 8.375 5.134 -4.844 1.00 0.00 C ATOM 472 C SER A 31 8.763 4.431 -6.161 1.00 0.00 C ATOM 473 O SER A 31 8.001 4.295 -7.089 1.00 0.00 O ATOM 474 CB SER A 31 8.849 6.572 -4.925 1.00 0.00 C ATOM 475 OG SER A 31 8.073 7.209 -5.950 1.00 0.00 O ATOM 0 H SER A 31 9.718 4.885 -3.184 1.00 0.00 H new ATOM 0 HA SER A 31 7.295 5.131 -4.698 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.715 7.077 -3.969 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.912 6.616 -5.162 1.00 0.00 H new ATOM 0 HG SER A 31 8.348 8.146 -6.034 1.00 0.00 H new ATOM 481 N MET A 32 9.965 3.970 -6.223 1.00 0.00 N ATOM 482 CA MET A 32 10.368 3.268 -7.490 1.00 0.00 C ATOM 483 C MET A 32 9.764 1.866 -7.467 1.00 0.00 C ATOM 484 O MET A 32 9.467 1.226 -8.473 1.00 0.00 O ATOM 485 CB MET A 32 11.893 3.264 -7.555 1.00 0.00 C ATOM 486 CG MET A 32 12.363 1.806 -7.468 1.00 0.00 C ATOM 487 SD MET A 32 14.137 1.746 -7.819 1.00 0.00 S ATOM 488 CE MET A 32 14.473 0.025 -7.401 1.00 0.00 C ATOM 0 H MET A 32 10.674 4.035 -5.493 1.00 0.00 H new ATOM 0 HA MET A 32 9.999 3.767 -8.386 1.00 0.00 H new ATOM 0 HB2 MET A 32 12.237 3.721 -8.483 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.312 3.850 -6.737 1.00 0.00 H new ATOM 0 HG2 MET A 32 12.160 1.402 -6.476 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.816 1.189 -8.181 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.530 -0.188 -7.560 1.00 0.00 H new ATOM 0 HE2 MET A 32 14.220 -0.152 -6.355 1.00 0.00 H new ATOM 0 HE3 MET A 32 13.872 -0.627 -8.035 1.00 0.00 H new ATOM 498 N LEU A 33 9.559 1.346 -6.274 1.00 0.00 N ATOM 499 CA LEU A 33 8.980 -0.045 -6.106 1.00 0.00 C ATOM 500 C LEU A 33 7.498 0.074 -6.518 1.00 0.00 C ATOM 501 O LEU A 33 6.873 -0.781 -7.088 1.00 0.00 O ATOM 502 CB LEU A 33 9.026 -0.444 -4.638 1.00 0.00 C ATOM 503 CG LEU A 33 10.181 -1.408 -4.340 1.00 0.00 C ATOM 504 CD1 LEU A 33 10.242 -1.586 -2.813 1.00 0.00 C ATOM 505 CD2 LEU A 33 9.941 -2.789 -4.947 1.00 0.00 C ATOM 0 H LEU A 33 9.768 1.826 -5.398 1.00 0.00 H new ATOM 0 HA LEU A 33 9.530 -0.780 -6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.132 0.450 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.082 -0.913 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 33 11.098 -0.996 -4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.054 -2.267 -2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.418 -0.619 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.298 -1.997 -2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.783 -3.441 -4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.026 -3.214 -4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.842 -2.699 -6.029 1.00 0.00 H new ATOM 517 N PHE A 34 6.989 1.237 -6.188 1.00 0.00 N ATOM 518 CA PHE A 34 5.553 1.482 -6.576 1.00 0.00 C ATOM 519 C PHE A 34 5.502 1.876 -8.056 1.00 0.00 C ATOM 520 O PHE A 34 4.535 1.689 -8.751 1.00 0.00 O ATOM 521 CB PHE A 34 4.883 2.492 -5.665 1.00 0.00 C ATOM 522 CG PHE A 34 4.688 1.816 -4.313 1.00 0.00 C ATOM 523 CD1 PHE A 34 4.130 0.543 -4.268 1.00 0.00 C ATOM 524 CD2 PHE A 34 5.085 2.505 -3.177 1.00 0.00 C ATOM 525 CE1 PHE A 34 3.966 -0.067 -3.031 1.00 0.00 C ATOM 526 CE2 PHE A 34 4.929 1.898 -1.927 1.00 0.00 C ATOM 527 CZ PHE A 34 4.375 0.627 -1.876 1.00 0.00 C ATOM 0 H PHE A 34 7.467 1.991 -5.696 1.00 0.00 H new ATOM 0 HA PHE A 34 4.978 0.565 -6.446 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.498 3.386 -5.563 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.926 2.809 -6.079 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.831 0.040 -5.175 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.508 3.495 -3.256 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.533 -1.054 -2.956 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.232 2.406 -1.023 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.253 0.152 -0.914 1.00 0.00 H new ATOM 537 N ASN A 35 6.613 2.436 -8.486 1.00 0.00 N ATOM 538 CA ASN A 35 6.779 2.888 -9.889 1.00 0.00 C ATOM 539 C ASN A 35 6.755 1.653 -10.818 1.00 0.00 C ATOM 540 O ASN A 35 6.120 1.743 -11.843 1.00 0.00 O ATOM 541 CB ASN A 35 8.084 3.618 -10.143 1.00 0.00 C ATOM 542 CG ASN A 35 8.440 3.518 -11.644 1.00 0.00 C ATOM 543 OD1 ASN A 35 9.285 2.726 -12.010 1.00 0.00 O ATOM 544 ND2 ASN A 35 7.801 4.308 -12.462 1.00 0.00 N ATOM 0 H ASN A 35 7.429 2.598 -7.896 1.00 0.00 H new ATOM 0 HA ASN A 35 5.962 3.582 -10.087 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.993 4.663 -9.848 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.881 3.184 -9.539 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.003 4.278 -13.461 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.100 4.955 -12.102 1.00 0.00 H new ATOM 551 N GLN A 36 7.417 0.593 -10.432 1.00 0.00 N ATOM 552 CA GLN A 36 7.485 -0.676 -11.180 1.00 0.00 C ATOM 553 C GLN A 36 6.186 -0.975 -11.975 1.00 0.00 C ATOM 554 O GLN A 36 6.226 -1.563 -13.030 1.00 0.00 O ATOM 555 CB GLN A 36 7.578 -1.813 -10.137 1.00 0.00 C ATOM 556 CG GLN A 36 9.015 -2.199 -9.870 1.00 0.00 C ATOM 557 CD GLN A 36 9.067 -3.597 -9.230 1.00 0.00 C ATOM 558 OE1 GLN A 36 9.906 -4.424 -9.528 1.00 0.00 O ATOM 559 NE2 GLN A 36 8.183 -3.914 -8.332 1.00 0.00 N ATOM 0 H GLN A 36 7.948 0.569 -9.561 1.00 0.00 H new ATOM 0 HA GLN A 36 8.329 -0.607 -11.867 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.106 -1.496 -9.207 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.026 -2.683 -10.494 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.582 -2.194 -10.801 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.481 -1.468 -9.209 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.467 -3.240 -8.062 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.206 -4.837 -7.898 1.00 0.00 H new ATOM 568 N PHE A 37 5.095 -0.539 -11.382 1.00 0.00 N ATOM 569 CA PHE A 37 3.690 -0.713 -11.909 1.00 0.00 C ATOM 570 C PHE A 37 3.150 0.437 -12.757 1.00 0.00 C ATOM 571 O PHE A 37 2.997 1.549 -12.262 1.00 0.00 O ATOM 572 CB PHE A 37 2.794 -1.044 -10.673 1.00 0.00 C ATOM 573 CG PHE A 37 3.267 -2.420 -10.212 1.00 0.00 C ATOM 574 CD1 PHE A 37 2.866 -3.559 -10.901 1.00 0.00 C ATOM 575 CD2 PHE A 37 4.111 -2.490 -9.095 1.00 0.00 C ATOM 576 CE1 PHE A 37 3.309 -4.812 -10.479 1.00 0.00 C ATOM 577 CE2 PHE A 37 4.546 -3.749 -8.689 1.00 0.00 C ATOM 578 CZ PHE A 37 4.146 -4.888 -9.374 1.00 0.00 C ATOM 0 H PHE A 37 5.124 -0.036 -10.495 1.00 0.00 H new ATOM 0 HA PHE A 37 3.686 -1.527 -12.634 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.914 -0.299 -9.886 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.738 -1.057 -10.941 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.215 -3.474 -11.758 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.414 -1.598 -8.567 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.006 -5.707 -11.002 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.200 -3.840 -7.834 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.493 -5.855 -9.040 1.00 0.00 H new ATOM 588 N PRO A 38 2.861 0.153 -14.008 1.00 0.00 N ATOM 589 CA PRO A 38 2.308 1.099 -15.023 1.00 0.00 C ATOM 590 C PRO A 38 0.972 1.669 -14.524 1.00 0.00 C ATOM 591 O PRO A 38 -0.104 1.285 -14.941 1.00 0.00 O ATOM 592 CB PRO A 38 2.004 0.306 -16.282 1.00 0.00 C ATOM 593 CG PRO A 38 1.893 -1.151 -15.785 1.00 0.00 C ATOM 594 CD PRO A 38 3.001 -1.135 -14.698 1.00 0.00 C ATOM 0 HA PRO A 38 3.024 1.901 -15.202 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.078 0.640 -16.751 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.795 0.416 -17.024 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.909 -1.381 -15.377 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.089 -1.879 -16.573 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.880 -1.966 -14.004 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.990 -1.234 -15.145 1.00 0.00 H new ATOM 602 N GLY A 39 1.089 2.600 -13.619 1.00 0.00 N ATOM 603 CA GLY A 39 -0.122 3.241 -13.047 1.00 0.00 C ATOM 604 C GLY A 39 0.271 4.078 -11.814 1.00 0.00 C ATOM 605 O GLY A 39 -0.371 5.072 -11.613 1.00 0.00 O ATOM 0 H GLY A 39 1.976 2.944 -13.251 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.597 3.876 -13.794 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.850 2.480 -12.766 1.00 0.00 H new ATOM 609 N PHE A 40 1.251 3.618 -11.124 1.00 0.00 N ATOM 610 CA PHE A 40 1.818 4.242 -9.898 1.00 0.00 C ATOM 611 C PHE A 40 1.273 5.626 -9.671 1.00 0.00 C ATOM 612 O PHE A 40 1.642 6.619 -10.238 1.00 0.00 O ATOM 613 CB PHE A 40 3.362 4.249 -9.974 1.00 0.00 C ATOM 614 CG PHE A 40 3.894 5.237 -10.963 1.00 0.00 C ATOM 615 CD1 PHE A 40 3.298 5.514 -12.196 1.00 0.00 C ATOM 616 CD2 PHE A 40 5.070 5.943 -10.633 1.00 0.00 C ATOM 617 CE1 PHE A 40 3.867 6.469 -13.056 1.00 0.00 C ATOM 618 CE2 PHE A 40 5.627 6.883 -11.489 1.00 0.00 C ATOM 619 CZ PHE A 40 5.031 7.175 -12.736 1.00 0.00 C ATOM 0 H PHE A 40 1.730 2.755 -11.379 1.00 0.00 H new ATOM 0 HA PHE A 40 1.514 3.642 -9.040 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.768 4.476 -8.988 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.712 3.252 -10.241 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.398 4.993 -12.489 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.551 5.746 -9.686 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.386 6.666 -14.003 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.530 7.399 -11.197 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.453 7.907 -13.409 1.00 0.00 H new ATOM 629 N LYS A 41 0.300 5.728 -8.794 1.00 0.00 N ATOM 630 CA LYS A 41 -0.296 7.069 -8.578 1.00 0.00 C ATOM 631 C LYS A 41 0.382 7.920 -7.524 1.00 0.00 C ATOM 632 O LYS A 41 1.005 8.907 -7.844 1.00 0.00 O ATOM 633 CB LYS A 41 -1.784 6.960 -8.178 1.00 0.00 C ATOM 634 CG LYS A 41 -2.652 7.976 -8.886 1.00 0.00 C ATOM 635 CD LYS A 41 -3.539 8.632 -7.816 1.00 0.00 C ATOM 636 CE LYS A 41 -4.938 8.899 -8.372 1.00 0.00 C ATOM 637 NZ LYS A 41 -5.796 7.728 -7.995 1.00 0.00 N ATOM 0 H LYS A 41 -0.090 4.965 -8.240 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.160 7.561 -9.541 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.145 5.957 -8.406 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.878 7.095 -7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.039 8.723 -9.390 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.262 7.496 -9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.606 7.983 -6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.088 9.567 -7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.346 9.823 -7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.905 9.019 -9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.760 7.873 -8.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.399 6.860 -8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.825 7.638 -6.959 1.00 0.00 H new ATOM 651 N GLU A 42 0.265 7.561 -6.287 1.00 0.00 N ATOM 652 CA GLU A 42 0.865 8.335 -5.199 1.00 0.00 C ATOM 653 C GLU A 42 1.475 7.352 -4.184 1.00 0.00 C ATOM 654 O GLU A 42 1.106 6.200 -4.106 1.00 0.00 O ATOM 655 CB GLU A 42 -0.132 9.286 -4.517 1.00 0.00 C ATOM 656 CG GLU A 42 0.591 10.108 -3.451 1.00 0.00 C ATOM 657 CD GLU A 42 -0.182 11.385 -3.174 1.00 0.00 C ATOM 658 OE1 GLU A 42 -1.011 11.782 -3.993 1.00 0.00 O ATOM 659 OE2 GLU A 42 0.045 11.985 -2.143 1.00 0.00 O ATOM 0 H GLU A 42 -0.242 6.730 -5.982 1.00 0.00 H new ATOM 0 HA GLU A 42 1.639 8.977 -5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.583 9.947 -5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.942 8.715 -4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.690 9.526 -2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.600 10.348 -3.786 1.00 0.00 H new ATOM 666 N VAL A 43 2.412 7.877 -3.440 1.00 0.00 N ATOM 667 CA VAL A 43 3.170 7.165 -2.414 1.00 0.00 C ATOM 668 C VAL A 43 3.635 8.203 -1.392 1.00 0.00 C ATOM 669 O VAL A 43 4.266 9.188 -1.665 1.00 0.00 O ATOM 670 CB VAL A 43 4.358 6.388 -2.997 1.00 0.00 C ATOM 671 CG1 VAL A 43 5.095 5.592 -1.897 1.00 0.00 C ATOM 672 CG2 VAL A 43 3.911 5.402 -4.078 1.00 0.00 C ATOM 0 H VAL A 43 2.689 8.855 -3.527 1.00 0.00 H new ATOM 0 HA VAL A 43 2.534 6.415 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 43 5.027 7.129 -3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.932 5.051 -2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.467 6.280 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.406 4.883 -1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.779 4.870 -4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.209 4.686 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.425 5.946 -4.888 1.00 0.00 H new ATOM 682 N ARG A 44 3.217 7.928 -0.213 1.00 0.00 N ATOM 683 CA ARG A 44 3.438 8.840 0.952 1.00 0.00 C ATOM 684 C ARG A 44 4.243 8.059 2.007 1.00 0.00 C ATOM 685 O ARG A 44 3.666 7.347 2.780 1.00 0.00 O ATOM 686 CB ARG A 44 2.131 9.362 1.523 1.00 0.00 C ATOM 687 CG ARG A 44 2.286 10.796 2.043 1.00 0.00 C ATOM 688 CD ARG A 44 1.369 11.047 3.235 1.00 0.00 C ATOM 689 NE ARG A 44 1.464 9.972 4.255 1.00 0.00 N ATOM 690 CZ ARG A 44 0.480 9.796 5.089 1.00 0.00 C ATOM 691 NH1 ARG A 44 -0.730 9.579 4.655 1.00 0.00 N ATOM 692 NH2 ARG A 44 0.680 9.832 6.385 1.00 0.00 N ATOM 0 H ARG A 44 2.707 7.075 0.019 1.00 0.00 H new ATOM 0 HA ARG A 44 3.992 9.722 0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.358 9.333 0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.800 8.712 2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.322 10.971 2.333 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.054 11.503 1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.625 12.003 3.693 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.339 11.125 2.888 1.00 0.00 H new ATOM 0 HE ARG A 44 2.292 9.378 4.302 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.914 9.546 3.652 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.493 9.443 5.318 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.617 10.000 6.752 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.101 9.692 7.026 1.00 0.00 H new ATOM 706 N LEU A 45 5.510 8.273 1.923 1.00 0.00 N ATOM 707 CA LEU A 45 6.515 7.716 2.875 1.00 0.00 C ATOM 708 C LEU A 45 7.664 8.697 2.953 1.00 0.00 C ATOM 709 O LEU A 45 8.585 8.543 2.155 1.00 0.00 O ATOM 710 CB LEU A 45 7.011 6.405 2.200 1.00 0.00 C ATOM 711 CG LEU A 45 7.833 5.531 3.136 1.00 0.00 C ATOM 712 CD1 LEU A 45 9.295 5.996 3.213 1.00 0.00 C ATOM 713 CD2 LEU A 45 7.201 5.526 4.544 1.00 0.00 C ATOM 0 H LEU A 45 5.925 8.847 1.189 1.00 0.00 H new ATOM 0 HA LEU A 45 6.118 7.541 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.151 5.838 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.611 6.657 1.326 1.00 0.00 H new ATOM 0 HG LEU A 45 7.831 4.518 2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.848 5.346 3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.744 5.951 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.332 7.021 3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.796 4.898 5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.174 6.543 4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.186 5.133 4.486 1.00 0.00 H new ATOM 725 N VAL A 46 7.668 9.672 3.843 1.00 0.00 N ATOM 726 CA VAL A 46 8.808 10.617 3.808 1.00 0.00 C ATOM 727 C VAL A 46 8.798 11.671 4.916 1.00 0.00 C ATOM 728 O VAL A 46 9.153 12.816 4.652 1.00 0.00 O ATOM 729 CB VAL A 46 8.678 11.382 2.451 1.00 0.00 C ATOM 730 CG1 VAL A 46 7.460 12.324 2.407 1.00 0.00 C ATOM 731 CG2 VAL A 46 9.915 12.243 2.180 1.00 0.00 C ATOM 0 H VAL A 46 6.959 9.840 4.557 1.00 0.00 H new ATOM 0 HA VAL A 46 9.724 10.041 3.936 1.00 0.00 H new ATOM 0 HB VAL A 46 8.564 10.603 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.423 12.827 1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.547 11.746 2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.546 13.067 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.795 12.763 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.033 12.973 2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.799 11.607 2.137 1.00 0.00 H new ATOM 741 N PRO A 47 8.437 11.368 6.115 1.00 0.00 N ATOM 742 CA PRO A 47 8.448 12.360 7.223 1.00 0.00 C ATOM 743 C PRO A 47 9.556 11.893 8.193 1.00 0.00 C ATOM 744 O PRO A 47 10.468 11.201 7.757 1.00 0.00 O ATOM 745 CB PRO A 47 7.072 12.060 7.799 1.00 0.00 C ATOM 746 CG PRO A 47 6.591 10.747 7.106 1.00 0.00 C ATOM 747 CD PRO A 47 7.971 10.139 6.721 1.00 0.00 C ATOM 0 HA PRO A 47 8.623 13.410 6.988 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.121 11.935 8.881 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.380 12.880 7.604 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.022 10.103 7.777 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.961 10.938 6.238 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.566 9.810 7.573 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.910 9.298 6.031 1.00 0.00 H new ATOM 755 N GLY A 48 9.504 12.224 9.454 1.00 0.00 N ATOM 756 CA GLY A 48 10.613 11.686 10.315 1.00 0.00 C ATOM 757 C GLY A 48 10.410 10.152 10.339 1.00 0.00 C ATOM 758 O GLY A 48 11.315 9.415 10.680 1.00 0.00 O ATOM 0 H GLY A 48 8.798 12.802 9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.589 11.946 9.906 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.567 12.104 11.321 1.00 0.00 H new ATOM 762 N ARG A 49 9.227 9.745 9.968 1.00 0.00 N ATOM 763 CA ARG A 49 8.802 8.338 9.895 1.00 0.00 C ATOM 764 C ARG A 49 9.568 7.507 8.865 1.00 0.00 C ATOM 765 O ARG A 49 10.549 6.916 9.263 1.00 0.00 O ATOM 766 CB ARG A 49 7.296 8.274 9.534 1.00 0.00 C ATOM 767 CG ARG A 49 6.514 8.910 10.671 1.00 0.00 C ATOM 768 CD ARG A 49 5.143 9.350 10.123 1.00 0.00 C ATOM 769 NE ARG A 49 4.999 10.830 10.208 1.00 0.00 N ATOM 770 CZ ARG A 49 4.238 11.411 11.109 1.00 0.00 C ATOM 771 NH1 ARG A 49 4.403 11.128 12.377 1.00 0.00 N ATOM 772 NH2 ARG A 49 3.334 12.267 10.706 1.00 0.00 N ATOM 0 H ARG A 49 8.490 10.395 9.694 1.00 0.00 H new ATOM 0 HA ARG A 49 9.010 7.913 10.877 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.105 8.801 8.599 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.983 7.240 9.387 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.387 8.201 11.489 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.056 9.766 11.073 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.038 9.027 9.087 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.346 8.868 10.690 1.00 0.00 H new ATOM 0 HE ARG A 49 5.509 11.413 9.544 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.119 10.460 12.661 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.815 11.576 13.080 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.232 12.471 9.712 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.732 12.731 11.386 1.00 0.00 H new ATOM 786 N HIS A 50 9.074 7.479 7.651 1.00 0.00 N ATOM 787 CA HIS A 50 9.705 6.596 6.572 1.00 0.00 C ATOM 788 C HIS A 50 9.326 5.146 7.002 1.00 0.00 C ATOM 789 O HIS A 50 9.909 4.171 6.604 1.00 0.00 O ATOM 790 CB HIS A 50 11.226 6.604 6.548 1.00 0.00 C ATOM 791 CG HIS A 50 11.827 7.980 6.427 1.00 0.00 C ATOM 792 ND1 HIS A 50 13.082 8.232 6.930 1.00 0.00 N ATOM 793 CD2 HIS A 50 11.335 9.118 5.869 1.00 0.00 C ATOM 794 CE1 HIS A 50 13.327 9.519 6.672 1.00 0.00 C ATOM 795 NE2 HIS A 50 12.300 10.095 6.027 1.00 0.00 N ATOM 0 H HIS A 50 8.266 8.020 7.344 1.00 0.00 H new ATOM 0 HA HIS A 50 9.358 6.946 5.600 1.00 0.00 H new ATOM 0 HB2 HIS A 50 11.597 6.135 7.460 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.570 5.993 5.713 1.00 0.00 H new ATOM 0 HD2 HIS A 50 10.373 9.236 5.393 1.00 0.00 H new ATOM 0 HE1 HIS A 50 14.237 10.032 6.947 1.00 0.00 H new ATOM 0 HE2 HIS A 50 12.243 11.064 5.715 1.00 0.00 H new ATOM 804 N ASP A 51 8.320 5.090 7.857 1.00 0.00 N ATOM 805 CA ASP A 51 7.813 3.824 8.445 1.00 0.00 C ATOM 806 C ASP A 51 6.311 3.683 8.273 1.00 0.00 C ATOM 807 O ASP A 51 5.762 2.669 8.604 1.00 0.00 O ATOM 808 CB ASP A 51 8.180 3.727 9.942 1.00 0.00 C ATOM 809 CG ASP A 51 7.012 4.214 10.787 1.00 0.00 C ATOM 810 OD1 ASP A 51 6.869 5.409 11.009 1.00 0.00 O ATOM 811 OD2 ASP A 51 6.211 3.399 11.245 1.00 0.00 O ATOM 0 H ASP A 51 7.816 5.917 8.177 1.00 0.00 H new ATOM 0 HA ASP A 51 8.294 3.008 7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.424 2.697 10.201 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.066 4.327 10.149 1.00 0.00 H new ATOM 816 N ILE A 52 5.621 4.672 7.733 1.00 0.00 N ATOM 817 CA ILE A 52 4.173 4.668 7.489 1.00 0.00 C ATOM 818 C ILE A 52 4.033 4.977 5.979 1.00 0.00 C ATOM 819 O ILE A 52 4.365 6.035 5.509 1.00 0.00 O ATOM 820 CB ILE A 52 3.365 5.629 8.327 1.00 0.00 C ATOM 821 CG1 ILE A 52 3.843 7.079 8.227 1.00 0.00 C ATOM 822 CG2 ILE A 52 3.425 5.139 9.792 1.00 0.00 C ATOM 823 CD1 ILE A 52 2.633 7.931 7.832 1.00 0.00 C ATOM 0 H ILE A 52 6.065 5.541 7.437 1.00 0.00 H new ATOM 0 HA ILE A 52 3.759 3.703 7.782 1.00 0.00 H new ATOM 0 HB ILE A 52 2.342 5.636 7.950 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.255 7.414 9.179 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.637 7.172 7.486 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.849 5.814 10.425 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.006 4.135 9.857 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.462 5.122 10.128 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.934 8.975 7.750 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.245 7.589 6.872 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.857 7.836 8.592 1.00 0.00 H new ATOM 835 N ALA A 53 3.555 3.981 5.248 1.00 0.00 N ATOM 836 CA ALA A 53 3.457 4.058 3.793 1.00 0.00 C ATOM 837 C ALA A 53 1.975 4.086 3.354 1.00 0.00 C ATOM 838 O ALA A 53 1.194 3.179 3.664 1.00 0.00 O ATOM 839 CB ALA A 53 4.069 2.790 3.169 1.00 0.00 C ATOM 0 H ALA A 53 3.225 3.100 5.642 1.00 0.00 H new ATOM 0 HA ALA A 53 3.977 4.960 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.996 2.847 2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.117 2.711 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.528 1.913 3.523 1.00 0.00 H new ATOM 845 N PHE A 54 1.695 5.149 2.671 1.00 0.00 N ATOM 846 CA PHE A 54 0.367 5.425 2.011 1.00 0.00 C ATOM 847 C PHE A 54 0.539 5.411 0.468 1.00 0.00 C ATOM 848 O PHE A 54 1.016 6.325 -0.158 1.00 0.00 O ATOM 849 CB PHE A 54 -0.062 6.836 2.366 1.00 0.00 C ATOM 850 CG PHE A 54 -1.524 7.138 2.039 1.00 0.00 C ATOM 851 CD1 PHE A 54 -2.520 6.176 2.106 1.00 0.00 C ATOM 852 CD2 PHE A 54 -1.872 8.453 1.651 1.00 0.00 C ATOM 853 CE1 PHE A 54 -3.853 6.512 1.795 1.00 0.00 C ATOM 854 CE2 PHE A 54 -3.195 8.777 1.342 1.00 0.00 C ATOM 855 CZ PHE A 54 -4.205 7.820 1.408 1.00 0.00 C ATOM 0 H PHE A 54 2.373 5.898 2.526 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.353 4.675 2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.103 6.999 3.431 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.573 7.544 1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.274 5.166 2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.107 9.214 1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.619 5.753 1.854 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.439 9.787 1.047 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.227 8.073 1.170 1.00 0.00 H new ATOM 865 N VAL A 55 0.137 4.265 -0.091 1.00 0.00 N ATOM 866 CA VAL A 55 0.283 3.939 -1.510 1.00 0.00 C ATOM 867 C VAL A 55 -1.029 3.873 -2.301 1.00 0.00 C ATOM 868 O VAL A 55 -1.869 3.001 -2.265 1.00 0.00 O ATOM 869 CB VAL A 55 0.898 2.512 -1.597 1.00 0.00 C ATOM 870 CG1 VAL A 55 0.982 2.032 -3.025 1.00 0.00 C ATOM 871 CG2 VAL A 55 2.270 2.571 -0.919 1.00 0.00 C ATOM 0 H VAL A 55 -0.310 3.521 0.445 1.00 0.00 H new ATOM 0 HA VAL A 55 0.889 4.736 -1.940 1.00 0.00 H new ATOM 0 HB VAL A 55 0.264 1.786 -1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.416 1.032 -3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.018 2.003 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.608 2.713 -3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.738 1.587 -0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.901 3.293 -1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.149 2.874 0.121 1.00 0.00 H new ATOM 881 N GLU A 56 -1.139 4.891 -3.094 1.00 0.00 N ATOM 882 CA GLU A 56 -2.252 5.177 -4.045 1.00 0.00 C ATOM 883 C GLU A 56 -1.881 4.666 -5.457 1.00 0.00 C ATOM 884 O GLU A 56 -1.113 5.202 -6.195 1.00 0.00 O ATOM 885 CB GLU A 56 -2.445 6.686 -4.175 1.00 0.00 C ATOM 886 CG GLU A 56 -3.939 7.032 -4.119 1.00 0.00 C ATOM 887 CD GLU A 56 -4.117 8.531 -4.398 1.00 0.00 C ATOM 888 OE1 GLU A 56 -3.165 9.125 -4.902 1.00 0.00 O ATOM 889 OE2 GLU A 56 -5.176 9.054 -4.105 1.00 0.00 O ATOM 0 H GLU A 56 -0.422 5.616 -3.123 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.151 4.689 -3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.914 7.199 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.017 7.036 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.489 6.445 -4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.347 6.780 -3.140 1.00 0.00 H new ATOM 896 N PHE A 57 -2.446 3.522 -5.765 1.00 0.00 N ATOM 897 CA PHE A 57 -2.197 2.749 -6.994 1.00 0.00 C ATOM 898 C PHE A 57 -3.320 2.915 -8.043 1.00 0.00 C ATOM 899 O PHE A 57 -4.355 2.341 -7.864 1.00 0.00 O ATOM 900 CB PHE A 57 -2.134 1.231 -6.717 1.00 0.00 C ATOM 901 CG PHE A 57 -0.664 0.815 -6.817 1.00 0.00 C ATOM 902 CD1 PHE A 57 -0.094 0.939 -8.093 1.00 0.00 C ATOM 903 CD2 PHE A 57 0.059 0.353 -5.733 1.00 0.00 C ATOM 904 CE1 PHE A 57 1.239 0.582 -8.267 1.00 0.00 C ATOM 905 CE2 PHE A 57 1.398 -0.007 -5.907 1.00 0.00 C ATOM 906 CZ PHE A 57 1.971 0.114 -7.181 1.00 0.00 C ATOM 0 H PHE A 57 -3.124 3.072 -5.150 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.249 3.138 -7.366 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.532 1.003 -5.728 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.739 0.682 -7.439 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.679 1.305 -8.924 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.406 0.271 -4.762 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.702 0.668 -9.239 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.981 -0.372 -5.075 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.005 -0.163 -7.322 1.00 0.00 H new ATOM 916 N ASP A 58 -2.998 3.708 -8.999 1.00 0.00 N ATOM 917 CA ASP A 58 -3.911 4.076 -10.134 1.00 0.00 C ATOM 918 C ASP A 58 -5.022 3.065 -10.323 1.00 0.00 C ATOM 919 O ASP A 58 -6.181 3.398 -10.494 1.00 0.00 O ATOM 920 CB ASP A 58 -3.114 4.267 -11.437 1.00 0.00 C ATOM 921 CG ASP A 58 -4.041 3.990 -12.629 1.00 0.00 C ATOM 922 OD1 ASP A 58 -5.085 4.607 -12.651 1.00 0.00 O ATOM 923 OD2 ASP A 58 -3.673 3.188 -13.459 1.00 0.00 O ATOM 0 H ASP A 58 -2.083 4.154 -9.059 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.382 5.024 -9.874 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.720 5.282 -11.493 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.259 3.591 -11.459 1.00 0.00 H new ATOM 928 N ASN A 59 -4.659 1.810 -10.281 1.00 0.00 N ATOM 929 CA ASN A 59 -5.705 0.768 -10.442 1.00 0.00 C ATOM 930 C ASN A 59 -5.365 -0.466 -9.577 1.00 0.00 C ATOM 931 O ASN A 59 -4.245 -0.862 -9.507 1.00 0.00 O ATOM 932 CB ASN A 59 -5.786 0.425 -11.922 1.00 0.00 C ATOM 933 CG ASN A 59 -6.037 -1.053 -12.137 1.00 0.00 C ATOM 934 OD1 ASN A 59 -5.166 -1.859 -11.944 1.00 0.00 O ATOM 935 ND2 ASN A 59 -7.231 -1.426 -12.542 1.00 0.00 N ATOM 0 H ASN A 59 -3.707 1.470 -10.145 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.676 1.128 -10.103 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.585 1.002 -12.387 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.857 0.713 -12.414 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.431 -2.414 -12.698 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.957 -0.727 -12.700 1.00 0.00 H new ATOM 942 N GLU A 60 -6.347 -1.025 -8.960 1.00 0.00 N ATOM 943 CA GLU A 60 -6.248 -2.236 -8.074 1.00 0.00 C ATOM 944 C GLU A 60 -5.563 -3.449 -8.713 1.00 0.00 C ATOM 945 O GLU A 60 -5.091 -4.352 -8.090 1.00 0.00 O ATOM 946 CB GLU A 60 -7.621 -2.593 -7.479 1.00 0.00 C ATOM 947 CG GLU A 60 -8.591 -2.963 -8.592 1.00 0.00 C ATOM 948 CD GLU A 60 -8.993 -4.451 -8.465 1.00 0.00 C ATOM 949 OE1 GLU A 60 -8.131 -5.302 -8.483 1.00 0.00 O ATOM 950 OE2 GLU A 60 -10.195 -4.659 -8.354 1.00 0.00 O ATOM 0 H GLU A 60 -7.301 -0.671 -9.032 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.578 -1.950 -7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.519 -3.425 -6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.011 -1.748 -6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.478 -2.332 -8.538 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.130 -2.783 -9.563 1.00 0.00 H new ATOM 957 N VAL A 61 -5.475 -3.527 -10.028 1.00 0.00 N ATOM 958 CA VAL A 61 -4.751 -4.710 -10.623 1.00 0.00 C ATOM 959 C VAL A 61 -3.244 -4.368 -10.428 1.00 0.00 C ATOM 960 O VAL A 61 -2.407 -5.201 -10.180 1.00 0.00 O ATOM 961 CB VAL A 61 -5.065 -4.924 -12.090 1.00 0.00 C ATOM 962 CG1 VAL A 61 -4.142 -5.967 -12.745 1.00 0.00 C ATOM 963 CG2 VAL A 61 -6.527 -5.391 -12.226 1.00 0.00 C ATOM 0 H VAL A 61 -5.856 -2.853 -10.692 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.053 -5.639 -10.140 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.905 -3.976 -12.603 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.410 -6.082 -13.795 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.106 -5.635 -12.669 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.255 -6.924 -12.235 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.762 -5.548 -13.279 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.663 -6.325 -11.681 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.191 -4.631 -11.815 1.00 0.00 H new ATOM 973 N GLN A 62 -2.989 -3.080 -10.553 1.00 0.00 N ATOM 974 CA GLN A 62 -1.600 -2.579 -10.357 1.00 0.00 C ATOM 975 C GLN A 62 -1.331 -2.461 -8.843 1.00 0.00 C ATOM 976 O GLN A 62 -0.217 -2.645 -8.370 1.00 0.00 O ATOM 977 CB GLN A 62 -1.284 -1.223 -10.984 1.00 0.00 C ATOM 978 CG GLN A 62 -2.017 -0.975 -12.310 1.00 0.00 C ATOM 979 CD GLN A 62 -2.268 0.526 -12.498 1.00 0.00 C ATOM 980 OE1 GLN A 62 -2.316 1.252 -11.527 1.00 0.00 O ATOM 981 NE2 GLN A 62 -2.426 0.984 -13.712 1.00 0.00 N ATOM 0 H GLN A 62 -3.682 -2.367 -10.780 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.964 -3.304 -10.864 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.549 -0.435 -10.279 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.210 -1.151 -11.153 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.424 -1.360 -13.140 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.964 -1.514 -12.318 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.380 0.347 -14.507 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.595 1.978 -13.864 1.00 0.00 H new ATOM 990 N ALA A 63 -2.331 -2.162 -8.064 1.00 0.00 N ATOM 991 CA ALA A 63 -2.158 -2.016 -6.583 1.00 0.00 C ATOM 992 C ALA A 63 -1.955 -3.469 -6.125 1.00 0.00 C ATOM 993 O ALA A 63 -1.050 -3.722 -5.380 1.00 0.00 O ATOM 994 CB ALA A 63 -3.364 -1.353 -5.922 1.00 0.00 C ATOM 0 H ALA A 63 -3.284 -2.008 -8.394 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.329 -1.364 -6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.191 -1.270 -4.849 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.510 -0.359 -6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.254 -1.957 -6.100 1.00 0.00 H new ATOM 1000 N GLY A 64 -2.818 -4.293 -6.635 1.00 0.00 N ATOM 1001 CA GLY A 64 -2.843 -5.765 -6.369 1.00 0.00 C ATOM 1002 C GLY A 64 -1.560 -6.350 -6.915 1.00 0.00 C ATOM 1003 O GLY A 64 -1.032 -7.309 -6.378 1.00 0.00 O ATOM 0 H GLY A 64 -3.558 -3.989 -7.268 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.928 -5.960 -5.300 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.708 -6.226 -6.847 1.00 0.00 H new ATOM 1007 N ALA A 65 -1.018 -5.832 -7.968 1.00 0.00 N ATOM 1008 CA ALA A 65 0.248 -6.373 -8.537 1.00 0.00 C ATOM 1009 C ALA A 65 1.349 -5.996 -7.568 1.00 0.00 C ATOM 1010 O ALA A 65 2.028 -6.856 -7.028 1.00 0.00 O ATOM 1011 CB ALA A 65 0.582 -5.766 -9.900 1.00 0.00 C ATOM 0 H ALA A 65 -1.404 -5.036 -8.476 1.00 0.00 H new ATOM 0 HA ALA A 65 0.146 -7.449 -8.676 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.514 -6.194 -10.270 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.222 -5.984 -10.603 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.693 -4.686 -9.800 1.00 0.00 H new ATOM 1017 N ALA A 66 1.592 -4.736 -7.286 1.00 0.00 N ATOM 1018 CA ALA A 66 2.660 -4.284 -6.337 1.00 0.00 C ATOM 1019 C ALA A 66 2.451 -4.906 -4.987 1.00 0.00 C ATOM 1020 O ALA A 66 3.329 -5.370 -4.287 1.00 0.00 O ATOM 1021 CB ALA A 66 2.540 -2.763 -6.184 1.00 0.00 C ATOM 0 H ALA A 66 1.065 -3.966 -7.698 1.00 0.00 H new ATOM 0 HA ALA A 66 3.638 -4.574 -6.722 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.307 -2.405 -5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.673 -2.288 -7.156 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.555 -2.514 -5.790 1.00 0.00 H new ATOM 1027 N ARG A 67 1.228 -4.937 -4.580 1.00 0.00 N ATOM 1028 CA ARG A 67 0.864 -5.538 -3.264 1.00 0.00 C ATOM 1029 C ARG A 67 1.154 -7.043 -3.345 1.00 0.00 C ATOM 1030 O ARG A 67 1.811 -7.584 -2.504 1.00 0.00 O ATOM 1031 CB ARG A 67 -0.585 -5.268 -2.890 1.00 0.00 C ATOM 1032 CG ARG A 67 -0.719 -5.229 -1.346 1.00 0.00 C ATOM 1033 CD ARG A 67 0.320 -4.263 -0.722 1.00 0.00 C ATOM 1034 NE ARG A 67 0.701 -3.192 -1.709 1.00 0.00 N ATOM 1035 CZ ARG A 67 1.790 -2.470 -1.538 1.00 0.00 C ATOM 1036 NH1 ARG A 67 2.955 -2.982 -1.823 1.00 0.00 N ATOM 1037 NH2 ARG A 67 1.656 -1.261 -1.091 1.00 0.00 N ATOM 0 H ARG A 67 0.439 -4.565 -5.109 1.00 0.00 H new ATOM 0 HA ARG A 67 1.460 -5.080 -2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.912 -4.321 -3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.229 -6.044 -3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.725 -4.912 -1.073 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.579 -6.231 -0.940 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.093 -3.807 0.178 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.207 -4.819 -0.419 1.00 0.00 H new ATOM 0 HE ARG A 67 0.108 -3.023 -2.521 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.020 -3.937 -2.176 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.801 -2.428 -1.693 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.727 -0.894 -0.883 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.479 -0.676 -0.948 1.00 0.00 H new ATOM 1051 N ASP A 68 0.692 -7.735 -4.339 1.00 0.00 N ATOM 1052 CA ASP A 68 0.913 -9.194 -4.528 1.00 0.00 C ATOM 1053 C ASP A 68 2.413 -9.539 -4.641 1.00 0.00 C ATOM 1054 O ASP A 68 2.902 -10.588 -4.318 1.00 0.00 O ATOM 1055 CB ASP A 68 0.209 -9.756 -5.791 1.00 0.00 C ATOM 1056 CG ASP A 68 0.469 -11.260 -5.956 1.00 0.00 C ATOM 1057 OD1 ASP A 68 0.317 -12.009 -4.993 1.00 0.00 O ATOM 1058 OD2 ASP A 68 0.818 -11.620 -7.065 1.00 0.00 O ATOM 0 H ASP A 68 0.130 -7.318 -5.081 1.00 0.00 H new ATOM 0 HA ASP A 68 0.481 -9.655 -3.640 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.864 -9.576 -5.721 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.564 -9.225 -6.674 1.00 0.00 H new ATOM 1063 N ALA A 69 3.161 -8.583 -5.132 1.00 0.00 N ATOM 1064 CA ALA A 69 4.612 -8.827 -5.273 1.00 0.00 C ATOM 1065 C ALA A 69 5.261 -8.636 -3.888 1.00 0.00 C ATOM 1066 O ALA A 69 6.146 -9.366 -3.497 1.00 0.00 O ATOM 1067 CB ALA A 69 5.216 -7.863 -6.304 1.00 0.00 C ATOM 0 H ALA A 69 2.831 -7.666 -5.433 1.00 0.00 H new ATOM 0 HA ALA A 69 4.797 -9.840 -5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.285 -8.054 -6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.734 -8.015 -7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.058 -6.835 -5.977 1.00 0.00 H new ATOM 1073 N LEU A 70 4.781 -7.640 -3.184 1.00 0.00 N ATOM 1074 CA LEU A 70 5.387 -7.421 -1.818 1.00 0.00 C ATOM 1075 C LEU A 70 4.203 -7.091 -0.874 1.00 0.00 C ATOM 1076 O LEU A 70 4.030 -5.998 -0.392 1.00 0.00 O ATOM 1077 CB LEU A 70 6.437 -6.308 -1.811 1.00 0.00 C ATOM 1078 CG LEU A 70 5.875 -4.968 -2.303 1.00 0.00 C ATOM 1079 CD1 LEU A 70 6.197 -3.819 -1.324 1.00 0.00 C ATOM 1080 CD2 LEU A 70 6.381 -4.660 -3.708 1.00 0.00 C ATOM 0 H LEU A 70 4.040 -6.999 -3.466 1.00 0.00 H new ATOM 0 HA LEU A 70 5.924 -8.312 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.826 -6.186 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.276 -6.600 -2.442 1.00 0.00 H new ATOM 0 HG LEU A 70 4.789 -5.055 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.782 -2.887 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.759 -4.037 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.278 -3.720 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.972 -3.706 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.470 -4.605 -3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.063 -5.449 -4.390 1.00 0.00 H new ATOM 1092 N GLN A 71 3.381 -8.085 -0.625 1.00 0.00 N ATOM 1093 CA GLN A 71 2.177 -7.917 0.267 1.00 0.00 C ATOM 1094 C GLN A 71 2.652 -8.066 1.718 1.00 0.00 C ATOM 1095 O GLN A 71 1.934 -7.858 2.677 1.00 0.00 O ATOM 1096 CB GLN A 71 1.128 -8.983 0.016 1.00 0.00 C ATOM 1097 CG GLN A 71 -0.081 -8.671 0.910 1.00 0.00 C ATOM 1098 CD GLN A 71 -0.226 -9.810 1.901 1.00 0.00 C ATOM 1099 OE1 GLN A 71 -0.324 -9.587 3.100 1.00 0.00 O ATOM 1100 NE2 GLN A 71 -0.245 -11.036 1.451 1.00 0.00 N ATOM 0 H GLN A 71 3.493 -9.024 -1.008 1.00 0.00 H new ATOM 0 HA GLN A 71 1.732 -6.943 0.065 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.835 -8.991 -1.034 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.526 -9.972 0.243 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.063 -7.725 1.432 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.985 -8.569 0.309 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.163 -11.213 0.450 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.342 -11.816 2.101 1.00 0.00 H new ATOM 1109 N GLY A 72 3.888 -8.433 1.854 1.00 0.00 N ATOM 1110 CA GLY A 72 4.453 -8.607 3.212 1.00 0.00 C ATOM 1111 C GLY A 72 5.980 -8.755 3.038 1.00 0.00 C ATOM 1112 O GLY A 72 6.521 -9.769 3.396 1.00 0.00 O ATOM 0 H GLY A 72 4.531 -8.620 1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.216 -7.750 3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.031 -9.487 3.698 1.00 0.00 H new ATOM 1116 N PHE A 73 6.550 -7.728 2.499 1.00 0.00 N ATOM 1117 CA PHE A 73 8.021 -7.659 2.237 1.00 0.00 C ATOM 1118 C PHE A 73 8.713 -8.048 3.560 1.00 0.00 C ATOM 1119 O PHE A 73 8.887 -7.225 4.418 1.00 0.00 O ATOM 1120 CB PHE A 73 8.456 -6.302 1.727 1.00 0.00 C ATOM 1121 CG PHE A 73 9.966 -6.125 1.832 1.00 0.00 C ATOM 1122 CD1 PHE A 73 10.805 -7.205 1.599 1.00 0.00 C ATOM 1123 CD2 PHE A 73 10.536 -4.875 2.164 1.00 0.00 C ATOM 1124 CE1 PHE A 73 12.189 -7.088 1.686 1.00 0.00 C ATOM 1125 CE2 PHE A 73 11.917 -4.744 2.252 1.00 0.00 C ATOM 1126 CZ PHE A 73 12.744 -5.840 2.015 1.00 0.00 C ATOM 0 H PHE A 73 6.041 -6.891 2.213 1.00 0.00 H new ATOM 0 HA PHE A 73 8.305 -8.345 1.439 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.146 -6.186 0.688 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.956 -5.520 2.298 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.373 -8.161 1.343 1.00 0.00 H new ATOM 0 HD2 PHE A 73 9.899 -4.023 2.349 1.00 0.00 H new ATOM 0 HE1 PHE A 73 12.825 -7.942 1.504 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.351 -3.788 2.505 1.00 0.00 H new ATOM 0 HZ PHE A 73 13.816 -5.730 2.084 1.00 0.00 H new ATOM 1136 N LYS A 74 9.060 -9.303 3.622 1.00 0.00 N ATOM 1137 CA LYS A 74 9.738 -9.858 4.813 1.00 0.00 C ATOM 1138 C LYS A 74 11.053 -9.079 5.042 1.00 0.00 C ATOM 1139 O LYS A 74 12.107 -9.459 4.592 1.00 0.00 O ATOM 1140 CB LYS A 74 10.075 -11.338 4.680 1.00 0.00 C ATOM 1141 CG LYS A 74 10.551 -11.591 3.234 1.00 0.00 C ATOM 1142 CD LYS A 74 11.589 -12.704 3.202 1.00 0.00 C ATOM 1143 CE LYS A 74 10.937 -13.980 2.660 1.00 0.00 C ATOM 1144 NZ LYS A 74 12.010 -14.762 1.966 1.00 0.00 N ATOM 0 H LYS A 74 8.895 -9.979 2.876 1.00 0.00 H new ATOM 0 HA LYS A 74 9.048 -9.755 5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.852 -11.617 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.201 -11.949 4.906 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.701 -11.860 2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.976 -10.677 2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.431 -12.415 2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.984 -12.879 4.203 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.499 -14.563 3.470 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.130 -13.737 1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.606 -15.640 1.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.406 -14.195 1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.763 -14.995 2.644 1.00 0.00 H new ATOM 1158 N ILE A 75 10.909 -7.993 5.755 1.00 0.00 N ATOM 1159 CA ILE A 75 12.097 -7.157 6.045 1.00 0.00 C ATOM 1160 C ILE A 75 13.078 -8.027 6.843 1.00 0.00 C ATOM 1161 O ILE A 75 14.272 -7.839 6.799 1.00 0.00 O ATOM 1162 CB ILE A 75 11.599 -5.965 6.896 1.00 0.00 C ATOM 1163 CG1 ILE A 75 10.420 -5.353 6.150 1.00 0.00 C ATOM 1164 CG2 ILE A 75 12.771 -5.001 7.037 1.00 0.00 C ATOM 1165 CD1 ILE A 75 10.157 -3.900 6.546 1.00 0.00 C ATOM 0 H ILE A 75 10.028 -7.656 6.143 1.00 0.00 H new ATOM 0 HA ILE A 75 12.594 -6.787 5.148 1.00 0.00 H new ATOM 0 HB ILE A 75 11.264 -6.243 7.895 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.609 -5.404 5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.526 -5.945 6.345 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.465 -4.141 7.633 1.00 0.00 H new ATOM 0 HG22 ILE A 75 13.601 -5.507 7.530 1.00 0.00 H new ATOM 0 HG23 ILE A 75 13.086 -4.665 6.049 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.306 -3.518 5.982 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.939 -3.847 7.613 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.038 -3.298 6.326 1.00 0.00 H new ATOM 1177 N THR A 76 12.518 -8.979 7.567 1.00 0.00 N ATOM 1178 CA THR A 76 13.328 -9.916 8.400 1.00 0.00 C ATOM 1179 C THR A 76 12.940 -11.392 8.145 1.00 0.00 C ATOM 1180 O THR A 76 13.819 -12.209 8.113 1.00 0.00 O ATOM 1181 CB THR A 76 13.108 -9.675 9.905 1.00 0.00 C ATOM 1182 OG1 THR A 76 13.404 -8.337 10.269 1.00 0.00 O ATOM 1183 CG2 THR A 76 14.044 -10.630 10.662 1.00 0.00 C ATOM 0 H THR A 76 11.512 -9.142 7.610 1.00 0.00 H new ATOM 0 HA THR A 76 14.364 -9.728 8.118 1.00 0.00 H new ATOM 0 HB THR A 76 12.062 -9.855 10.153 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.132 -8.183 11.198 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.917 -10.489 11.735 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.802 -11.660 10.400 1.00 0.00 H new ATOM 0 HG23 THR A 76 15.078 -10.419 10.388 1.00 0.00 H new ATOM 1191 N GLN A 77 11.678 -11.585 7.995 1.00 0.00 N ATOM 1192 CA GLN A 77 11.044 -12.920 7.748 1.00 0.00 C ATOM 1193 C GLN A 77 9.821 -12.978 8.695 1.00 0.00 C ATOM 1194 O GLN A 77 8.754 -13.405 8.301 1.00 0.00 O ATOM 1195 CB GLN A 77 11.998 -14.072 7.965 1.00 0.00 C ATOM 1196 CG GLN A 77 11.294 -15.435 7.958 1.00 0.00 C ATOM 1197 CD GLN A 77 11.085 -15.834 6.509 1.00 0.00 C ATOM 1198 OE1 GLN A 77 11.596 -15.211 5.604 1.00 0.00 O ATOM 1199 NE2 GLN A 77 10.343 -16.864 6.256 1.00 0.00 N ATOM 0 H GLN A 77 11.000 -10.824 8.034 1.00 0.00 H new ATOM 0 HA GLN A 77 10.745 -13.023 6.705 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.761 -14.058 7.186 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.512 -13.938 8.917 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.896 -16.180 8.478 1.00 0.00 H new ATOM 0 HG3 GLN A 77 10.339 -15.376 8.481 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.915 -17.385 7.022 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.186 -17.155 5.291 1.00 0.00 H new ATOM 1208 N ASN A 78 10.053 -12.533 9.887 1.00 0.00 N ATOM 1209 CA ASN A 78 9.002 -12.477 10.967 1.00 0.00 C ATOM 1210 C ASN A 78 8.436 -11.037 10.906 1.00 0.00 C ATOM 1211 O ASN A 78 7.306 -10.764 11.219 1.00 0.00 O ATOM 1212 CB ASN A 78 9.584 -12.752 12.339 1.00 0.00 C ATOM 1213 CG ASN A 78 10.186 -11.468 12.906 1.00 0.00 C ATOM 1214 OD1 ASN A 78 9.504 -10.799 13.648 1.00 0.00 O ATOM 1215 ND2 ASN A 78 11.393 -11.097 12.609 1.00 0.00 N ATOM 0 H ASN A 78 10.965 -12.187 10.185 1.00 0.00 H new ATOM 0 HA ASN A 78 8.237 -13.237 10.807 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.808 -13.127 13.006 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.349 -13.526 12.272 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.773 -10.236 13.002 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.962 -11.666 11.983 1.00 0.00 H new ATOM 1222 N ASN A 79 9.307 -10.162 10.479 1.00 0.00 N ATOM 1223 CA ASN A 79 9.000 -8.702 10.317 1.00 0.00 C ATOM 1224 C ASN A 79 8.802 -8.473 8.801 1.00 0.00 C ATOM 1225 O ASN A 79 9.716 -8.429 8.006 1.00 0.00 O ATOM 1226 CB ASN A 79 10.152 -7.823 10.775 1.00 0.00 C ATOM 1227 CG ASN A 79 10.125 -7.670 12.287 1.00 0.00 C ATOM 1228 OD1 ASN A 79 10.978 -8.111 13.017 1.00 0.00 O ATOM 1229 ND2 ASN A 79 9.123 -7.024 12.817 1.00 0.00 N ATOM 0 H ASN A 79 10.263 -10.408 10.224 1.00 0.00 H new ATOM 0 HA ASN A 79 8.126 -8.444 10.915 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.100 -8.261 10.463 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.083 -6.844 10.302 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.073 -6.901 13.828 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.390 -6.642 12.220 1.00 0.00 H new ATOM 1236 N ALA A 80 7.572 -8.333 8.428 1.00 0.00 N ATOM 1237 CA ALA A 80 7.202 -8.109 6.998 1.00 0.00 C ATOM 1238 C ALA A 80 6.518 -6.724 6.948 1.00 0.00 C ATOM 1239 O ALA A 80 5.817 -6.428 7.898 1.00 0.00 O ATOM 1240 CB ALA A 80 6.174 -9.135 6.543 1.00 0.00 C ATOM 0 H ALA A 80 6.778 -8.364 9.067 1.00 0.00 H new ATOM 0 HA ALA A 80 8.085 -8.182 6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.918 -8.955 5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.590 -10.137 6.647 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.277 -9.049 7.157 1.00 0.00 H new ATOM 1246 N MET A 81 6.731 -5.970 5.916 1.00 0.00 N ATOM 1247 CA MET A 81 6.053 -4.632 5.911 1.00 0.00 C ATOM 1248 C MET A 81 4.553 -4.805 6.046 1.00 0.00 C ATOM 1249 O MET A 81 4.056 -5.861 5.728 1.00 0.00 O ATOM 1250 CB MET A 81 6.470 -3.945 4.602 1.00 0.00 C ATOM 1251 CG MET A 81 5.279 -3.321 3.878 1.00 0.00 C ATOM 1252 SD MET A 81 5.961 -1.965 2.863 1.00 0.00 S ATOM 1253 CE MET A 81 6.961 -2.971 1.738 1.00 0.00 C ATOM 0 H MET A 81 7.312 -6.195 5.109 1.00 0.00 H new ATOM 0 HA MET A 81 6.349 -4.010 6.756 1.00 0.00 H new ATOM 0 HB2 MET A 81 7.208 -3.173 4.817 1.00 0.00 H new ATOM 0 HB3 MET A 81 6.951 -4.672 3.948 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.772 -4.058 3.255 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.544 -2.944 4.589 1.00 0.00 H new ATOM 0 HE1 MET A 81 7.059 -2.459 0.781 1.00 0.00 H new ATOM 0 HE2 MET A 81 7.950 -3.125 2.169 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.477 -3.936 1.585 1.00 0.00 H new ATOM 1263 N LYS A 82 3.772 -3.830 6.488 1.00 0.00 N ATOM 1264 CA LYS A 82 2.308 -3.969 6.611 1.00 0.00 C ATOM 1265 C LYS A 82 1.674 -2.749 5.869 1.00 0.00 C ATOM 1266 O LYS A 82 1.955 -1.651 6.287 1.00 0.00 O ATOM 1267 CB LYS A 82 1.860 -4.108 8.067 1.00 0.00 C ATOM 1268 CG LYS A 82 2.202 -5.540 8.555 1.00 0.00 C ATOM 1269 CD LYS A 82 0.925 -6.357 8.474 1.00 0.00 C ATOM 1270 CE LYS A 82 -0.071 -5.920 9.564 1.00 0.00 C ATOM 1271 NZ LYS A 82 0.021 -6.861 10.706 1.00 0.00 N ATOM 0 H LYS A 82 4.124 -2.917 6.774 1.00 0.00 H new ATOM 0 HA LYS A 82 1.962 -4.893 6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.361 -3.366 8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.789 -3.925 8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.982 -5.982 7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.581 -5.518 9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.472 -6.236 7.490 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.157 -7.416 8.590 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.152 -4.905 9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.085 -5.910 9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.649 -6.573 11.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.211 -7.822 10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.988 -6.849 11.089 1.00 0.00 H new ATOM 1285 N ILE A 83 0.978 -3.133 4.840 1.00 0.00 N ATOM 1286 CA ILE A 83 0.307 -2.267 3.825 1.00 0.00 C ATOM 1287 C ILE A 83 -1.116 -2.827 3.697 1.00 0.00 C ATOM 1288 O ILE A 83 -1.346 -3.914 3.220 1.00 0.00 O ATOM 1289 CB ILE A 83 1.005 -2.420 2.442 1.00 0.00 C ATOM 1290 CG1 ILE A 83 2.479 -1.988 2.608 1.00 0.00 C ATOM 1291 CG2 ILE A 83 0.345 -1.448 1.487 1.00 0.00 C ATOM 1292 CD1 ILE A 83 3.217 -2.537 1.375 1.00 0.00 C ATOM 0 H ILE A 83 0.834 -4.124 4.644 1.00 0.00 H new ATOM 0 HA ILE A 83 0.337 -1.218 4.119 1.00 0.00 H new ATOM 0 HB ILE A 83 0.935 -3.444 2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.565 -0.903 2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.903 -2.389 3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.811 -1.529 0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.716 -1.682 1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.464 -0.432 1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.271 -2.265 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.124 -3.623 1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.780 -2.113 0.471 1.00 0.00 H new ATOM 1304 N SER A 84 -2.067 -2.060 4.186 1.00 0.00 N ATOM 1305 CA SER A 84 -3.490 -2.442 4.253 1.00 0.00 C ATOM 1306 C SER A 84 -4.312 -1.605 3.243 1.00 0.00 C ATOM 1307 O SER A 84 -4.518 -0.469 3.510 1.00 0.00 O ATOM 1308 CB SER A 84 -4.161 -2.242 5.598 1.00 0.00 C ATOM 1309 OG SER A 84 -3.686 -3.148 6.596 1.00 0.00 O ATOM 0 H SER A 84 -1.884 -1.129 4.560 1.00 0.00 H new ATOM 0 HA SER A 84 -3.480 -3.510 4.036 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.993 -1.219 5.934 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.238 -2.367 5.484 1.00 0.00 H new ATOM 0 HG SER A 84 -4.235 -3.063 7.403 1.00 0.00 H new ATOM 1315 N PHE A 85 -4.674 -2.224 2.192 1.00 0.00 N ATOM 1316 CA PHE A 85 -5.560 -1.611 1.145 1.00 0.00 C ATOM 1317 C PHE A 85 -6.660 -0.867 1.861 1.00 0.00 C ATOM 1318 O PHE A 85 -7.013 -1.174 2.994 1.00 0.00 O ATOM 1319 CB PHE A 85 -6.255 -2.746 0.355 1.00 0.00 C ATOM 1320 CG PHE A 85 -6.402 -3.959 1.255 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -7.404 -3.967 2.218 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -5.533 -5.065 1.132 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -7.526 -5.092 3.050 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -5.640 -6.184 1.951 1.00 0.00 C ATOM 1325 CZ PHE A 85 -6.660 -6.183 2.921 1.00 0.00 C ATOM 0 H PHE A 85 -4.391 -3.181 1.981 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.975 -0.967 0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.233 -2.416 0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.670 -3.002 -0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.074 -3.127 2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.760 -5.041 0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.301 -5.115 3.802 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.966 -7.022 1.847 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.776 -7.035 3.574 1.00 0.00 H new ATOM 1335 N ALA A 86 -7.276 0.137 1.312 1.00 0.00 N ATOM 1336 CA ALA A 86 -8.302 0.903 2.026 1.00 0.00 C ATOM 1337 C ALA A 86 -9.727 0.510 1.706 1.00 0.00 C ATOM 1338 O ALA A 86 -10.616 1.050 2.360 1.00 0.00 O ATOM 1339 CB ALA A 86 -8.138 2.370 1.566 1.00 0.00 C ATOM 0 H ALA A 86 -7.096 0.462 0.362 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.156 0.725 3.091 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.879 2.993 2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.138 2.721 1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.281 2.431 0.487 1.00 0.00 H new