USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 562 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 89 ASN : amide:sc= 0.47 K(o=0.39,f=-6.8) USER MOD Set 1.2: B 234 ASN : amide:sc= -0.0759! C(o=0.39!,f=-6.8!) USER MOD Set 2.1: A 69 THR OG1 : rot 152:sc= 0.842 USER MOD Set 2.2: A 115 TYR OH : rot 176:sc= 1.81 USER MOD Set 3.1: A 94 ASN : amide:sc= 1.02 K(o=2,f=-1.1!) USER MOD Set 3.2: A 96 THR OG1 : rot -88:sc= 0.973 USER MOD Set 4.1: A 87 TYR OH : rot 118:sc= -0.674! USER MOD Set 4.2: A 95 THR OG1 : rot 180:sc= 0.806 USER MOD Set 5.1: A 61 ASN : amide:sc= 1.04 K(o=2.2,f=-1.4) USER MOD Set 5.2: A 62 THR OG1 : rot -48:sc= 1.17 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -180:sc= 1.03 USER MOD Single : A 66 GLN : amide:sc=-0.00908 K(o=-0.0091,f=-2.6!) USER MOD Single : A 70 CYS SG : rot 180:sc= -0.0745 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 69:sc= -2.43! USER MOD Single : A 92 LYS NZ :NH3+ -169:sc= -1.99! (180deg=-2.82!) USER MOD Single : A 93 TYR OH : rot -151:sc= 1.22 USER MOD Single : A 98 ASN : amide:sc= -0.892 K(o=-0.89,f=-2.2!) USER MOD Single : A 100 TYR OH : rot -101:sc= 1.21 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 111 SER OG : rot 180:sc= 0.041 USER MOD Single : A 114 ASN : amide:sc= 1.16 K(o=1.2,f=-0.45) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.355 X(o=-0.36,f=-0.56) USER MOD Single : B 232 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.52) USER MOD Single : B 233 LYS NZ :NH3+ -151:sc= -16.5! (180deg=-18.6!) USER MOD Single : B 236 LYS NZ :NH3+ -177:sc= 0.813 (180deg=0.613) USER MOD ----------------------------------------------------------------- ATOM 229 N TYR A 59 -16.679 -3.934 -0.875 1.00 0.00 N ATOM 230 CA TYR A 59 -15.575 -3.595 -1.764 1.00 0.00 C ATOM 231 C TYR A 59 -14.456 -2.887 -0.999 1.00 0.00 C ATOM 232 O TYR A 59 -14.592 -1.730 -0.589 1.00 0.00 O ATOM 233 CB TYR A 59 -16.049 -2.716 -2.922 1.00 0.00 C ATOM 234 CG TYR A 59 -17.333 -3.186 -3.576 1.00 0.00 C ATOM 235 CD1 TYR A 59 -17.364 -4.354 -4.327 1.00 0.00 C ATOM 236 CD2 TYR A 59 -18.512 -2.462 -3.442 1.00 0.00 C ATOM 237 CE1 TYR A 59 -18.533 -4.786 -4.927 1.00 0.00 C ATOM 238 CE2 TYR A 59 -19.682 -2.889 -4.040 1.00 0.00 C ATOM 239 CZ TYR A 59 -19.688 -4.050 -4.780 1.00 0.00 C ATOM 240 OH TYR A 59 -20.851 -4.477 -5.377 1.00 0.00 O ATOM 0 HA TYR A 59 -15.186 -4.528 -2.173 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -16.192 -1.699 -2.556 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -15.264 -2.675 -3.677 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -16.461 -4.934 -4.444 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -18.513 -1.551 -2.861 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -18.540 -5.696 -5.508 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -20.589 -2.314 -3.927 1.00 0.00 H new ATOM 0 HH TYR A 59 -21.573 -3.846 -5.175 1.00 0.00 H new ATOM 250 N CYS A 60 -13.347 -3.589 -0.823 1.00 0.00 N ATOM 251 CA CYS A 60 -12.185 -3.041 -0.122 1.00 0.00 C ATOM 252 C CYS A 60 -11.502 -1.987 -0.988 1.00 0.00 C ATOM 253 O CYS A 60 -10.443 -2.229 -1.572 1.00 0.00 O ATOM 254 CB CYS A 60 -11.195 -4.150 0.244 1.00 0.00 C ATOM 255 SG CYS A 60 -11.955 -5.780 0.515 1.00 0.00 S ATOM 0 H CYS A 60 -13.222 -4.545 -1.156 1.00 0.00 H new ATOM 0 HA CYS A 60 -12.528 -2.575 0.801 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -10.455 -4.236 -0.552 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -10.660 -3.858 1.147 1.00 0.00 H new ATOM 260 N ASN A 61 -12.133 -0.824 -1.079 1.00 0.00 N ATOM 261 CA ASN A 61 -11.623 0.278 -1.886 1.00 0.00 C ATOM 262 C ASN A 61 -10.310 0.837 -1.335 1.00 0.00 C ATOM 263 O ASN A 61 -9.854 0.447 -0.257 1.00 0.00 O ATOM 264 CB ASN A 61 -12.681 1.389 -2.000 1.00 0.00 C ATOM 265 CG ASN A 61 -12.615 2.398 -0.868 1.00 0.00 C ATOM 266 OD1 ASN A 61 -11.864 3.375 -0.938 1.00 0.00 O ATOM 267 ND2 ASN A 61 -13.397 2.172 0.178 1.00 0.00 N ATOM 0 H ASN A 61 -13.009 -0.618 -0.598 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.411 -0.115 -2.880 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.551 1.909 -2.949 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.673 0.937 -2.017 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.393 2.819 0.967 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.003 1.351 0.194 1.00 0.00 H new ATOM 274 N THR A 62 -9.725 1.750 -2.111 1.00 0.00 N ATOM 275 CA THR A 62 -8.455 2.422 -1.781 1.00 0.00 C ATOM 276 C THR A 62 -8.039 2.265 -0.314 1.00 0.00 C ATOM 277 O THR A 62 -8.546 2.961 0.571 1.00 0.00 O ATOM 278 CB THR A 62 -8.547 3.913 -2.127 1.00 0.00 C ATOM 279 OG1 THR A 62 -9.598 4.548 -1.407 1.00 0.00 O ATOM 280 CG2 THR A 62 -8.780 4.173 -3.598 1.00 0.00 C ATOM 0 H THR A 62 -10.121 2.052 -3.001 1.00 0.00 H new ATOM 0 HA THR A 62 -7.687 1.933 -2.380 1.00 0.00 H new ATOM 0 HB THR A 62 -7.578 4.325 -1.846 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.414 4.010 -1.476 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.835 5.247 -3.773 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.957 3.752 -4.177 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.716 3.707 -3.906 1.00 0.00 H new ATOM 288 N THR A 63 -7.098 1.357 -0.073 1.00 0.00 N ATOM 289 CA THR A 63 -6.584 1.111 1.274 1.00 0.00 C ATOM 290 C THR A 63 -5.085 1.374 1.322 1.00 0.00 C ATOM 291 O THR A 63 -4.397 1.281 0.305 1.00 0.00 O ATOM 292 CB THR A 63 -6.893 -0.324 1.720 1.00 0.00 C ATOM 293 OG1 THR A 63 -7.618 -0.317 2.938 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.670 -1.190 1.942 1.00 0.00 C ATOM 0 H THR A 63 -6.673 0.776 -0.796 1.00 0.00 H new ATOM 0 HA THR A 63 -7.080 1.795 1.963 1.00 0.00 H new ATOM 0 HB THR A 63 -7.466 -0.749 0.896 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.806 -1.239 3.212 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.982 -2.186 2.255 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.102 -1.262 1.014 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.045 -0.745 2.717 1.00 0.00 H new ATOM 302 N LEU A 64 -4.577 1.698 2.501 1.00 0.00 N ATOM 303 CA LEU A 64 -3.154 1.971 2.654 1.00 0.00 C ATOM 304 C LEU A 64 -2.477 0.969 3.584 1.00 0.00 C ATOM 305 O LEU A 64 -3.134 0.210 4.301 1.00 0.00 O ATOM 306 CB LEU A 64 -2.938 3.394 3.167 1.00 0.00 C ATOM 307 CG LEU A 64 -1.733 4.124 2.569 1.00 0.00 C ATOM 308 CD1 LEU A 64 -2.180 5.367 1.818 1.00 0.00 C ATOM 309 CD2 LEU A 64 -0.739 4.491 3.658 1.00 0.00 C ATOM 0 H LEU A 64 -5.122 1.778 3.360 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.696 1.869 1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.835 3.978 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.821 3.359 4.250 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.242 3.454 1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.309 5.872 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.856 5.082 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.696 6.040 2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.111 5.009 3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.222 5.143 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.393 3.585 4.155 1.00 0.00 H new ATOM 321 N ASP A 65 -1.152 0.993 3.559 1.00 0.00 N ATOM 322 CA ASP A 65 -0.328 0.118 4.383 1.00 0.00 C ATOM 323 C ASP A 65 0.732 0.956 5.110 1.00 0.00 C ATOM 324 O ASP A 65 1.150 1.994 4.599 1.00 0.00 O ATOM 325 CB ASP A 65 0.327 -0.950 3.494 1.00 0.00 C ATOM 326 CG ASP A 65 -0.358 -2.304 3.561 1.00 0.00 C ATOM 327 OD1 ASP A 65 -1.105 -2.558 4.527 1.00 0.00 O ATOM 328 OD2 ASP A 65 -0.141 -3.120 2.637 1.00 0.00 O ATOM 0 H ASP A 65 -0.615 1.623 2.963 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.943 -0.385 5.130 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.324 -0.602 2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.370 -1.065 3.789 1.00 0.00 H new ATOM 333 N GLN A 66 1.152 0.520 6.300 1.00 0.00 N ATOM 334 CA GLN A 66 2.152 1.260 7.089 1.00 0.00 C ATOM 335 C GLN A 66 3.354 1.712 6.244 1.00 0.00 C ATOM 336 O GLN A 66 3.882 2.807 6.445 1.00 0.00 O ATOM 337 CB GLN A 66 2.634 0.410 8.272 1.00 0.00 C ATOM 338 CG GLN A 66 2.274 0.997 9.630 1.00 0.00 C ATOM 339 CD GLN A 66 3.013 2.290 9.932 1.00 0.00 C ATOM 340 OE1 GLN A 66 4.199 2.278 10.251 1.00 0.00 O ATOM 341 NE2 GLN A 66 2.315 3.412 9.837 1.00 0.00 N ATOM 0 H GLN A 66 0.820 -0.338 6.741 1.00 0.00 H new ATOM 0 HA GLN A 66 1.660 2.159 7.460 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.203 -0.588 8.191 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.716 0.296 8.210 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.200 1.181 9.667 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.499 0.266 10.407 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.331 3.380 9.569 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.761 4.308 10.032 1.00 0.00 H new ATOM 350 N ILE A 67 3.778 0.868 5.302 1.00 0.00 N ATOM 351 CA ILE A 67 4.914 1.184 4.429 1.00 0.00 C ATOM 352 C ILE A 67 4.522 2.155 3.304 1.00 0.00 C ATOM 353 O ILE A 67 5.390 2.748 2.660 1.00 0.00 O ATOM 354 CB ILE A 67 5.508 -0.104 3.807 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.234 -0.923 4.868 1.00 0.00 C ATOM 356 CG2 ILE A 67 6.464 0.226 2.669 1.00 0.00 C ATOM 357 CD1 ILE A 67 6.166 -2.411 4.622 1.00 0.00 C ATOM 0 H ILE A 67 3.352 -0.041 5.123 1.00 0.00 H new ATOM 0 HA ILE A 67 5.665 1.667 5.055 1.00 0.00 H new ATOM 0 HB ILE A 67 4.681 -0.690 3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.279 -0.615 4.903 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.803 -0.703 5.845 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.865 -0.697 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.930 0.773 1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.282 0.839 3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.702 -2.935 5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.124 -2.731 4.616 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.623 -2.642 3.660 1.00 0.00 H new ATOM 369 N GLY A 68 3.220 2.312 3.071 1.00 0.00 N ATOM 370 CA GLY A 68 2.748 3.205 2.023 1.00 0.00 C ATOM 371 C GLY A 68 2.067 2.471 0.877 1.00 0.00 C ATOM 372 O GLY A 68 1.653 3.098 -0.100 1.00 0.00 O ATOM 0 H GLY A 68 2.482 1.836 3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.050 3.923 2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.591 3.775 1.632 1.00 0.00 H new ATOM 376 N THR A 69 1.942 1.143 0.992 1.00 0.00 N ATOM 377 CA THR A 69 1.296 0.345 -0.051 1.00 0.00 C ATOM 378 C THR A 69 -0.170 0.743 -0.202 1.00 0.00 C ATOM 379 O THR A 69 -0.988 0.466 0.674 1.00 0.00 O ATOM 380 CB THR A 69 1.383 -1.156 0.258 1.00 0.00 C ATOM 381 OG1 THR A 69 2.693 -1.536 0.637 1.00 0.00 O ATOM 382 CG2 THR A 69 0.982 -2.031 -0.910 1.00 0.00 C ATOM 0 H THR A 69 2.277 0.604 1.791 1.00 0.00 H new ATOM 0 HA THR A 69 1.825 0.542 -0.984 1.00 0.00 H new ATOM 0 HB THR A 69 0.681 -1.309 1.078 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.649 -2.315 1.230 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.066 -3.080 -0.625 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.048 -1.813 -1.191 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.639 -1.832 -1.757 1.00 0.00 H new ATOM 390 N CYS A 70 -0.499 1.390 -1.315 1.00 0.00 N ATOM 391 CA CYS A 70 -1.874 1.813 -1.571 1.00 0.00 C ATOM 392 C CYS A 70 -2.615 0.749 -2.371 1.00 0.00 C ATOM 393 O CYS A 70 -2.270 0.468 -3.520 1.00 0.00 O ATOM 394 CB CYS A 70 -1.905 3.151 -2.310 1.00 0.00 C ATOM 395 SG CYS A 70 -3.215 4.281 -1.735 1.00 0.00 S ATOM 0 H CYS A 70 0.163 1.633 -2.052 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.374 1.943 -0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.939 3.642 -2.194 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.042 2.964 -3.375 1.00 0.00 H new ATOM 0 HG CYS A 70 -3.163 5.388 -2.415 1.00 0.00 H new ATOM 400 N TRP A 71 -3.626 0.155 -1.747 1.00 0.00 N ATOM 401 CA TRP A 71 -4.424 -0.895 -2.374 1.00 0.00 C ATOM 402 C TRP A 71 -5.725 -0.320 -2.940 1.00 0.00 C ATOM 403 O TRP A 71 -6.656 -0.015 -2.192 1.00 0.00 O ATOM 404 CB TRP A 71 -4.697 -2.002 -1.350 1.00 0.00 C ATOM 405 CG TRP A 71 -3.435 -2.560 -0.746 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.674 -2.008 0.251 1.00 0.00 C ATOM 407 CD2 TRP A 71 -2.777 -3.775 -1.119 1.00 0.00 C ATOM 408 NE1 TRP A 71 -1.594 -2.812 0.515 1.00 0.00 N ATOM 409 CE2 TRP A 71 -1.633 -3.899 -0.311 1.00 0.00 C ATOM 410 CE3 TRP A 71 -3.047 -4.772 -2.055 1.00 0.00 C ATOM 411 CZ2 TRP A 71 -0.760 -4.977 -0.413 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -2.181 -5.844 -2.157 1.00 0.00 C ATOM 413 CH2 TRP A 71 -1.049 -5.939 -1.340 1.00 0.00 C ATOM 0 H TRP A 71 -3.916 0.386 -0.797 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.871 -1.323 -3.210 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.332 -1.608 -0.556 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -5.252 -2.808 -1.831 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.892 -1.078 0.754 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.877 -2.627 1.216 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.918 -4.708 -2.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.114 -5.051 0.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.381 -6.621 -2.879 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -0.391 -6.789 -1.444 1.00 0.00 H new ATOM 424 N PRO A 72 -5.786 -0.132 -4.276 1.00 0.00 N ATOM 425 CA PRO A 72 -6.952 0.445 -4.949 1.00 0.00 C ATOM 426 C PRO A 72 -8.028 -0.574 -5.347 1.00 0.00 C ATOM 427 O PRO A 72 -7.874 -1.312 -6.321 1.00 0.00 O ATOM 428 CB PRO A 72 -6.324 1.073 -6.191 1.00 0.00 C ATOM 429 CG PRO A 72 -5.187 0.168 -6.534 1.00 0.00 C ATOM 430 CD PRO A 72 -4.704 -0.434 -5.235 1.00 0.00 C ATOM 0 HA PRO A 72 -7.490 1.133 -4.297 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.041 1.137 -7.009 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.978 2.087 -5.991 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.507 -0.611 -7.226 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.387 0.721 -7.025 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.542 -1.508 -5.329 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.757 0.005 -4.920 1.00 0.00 H new ATOM 438 N GLN A 73 -9.131 -0.565 -4.595 1.00 0.00 N ATOM 439 CA GLN A 73 -10.282 -1.444 -4.852 1.00 0.00 C ATOM 440 C GLN A 73 -10.017 -2.907 -4.463 1.00 0.00 C ATOM 441 O GLN A 73 -8.867 -3.350 -4.394 1.00 0.00 O ATOM 442 CB GLN A 73 -10.703 -1.361 -6.325 1.00 0.00 C ATOM 443 CG GLN A 73 -12.078 -0.743 -6.534 1.00 0.00 C ATOM 444 CD GLN A 73 -12.482 -0.695 -7.994 1.00 0.00 C ATOM 445 OE1 GLN A 73 -12.182 0.263 -8.698 1.00 0.00 O ATOM 446 NE2 GLN A 73 -13.165 -1.731 -8.458 1.00 0.00 N ATOM 0 H GLN A 73 -9.255 0.050 -3.791 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.093 -1.086 -4.218 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.964 -0.776 -6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.696 -2.364 -6.753 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.818 -1.316 -5.975 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.083 0.268 -6.126 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.395 -2.509 -7.839 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.461 -1.751 -9.434 1.00 0.00 H new ATOM 455 N SER A 74 -11.113 -3.647 -4.219 1.00 0.00 N ATOM 456 CA SER A 74 -11.065 -5.072 -3.836 1.00 0.00 C ATOM 457 C SER A 74 -12.398 -5.501 -3.199 1.00 0.00 C ATOM 458 O SER A 74 -13.373 -4.754 -3.243 1.00 0.00 O ATOM 459 CB SER A 74 -9.908 -5.335 -2.861 1.00 0.00 C ATOM 460 OG SER A 74 -8.705 -5.598 -3.562 1.00 0.00 O ATOM 0 H SER A 74 -12.060 -3.274 -4.282 1.00 0.00 H new ATOM 0 HA SER A 74 -10.899 -5.661 -4.738 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.773 -4.471 -2.210 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.153 -6.182 -2.220 1.00 0.00 H new ATOM 0 HG SER A 74 -8.401 -4.780 -4.009 1.00 0.00 H new ATOM 466 N ALA A 75 -12.434 -6.695 -2.596 1.00 0.00 N ATOM 467 CA ALA A 75 -13.649 -7.197 -1.938 1.00 0.00 C ATOM 468 C ALA A 75 -13.313 -8.332 -0.955 1.00 0.00 C ATOM 469 O ALA A 75 -12.148 -8.716 -0.825 1.00 0.00 O ATOM 470 CB ALA A 75 -14.674 -7.642 -2.979 1.00 0.00 C ATOM 0 H ALA A 75 -11.638 -7.331 -2.549 1.00 0.00 H new ATOM 0 HA ALA A 75 -14.090 -6.385 -1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.567 -8.011 -2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.938 -6.796 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.249 -8.437 -3.592 1.00 0.00 H new ATOM 476 N PRO A 76 -14.315 -8.876 -0.230 1.00 0.00 N ATOM 477 CA PRO A 76 -14.086 -9.952 0.749 1.00 0.00 C ATOM 478 C PRO A 76 -13.413 -11.188 0.153 1.00 0.00 C ATOM 479 O PRO A 76 -13.728 -11.608 -0.961 1.00 0.00 O ATOM 480 CB PRO A 76 -15.494 -10.301 1.246 1.00 0.00 C ATOM 481 CG PRO A 76 -16.422 -9.717 0.242 1.00 0.00 C ATOM 482 CD PRO A 76 -15.734 -8.492 -0.279 1.00 0.00 C ATOM 0 HA PRO A 76 -13.405 -9.623 1.534 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.627 -11.380 1.324 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.675 -9.885 2.237 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -16.625 -10.424 -0.562 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.381 -9.465 0.695 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -16.053 -8.248 -1.292 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.939 -7.618 0.339 1.00 0.00 H new ATOM 490 N GLY A 77 -12.485 -11.765 0.919 1.00 0.00 N ATOM 491 CA GLY A 77 -11.767 -12.957 0.483 1.00 0.00 C ATOM 492 C GLY A 77 -11.051 -12.795 -0.853 1.00 0.00 C ATOM 493 O GLY A 77 -10.758 -13.786 -1.520 1.00 0.00 O ATOM 0 H GLY A 77 -12.216 -11.424 1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.036 -13.227 1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.471 -13.786 0.408 1.00 0.00 H new ATOM 497 N ALA A 78 -10.765 -11.552 -1.247 1.00 0.00 N ATOM 498 CA ALA A 78 -10.079 -11.287 -2.511 1.00 0.00 C ATOM 499 C ALA A 78 -8.562 -11.295 -2.331 1.00 0.00 C ATOM 500 O ALA A 78 -8.013 -10.455 -1.615 1.00 0.00 O ATOM 501 CB ALA A 78 -10.534 -9.954 -3.092 1.00 0.00 C ATOM 0 H ALA A 78 -10.997 -10.716 -0.710 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.340 -12.084 -3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.015 -9.771 -4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.609 -9.983 -3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.304 -9.153 -2.389 1.00 0.00 H new ATOM 507 N LEU A 79 -7.889 -12.242 -2.983 1.00 0.00 N ATOM 508 CA LEU A 79 -6.435 -12.348 -2.892 1.00 0.00 C ATOM 509 C LEU A 79 -5.762 -11.360 -3.840 1.00 0.00 C ATOM 510 O LEU A 79 -5.643 -11.609 -5.041 1.00 0.00 O ATOM 511 CB LEU A 79 -5.988 -13.782 -3.196 1.00 0.00 C ATOM 512 CG LEU A 79 -4.475 -14.013 -3.195 1.00 0.00 C ATOM 513 CD1 LEU A 79 -4.054 -14.784 -1.955 1.00 0.00 C ATOM 514 CD2 LEU A 79 -4.052 -14.753 -4.454 1.00 0.00 C ATOM 0 H LEU A 79 -8.327 -12.945 -3.578 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.132 -12.099 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.441 -14.449 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.381 -14.068 -4.172 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.977 -13.044 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.975 -14.939 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.326 -14.217 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.559 -15.750 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.973 -14.910 -4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.558 -15.717 -4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.320 -14.163 -5.330 1.00 0.00 H new ATOM 526 N VAL A 80 -5.338 -10.229 -3.291 1.00 0.00 N ATOM 527 CA VAL A 80 -4.692 -9.188 -4.076 1.00 0.00 C ATOM 528 C VAL A 80 -3.177 -9.187 -3.856 1.00 0.00 C ATOM 529 O VAL A 80 -2.691 -8.820 -2.784 1.00 0.00 O ATOM 530 CB VAL A 80 -5.286 -7.808 -3.722 1.00 0.00 C ATOM 531 CG1 VAL A 80 -4.654 -6.705 -4.552 1.00 0.00 C ATOM 532 CG2 VAL A 80 -6.794 -7.819 -3.917 1.00 0.00 C ATOM 0 H VAL A 80 -5.431 -10.010 -2.299 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.878 -9.395 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.065 -7.605 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.094 -5.746 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.581 -6.678 -4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.833 -6.898 -5.610 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.201 -6.840 -3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.025 -8.050 -4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.239 -8.575 -3.270 1.00 0.00 H new ATOM 542 N GLU A 81 -2.430 -9.609 -4.875 1.00 0.00 N ATOM 543 CA GLU A 81 -0.969 -9.659 -4.784 1.00 0.00 C ATOM 544 C GLU A 81 -0.334 -8.396 -5.371 1.00 0.00 C ATOM 545 O GLU A 81 -0.496 -8.092 -6.554 1.00 0.00 O ATOM 546 CB GLU A 81 -0.426 -10.914 -5.480 1.00 0.00 C ATOM 547 CG GLU A 81 -0.720 -10.984 -6.974 1.00 0.00 C ATOM 548 CD GLU A 81 -1.132 -12.372 -7.425 1.00 0.00 C ATOM 549 OE1 GLU A 81 -2.292 -12.756 -7.177 1.00 0.00 O ATOM 550 OE2 GLU A 81 -0.289 -13.077 -8.020 1.00 0.00 O ATOM 0 H GLU A 81 -2.809 -9.920 -5.770 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.701 -9.708 -3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.653 -10.958 -5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.850 -11.794 -4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.513 -10.277 -7.218 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.165 -10.674 -7.529 1.00 0.00 H new ATOM 557 N ARG A 82 0.384 -7.656 -4.527 1.00 0.00 N ATOM 558 CA ARG A 82 1.040 -6.420 -4.952 1.00 0.00 C ATOM 559 C ARG A 82 2.541 -6.469 -4.669 1.00 0.00 C ATOM 560 O ARG A 82 2.963 -6.982 -3.636 1.00 0.00 O ATOM 561 CB ARG A 82 0.417 -5.223 -4.230 1.00 0.00 C ATOM 562 CG ARG A 82 0.058 -4.070 -5.151 1.00 0.00 C ATOM 563 CD ARG A 82 0.437 -2.727 -4.544 1.00 0.00 C ATOM 564 NE ARG A 82 1.736 -2.242 -5.032 1.00 0.00 N ATOM 565 CZ ARG A 82 1.973 -1.848 -6.281 1.00 0.00 C ATOM 566 NH1 ARG A 82 1.030 -1.921 -7.199 1.00 0.00 N ATOM 567 NH2 ARG A 82 3.164 -1.385 -6.609 1.00 0.00 N ATOM 0 H ARG A 82 0.526 -7.891 -3.545 1.00 0.00 H new ATOM 0 HA ARG A 82 0.896 -6.312 -6.027 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.482 -5.553 -3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.113 -4.866 -3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.568 -4.195 -6.106 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.012 -4.088 -5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.334 -1.994 -4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.470 -2.818 -3.458 1.00 0.00 H new ATOM 0 HE ARG A 82 2.509 -2.205 -4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.108 -2.282 -6.955 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.222 -1.616 -8.153 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.901 -1.330 -5.906 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.348 -1.083 -7.566 1.00 0.00 H new ATOM 581 N PRO A 83 3.376 -5.934 -5.577 1.00 0.00 N ATOM 582 CA PRO A 83 4.829 -5.929 -5.390 1.00 0.00 C ATOM 583 C PRO A 83 5.236 -5.282 -4.066 1.00 0.00 C ATOM 584 O PRO A 83 5.045 -4.081 -3.859 1.00 0.00 O ATOM 585 CB PRO A 83 5.356 -5.114 -6.580 1.00 0.00 C ATOM 586 CG PRO A 83 4.164 -4.416 -7.141 1.00 0.00 C ATOM 587 CD PRO A 83 2.987 -5.295 -6.841 1.00 0.00 C ATOM 0 HA PRO A 83 5.236 -6.940 -5.351 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.116 -4.400 -6.262 1.00 0.00 H new ATOM 0 HB3 PRO A 83 5.819 -5.761 -7.325 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.040 -3.432 -6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.272 -4.262 -8.215 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.067 -4.719 -6.738 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.817 -6.028 -7.630 1.00 0.00 H new ATOM 595 N CYS A 84 5.793 -6.095 -3.172 1.00 0.00 N ATOM 596 CA CYS A 84 6.237 -5.625 -1.854 1.00 0.00 C ATOM 597 C CYS A 84 7.144 -4.405 -1.985 1.00 0.00 C ATOM 598 O CYS A 84 8.141 -4.453 -2.707 1.00 0.00 O ATOM 599 CB CYS A 84 7.010 -6.726 -1.115 1.00 0.00 C ATOM 600 SG CYS A 84 7.900 -7.874 -2.216 1.00 0.00 S ATOM 0 H CYS A 84 5.950 -7.090 -3.334 1.00 0.00 H new ATOM 0 HA CYS A 84 5.343 -5.358 -1.290 1.00 0.00 H new ATOM 0 HB2 CYS A 84 7.726 -6.261 -0.437 1.00 0.00 H new ATOM 0 HB3 CYS A 84 6.313 -7.295 -0.501 1.00 0.00 H new ATOM 605 N PRO A 85 6.840 -3.298 -1.277 1.00 0.00 N ATOM 606 CA PRO A 85 7.673 -2.090 -1.325 1.00 0.00 C ATOM 607 C PRO A 85 9.045 -2.321 -0.680 1.00 0.00 C ATOM 608 O PRO A 85 9.384 -1.722 0.337 1.00 0.00 O ATOM 609 CB PRO A 85 6.860 -1.057 -0.541 1.00 0.00 C ATOM 610 CG PRO A 85 5.967 -1.853 0.349 1.00 0.00 C ATOM 611 CD PRO A 85 5.684 -3.144 -0.372 1.00 0.00 C ATOM 0 HA PRO A 85 7.889 -1.774 -2.346 1.00 0.00 H new ATOM 0 HB2 PRO A 85 7.511 -0.402 0.039 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.282 -0.421 -1.211 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.446 -2.042 1.310 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.043 -1.313 0.554 1.00 0.00 H new ATOM 0 HD2 PRO A 85 5.604 -3.981 0.322 1.00 0.00 H new ATOM 0 HD3 PRO A 85 4.746 -3.097 -0.925 1.00 0.00 H new ATOM 619 N GLU A 86 9.817 -3.216 -1.290 1.00 0.00 N ATOM 620 CA GLU A 86 11.155 -3.577 -0.811 1.00 0.00 C ATOM 621 C GLU A 86 12.248 -2.723 -1.453 1.00 0.00 C ATOM 622 O GLU A 86 13.427 -2.846 -1.114 1.00 0.00 O ATOM 623 CB GLU A 86 11.413 -5.049 -1.152 1.00 0.00 C ATOM 624 CG GLU A 86 12.826 -5.544 -0.868 1.00 0.00 C ATOM 625 CD GLU A 86 13.356 -5.202 0.514 1.00 0.00 C ATOM 626 OE1 GLU A 86 12.567 -4.770 1.382 1.00 0.00 O ATOM 627 OE2 GLU A 86 14.575 -5.399 0.731 1.00 0.00 O ATOM 0 H GLU A 86 9.535 -3.715 -2.134 1.00 0.00 H new ATOM 0 HA GLU A 86 11.187 -3.405 0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.710 -5.664 -0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.197 -5.203 -2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.848 -6.627 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.500 -5.123 -1.614 1.00 0.00 H new ATOM 634 N TYR A 87 11.873 -1.898 -2.417 1.00 0.00 N ATOM 635 CA TYR A 87 12.851 -1.097 -3.128 1.00 0.00 C ATOM 636 C TYR A 87 12.984 0.329 -2.581 1.00 0.00 C ATOM 637 O TYR A 87 12.697 1.306 -3.275 1.00 0.00 O ATOM 638 CB TYR A 87 12.501 -1.095 -4.617 1.00 0.00 C ATOM 639 CG TYR A 87 12.698 -2.439 -5.303 1.00 0.00 C ATOM 640 CD1 TYR A 87 12.647 -3.643 -4.593 1.00 0.00 C ATOM 641 CD2 TYR A 87 12.933 -2.502 -6.670 1.00 0.00 C ATOM 642 CE1 TYR A 87 12.823 -4.851 -5.229 1.00 0.00 C ATOM 643 CE2 TYR A 87 13.111 -3.714 -7.311 1.00 0.00 C ATOM 644 CZ TYR A 87 13.054 -4.884 -6.589 1.00 0.00 C ATOM 645 OH TYR A 87 13.234 -6.091 -7.226 1.00 0.00 O ATOM 0 H TYR A 87 10.908 -1.767 -2.722 1.00 0.00 H new ATOM 0 HA TYR A 87 13.830 -1.552 -2.976 1.00 0.00 H new ATOM 0 HB2 TYR A 87 11.462 -0.788 -4.735 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.113 -0.348 -5.122 1.00 0.00 H new ATOM 0 HD1 TYR A 87 12.467 -3.625 -3.528 1.00 0.00 H new ATOM 0 HD2 TYR A 87 12.978 -1.588 -7.243 1.00 0.00 H new ATOM 0 HE1 TYR A 87 12.780 -5.771 -4.665 1.00 0.00 H new ATOM 0 HE2 TYR A 87 13.294 -3.742 -8.375 1.00 0.00 H new ATOM 0 HH TYR A 87 12.525 -6.220 -7.890 1.00 0.00 H new ATOM 655 N PHE A 88 13.467 0.437 -1.343 1.00 0.00 N ATOM 656 CA PHE A 88 13.692 1.742 -0.716 1.00 0.00 C ATOM 657 C PHE A 88 15.170 2.117 -0.790 1.00 0.00 C ATOM 658 O PHE A 88 15.531 3.292 -0.859 1.00 0.00 O ATOM 659 CB PHE A 88 13.222 1.745 0.741 1.00 0.00 C ATOM 660 CG PHE A 88 11.728 1.750 0.903 1.00 0.00 C ATOM 661 CD1 PHE A 88 10.966 2.794 0.403 1.00 0.00 C ATOM 662 CD2 PHE A 88 11.088 0.715 1.563 1.00 0.00 C ATOM 663 CE1 PHE A 88 9.593 2.804 0.558 1.00 0.00 C ATOM 664 CE2 PHE A 88 9.716 0.720 1.720 1.00 0.00 C ATOM 665 CZ PHE A 88 8.968 1.765 1.217 1.00 0.00 C ATOM 0 H PHE A 88 13.710 -0.360 -0.755 1.00 0.00 H new ATOM 0 HA PHE A 88 13.108 2.482 -1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 88 13.629 0.868 1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 88 13.634 2.620 1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 88 11.451 3.609 -0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.668 -0.105 1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.010 3.623 0.164 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.228 -0.094 2.236 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.895 1.770 1.339 1.00 0.00 H new ATOM 675 N ASN A 89 16.006 1.090 -0.777 1.00 0.00 N ATOM 676 CA ASN A 89 17.460 1.244 -0.843 1.00 0.00 C ATOM 677 C ASN A 89 18.072 0.480 -2.033 1.00 0.00 C ATOM 678 O ASN A 89 19.295 0.388 -2.141 1.00 0.00 O ATOM 679 CB ASN A 89 18.091 0.744 0.462 1.00 0.00 C ATOM 680 CG ASN A 89 18.052 1.779 1.565 1.00 0.00 C ATOM 681 OD1 ASN A 89 17.334 1.622 2.552 1.00 0.00 O ATOM 682 ND2 ASN A 89 18.824 2.842 1.411 1.00 0.00 N ATOM 0 H ASN A 89 15.698 0.119 -0.720 1.00 0.00 H new ATOM 0 HA ASN A 89 17.671 2.304 -0.985 1.00 0.00 H new ATOM 0 HB2 ASN A 89 17.568 -0.153 0.793 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.126 0.459 0.274 1.00 0.00 H new ATOM 0 HD21 ASN A 89 18.839 3.570 2.126 1.00 0.00 H new ATOM 0 HD22 ASN A 89 19.405 2.934 0.577 1.00 0.00 H new ATOM 689 N GLY A 90 17.226 -0.069 -2.917 1.00 0.00 N ATOM 690 CA GLY A 90 17.724 -0.818 -4.073 1.00 0.00 C ATOM 691 C GLY A 90 18.420 -2.113 -3.683 1.00 0.00 C ATOM 692 O GLY A 90 19.603 -2.308 -3.981 1.00 0.00 O ATOM 0 H GLY A 90 16.210 -0.009 -2.853 1.00 0.00 H new ATOM 0 HA2 GLY A 90 16.891 -1.045 -4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.419 -0.192 -4.633 1.00 0.00 H new ATOM 696 N ILE A 91 17.697 -2.998 -3.000 1.00 0.00 N ATOM 697 CA ILE A 91 18.274 -4.271 -2.555 1.00 0.00 C ATOM 698 C ILE A 91 17.882 -5.452 -3.444 1.00 0.00 C ATOM 699 O ILE A 91 18.595 -6.454 -3.496 1.00 0.00 O ATOM 700 CB ILE A 91 17.879 -4.604 -1.104 1.00 0.00 C ATOM 701 CG1 ILE A 91 17.878 -3.352 -0.219 1.00 0.00 C ATOM 702 CG2 ILE A 91 18.816 -5.661 -0.542 1.00 0.00 C ATOM 703 CD1 ILE A 91 19.028 -2.402 -0.477 1.00 0.00 C ATOM 0 H ILE A 91 16.719 -2.862 -2.743 1.00 0.00 H new ATOM 0 HA ILE A 91 19.352 -4.128 -2.623 1.00 0.00 H new ATOM 0 HB ILE A 91 16.862 -4.997 -1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 91 16.940 -2.817 -0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 91 17.905 -3.661 0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 91 18.531 -5.891 0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.751 -6.564 -1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 91 19.839 -5.286 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 91 18.949 -1.545 0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 91 19.972 -2.916 -0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 91 18.992 -2.060 -1.511 1.00 0.00 H new ATOM 715 N LYS A 92 16.757 -5.343 -4.134 1.00 0.00 N ATOM 716 CA LYS A 92 16.300 -6.418 -5.013 1.00 0.00 C ATOM 717 C LYS A 92 16.352 -5.969 -6.473 1.00 0.00 C ATOM 718 O LYS A 92 16.073 -4.811 -6.788 1.00 0.00 O ATOM 719 CB LYS A 92 14.895 -6.875 -4.607 1.00 0.00 C ATOM 720 CG LYS A 92 14.823 -8.336 -4.194 1.00 0.00 C ATOM 721 CD LYS A 92 15.584 -8.590 -2.898 1.00 0.00 C ATOM 722 CE LYS A 92 14.874 -7.981 -1.696 1.00 0.00 C ATOM 723 NZ LYS A 92 15.590 -6.777 -1.182 1.00 0.00 N ATOM 0 H LYS A 92 16.144 -4.528 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 92 16.968 -7.273 -4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.546 -6.256 -3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.213 -6.708 -5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.781 -8.628 -4.068 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.235 -8.960 -4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 92 15.697 -9.664 -2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 92 16.587 -8.172 -2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.856 -7.707 -1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 92 14.798 -8.725 -0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 15.190 -6.501 -0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 16.600 -6.996 -1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 15.480 -5.993 -1.857 1.00 0.00 H new ATOM 737 N TYR A 93 16.757 -6.881 -7.353 1.00 0.00 N ATOM 738 CA TYR A 93 16.900 -6.565 -8.774 1.00 0.00 C ATOM 739 C TYR A 93 16.314 -7.673 -9.656 1.00 0.00 C ATOM 740 O TYR A 93 17.018 -8.293 -10.454 1.00 0.00 O ATOM 741 CB TYR A 93 18.387 -6.329 -9.083 1.00 0.00 C ATOM 742 CG TYR A 93 19.153 -5.750 -7.905 1.00 0.00 C ATOM 743 CD1 TYR A 93 19.598 -6.568 -6.870 1.00 0.00 C ATOM 744 CD2 TYR A 93 19.401 -4.387 -7.811 1.00 0.00 C ATOM 745 CE1 TYR A 93 20.268 -6.044 -5.782 1.00 0.00 C ATOM 746 CE2 TYR A 93 20.075 -3.857 -6.726 1.00 0.00 C ATOM 747 CZ TYR A 93 20.505 -4.690 -5.716 1.00 0.00 C ATOM 748 OH TYR A 93 21.164 -4.161 -4.631 1.00 0.00 O ATOM 0 H TYR A 93 16.992 -7.843 -7.109 1.00 0.00 H new ATOM 0 HA TYR A 93 16.338 -5.659 -8.999 1.00 0.00 H new ATOM 0 HB2 TYR A 93 18.845 -7.273 -9.379 1.00 0.00 H new ATOM 0 HB3 TYR A 93 18.473 -5.652 -9.933 1.00 0.00 H new ATOM 0 HD1 TYR A 93 19.416 -7.631 -6.919 1.00 0.00 H new ATOM 0 HD2 TYR A 93 19.062 -3.730 -8.598 1.00 0.00 H new ATOM 0 HE1 TYR A 93 20.604 -6.693 -4.987 1.00 0.00 H new ATOM 0 HE2 TYR A 93 20.264 -2.795 -6.670 1.00 0.00 H new ATOM 0 HH TYR A 93 20.872 -3.236 -4.490 1.00 0.00 H new ATOM 758 N ASN A 94 15.012 -7.905 -9.496 1.00 0.00 N ATOM 759 CA ASN A 94 14.287 -8.927 -10.259 1.00 0.00 C ATOM 760 C ASN A 94 12.831 -8.995 -9.805 1.00 0.00 C ATOM 761 O ASN A 94 11.917 -9.028 -10.627 1.00 0.00 O ATOM 762 CB ASN A 94 14.945 -10.300 -10.092 1.00 0.00 C ATOM 763 CG ASN A 94 14.431 -11.316 -11.094 1.00 0.00 C ATOM 764 OD1 ASN A 94 13.539 -12.106 -10.787 1.00 0.00 O ATOM 765 ND2 ASN A 94 14.987 -11.302 -12.295 1.00 0.00 N ATOM 0 H ASN A 94 14.428 -7.392 -8.835 1.00 0.00 H new ATOM 0 HA ASN A 94 14.321 -8.649 -11.312 1.00 0.00 H new ATOM 0 HB2 ASN A 94 16.024 -10.198 -10.204 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.763 -10.666 -9.082 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.678 -11.963 -13.008 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.724 -10.630 -12.508 1.00 0.00 H new ATOM 772 N THR A 95 12.633 -8.993 -8.484 1.00 0.00 N ATOM 773 CA THR A 95 11.303 -9.032 -7.883 1.00 0.00 C ATOM 774 C THR A 95 10.423 -10.109 -8.519 1.00 0.00 C ATOM 775 O THR A 95 9.396 -9.810 -9.126 1.00 0.00 O ATOM 776 CB THR A 95 10.630 -7.659 -7.991 1.00 0.00 C ATOM 777 OG1 THR A 95 11.471 -6.715 -8.646 1.00 0.00 O ATOM 778 CG2 THR A 95 10.259 -7.071 -6.649 1.00 0.00 C ATOM 0 H THR A 95 13.392 -8.964 -7.803 1.00 0.00 H new ATOM 0 HA THR A 95 11.424 -9.288 -6.830 1.00 0.00 H new ATOM 0 HB THR A 95 9.723 -7.840 -8.568 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.013 -5.850 -8.700 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.787 -6.099 -6.795 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.565 -7.739 -6.139 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.157 -6.950 -6.044 1.00 0.00 H new ATOM 786 N THR A 96 10.825 -11.369 -8.364 1.00 0.00 N ATOM 787 CA THR A 96 10.065 -12.491 -8.925 1.00 0.00 C ATOM 788 C THR A 96 8.968 -12.974 -7.961 1.00 0.00 C ATOM 789 O THR A 96 8.616 -14.154 -7.956 1.00 0.00 O ATOM 790 CB THR A 96 11.004 -13.656 -9.278 1.00 0.00 C ATOM 791 OG1 THR A 96 12.361 -13.315 -9.032 1.00 0.00 O ATOM 792 CG2 THR A 96 10.897 -14.093 -10.722 1.00 0.00 C ATOM 0 H THR A 96 11.668 -11.641 -7.858 1.00 0.00 H new ATOM 0 HA THR A 96 9.580 -12.133 -9.834 1.00 0.00 H new ATOM 0 HB THR A 96 10.686 -14.479 -8.637 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.742 -12.892 -9.830 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.586 -14.918 -10.904 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.878 -14.419 -10.929 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.151 -13.258 -11.375 1.00 0.00 H new ATOM 800 N ARG A 97 8.427 -12.058 -7.151 1.00 0.00 N ATOM 801 CA ARG A 97 7.373 -12.388 -6.197 1.00 0.00 C ATOM 802 C ARG A 97 6.561 -11.144 -5.830 1.00 0.00 C ATOM 803 O ARG A 97 7.006 -10.014 -6.047 1.00 0.00 O ATOM 804 CB ARG A 97 7.963 -13.014 -4.934 1.00 0.00 C ATOM 805 CG ARG A 97 9.274 -12.391 -4.490 1.00 0.00 C ATOM 806 CD ARG A 97 10.469 -13.151 -5.037 1.00 0.00 C ATOM 807 NE ARG A 97 11.711 -12.422 -4.792 1.00 0.00 N ATOM 808 CZ ARG A 97 12.877 -12.996 -4.527 1.00 0.00 C ATOM 809 NH1 ARG A 97 13.019 -14.303 -4.628 1.00 0.00 N ATOM 810 NH2 ARG A 97 13.913 -12.251 -4.193 1.00 0.00 N ATOM 0 H ARG A 97 8.707 -11.077 -7.141 1.00 0.00 H new ATOM 0 HA ARG A 97 6.709 -13.111 -6.671 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.238 -12.926 -4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.119 -14.079 -5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.317 -11.355 -4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.320 -12.376 -3.401 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.523 -14.135 -4.571 1.00 0.00 H new ATOM 0 HD3 ARG A 97 10.343 -13.312 -6.108 1.00 0.00 H new ATOM 0 HE ARG A 97 11.679 -11.403 -4.827 1.00 0.00 H new ATOM 0 HH11 ARG A 97 12.228 -14.881 -4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 97 13.920 -14.736 -4.422 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.816 -11.237 -4.139 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.811 -12.689 -3.988 1.00 0.00 H new ATOM 824 N ASN A 98 5.371 -11.358 -5.270 1.00 0.00 N ATOM 825 CA ASN A 98 4.500 -10.250 -4.882 1.00 0.00 C ATOM 826 C ASN A 98 3.934 -10.421 -3.474 1.00 0.00 C ATOM 827 O ASN A 98 3.960 -11.512 -2.900 1.00 0.00 O ATOM 828 CB ASN A 98 3.354 -10.119 -5.878 1.00 0.00 C ATOM 829 CG ASN A 98 3.571 -9.011 -6.887 1.00 0.00 C ATOM 830 OD1 ASN A 98 4.677 -8.496 -7.041 1.00 0.00 O ATOM 831 ND2 ASN A 98 2.509 -8.632 -7.577 1.00 0.00 N ATOM 0 H ASN A 98 4.990 -12.284 -5.076 1.00 0.00 H new ATOM 0 HA ASN A 98 5.108 -9.345 -4.885 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.229 -11.064 -6.406 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.428 -9.932 -5.335 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.589 -7.886 -8.268 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.609 -9.086 -7.418 1.00 0.00 H new ATOM 838 N ALA A 99 3.399 -9.326 -2.942 1.00 0.00 N ATOM 839 CA ALA A 99 2.790 -9.312 -1.619 1.00 0.00 C ATOM 840 C ALA A 99 1.302 -9.630 -1.719 1.00 0.00 C ATOM 841 O ALA A 99 0.495 -8.775 -2.094 1.00 0.00 O ATOM 842 CB ALA A 99 2.997 -7.957 -0.963 1.00 0.00 C ATOM 0 H ALA A 99 3.376 -8.424 -3.417 1.00 0.00 H new ATOM 0 HA ALA A 99 3.268 -10.075 -1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.538 -7.957 0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.064 -7.758 -0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.537 -7.182 -1.576 1.00 0.00 H new ATOM 848 N TYR A 100 0.951 -10.867 -1.402 1.00 0.00 N ATOM 849 CA TYR A 100 -0.435 -11.314 -1.466 1.00 0.00 C ATOM 850 C TYR A 100 -1.237 -10.801 -0.272 1.00 0.00 C ATOM 851 O TYR A 100 -1.032 -11.231 0.866 1.00 0.00 O ATOM 852 CB TYR A 100 -0.487 -12.842 -1.548 1.00 0.00 C ATOM 853 CG TYR A 100 -0.055 -13.367 -2.899 1.00 0.00 C ATOM 854 CD1 TYR A 100 1.280 -13.340 -3.286 1.00 0.00 C ATOM 855 CD2 TYR A 100 -0.986 -13.868 -3.796 1.00 0.00 C ATOM 856 CE1 TYR A 100 1.671 -13.801 -4.528 1.00 0.00 C ATOM 857 CE2 TYR A 100 -0.602 -14.325 -5.041 1.00 0.00 C ATOM 858 CZ TYR A 100 0.726 -14.289 -5.401 1.00 0.00 C ATOM 859 OH TYR A 100 1.106 -14.731 -6.644 1.00 0.00 O ATOM 0 H TYR A 100 1.609 -11.583 -1.096 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.891 -10.900 -2.365 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.155 -13.266 -0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.502 -13.179 -1.339 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.023 -12.952 -2.605 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -2.029 -13.901 -3.516 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.713 -13.779 -4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.340 -14.709 -5.729 1.00 0.00 H new ATOM 0 HH TYR A 100 0.901 -14.044 -7.312 1.00 0.00 H new ATOM 869 N ARG A 101 -2.143 -9.866 -0.541 1.00 0.00 N ATOM 870 CA ARG A 101 -2.976 -9.274 0.499 1.00 0.00 C ATOM 871 C ARG A 101 -4.449 -9.619 0.288 1.00 0.00 C ATOM 872 O ARG A 101 -5.077 -9.155 -0.667 1.00 0.00 O ATOM 873 CB ARG A 101 -2.790 -7.755 0.514 1.00 0.00 C ATOM 874 CG ARG A 101 -3.251 -7.099 1.804 1.00 0.00 C ATOM 875 CD ARG A 101 -3.463 -5.604 1.631 1.00 0.00 C ATOM 876 NE ARG A 101 -2.934 -4.836 2.762 1.00 0.00 N ATOM 877 CZ ARG A 101 -3.349 -4.979 4.018 1.00 0.00 C ATOM 878 NH1 ARG A 101 -4.312 -5.823 4.311 1.00 0.00 N ATOM 879 NH2 ARG A 101 -2.807 -4.274 4.986 1.00 0.00 N ATOM 0 H ARG A 101 -2.319 -9.500 -1.477 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.666 -9.686 1.460 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -1.736 -7.525 0.355 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.340 -7.322 -0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -4.180 -7.562 2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -2.511 -7.273 2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.979 -5.274 0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -4.528 -5.400 1.522 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.203 -4.150 2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -4.748 -6.375 3.573 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.624 -5.926 5.277 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.061 -3.610 4.777 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.132 -4.391 5.946 1.00 0.00 H new ATOM 893 N GLU A 102 -5.000 -10.431 1.185 1.00 0.00 N ATOM 894 CA GLU A 102 -6.401 -10.828 1.094 1.00 0.00 C ATOM 895 C GLU A 102 -7.284 -9.941 1.972 1.00 0.00 C ATOM 896 O GLU A 102 -6.818 -9.347 2.950 1.00 0.00 O ATOM 897 CB GLU A 102 -6.569 -12.299 1.478 1.00 0.00 C ATOM 898 CG GLU A 102 -6.993 -13.176 0.309 1.00 0.00 C ATOM 899 CD GLU A 102 -7.270 -14.609 0.707 1.00 0.00 C ATOM 900 OE1 GLU A 102 -8.290 -14.851 1.385 1.00 0.00 O ATOM 901 OE2 GLU A 102 -6.466 -15.490 0.338 1.00 0.00 O ATOM 0 H GLU A 102 -4.499 -10.826 1.981 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.719 -10.700 0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.628 -12.673 1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.311 -12.379 2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.888 -12.753 -0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.211 -13.161 -0.450 1.00 0.00 H new ATOM 908 N CYS A 103 -8.561 -9.849 1.605 1.00 0.00 N ATOM 909 CA CYS A 103 -9.522 -9.029 2.345 1.00 0.00 C ATOM 910 C CYS A 103 -10.425 -9.890 3.228 1.00 0.00 C ATOM 911 O CYS A 103 -10.758 -11.020 2.871 1.00 0.00 O ATOM 912 CB CYS A 103 -10.375 -8.213 1.376 1.00 0.00 C ATOM 913 SG CYS A 103 -10.837 -6.572 2.006 1.00 0.00 S ATOM 0 H CYS A 103 -8.956 -10.333 0.798 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.958 -8.354 2.989 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -9.829 -8.092 0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -11.282 -8.772 1.146 1.00 0.00 H new ATOM 918 N LEU A 104 -10.823 -9.345 4.379 1.00 0.00 N ATOM 919 CA LEU A 104 -11.688 -10.063 5.317 1.00 0.00 C ATOM 920 C LEU A 104 -13.003 -10.492 4.656 1.00 0.00 C ATOM 921 O LEU A 104 -13.460 -9.881 3.690 1.00 0.00 O ATOM 922 CB LEU A 104 -11.962 -9.203 6.555 1.00 0.00 C ATOM 923 CG LEU A 104 -10.759 -9.007 7.481 1.00 0.00 C ATOM 924 CD1 LEU A 104 -10.947 -7.776 8.351 1.00 0.00 C ATOM 925 CD2 LEU A 104 -10.542 -10.238 8.344 1.00 0.00 C ATOM 0 H LEU A 104 -10.560 -8.408 4.684 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.165 -10.968 5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -12.315 -8.224 6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.771 -9.660 7.125 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.874 -8.859 6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.081 -7.655 9.002 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.051 -6.895 7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.844 -7.894 8.959 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.682 -10.079 8.995 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.429 -10.418 8.951 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.359 -11.102 7.706 1.00 0.00 H new ATOM 937 N GLU A 105 -13.589 -11.560 5.190 1.00 0.00 N ATOM 938 CA GLU A 105 -14.844 -12.132 4.678 1.00 0.00 C ATOM 939 C GLU A 105 -15.946 -11.084 4.459 1.00 0.00 C ATOM 940 O GLU A 105 -16.748 -11.212 3.536 1.00 0.00 O ATOM 941 CB GLU A 105 -15.338 -13.224 5.628 1.00 0.00 C ATOM 942 CG GLU A 105 -16.206 -14.277 4.954 1.00 0.00 C ATOM 943 CD GLU A 105 -16.255 -15.579 5.727 1.00 0.00 C ATOM 944 OE1 GLU A 105 -17.142 -15.723 6.593 1.00 0.00 O ATOM 945 OE2 GLU A 105 -15.404 -16.454 5.467 1.00 0.00 O ATOM 0 H GLU A 105 -13.210 -12.060 5.994 1.00 0.00 H new ATOM 0 HA GLU A 105 -14.622 -12.555 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.477 -13.713 6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.905 -12.761 6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -17.218 -13.889 4.840 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -15.824 -14.469 3.951 1.00 0.00 H new ATOM 952 N ASN A 106 -15.987 -10.053 5.301 1.00 0.00 N ATOM 953 CA ASN A 106 -17.002 -8.999 5.171 1.00 0.00 C ATOM 954 C ASN A 106 -16.626 -7.977 4.086 1.00 0.00 C ATOM 955 O ASN A 106 -17.479 -7.214 3.617 1.00 0.00 O ATOM 956 CB ASN A 106 -17.196 -8.277 6.509 1.00 0.00 C ATOM 957 CG ASN A 106 -17.559 -9.221 7.635 1.00 0.00 C ATOM 958 OD1 ASN A 106 -18.708 -9.630 7.770 1.00 0.00 O ATOM 959 ND2 ASN A 106 -16.580 -9.572 8.456 1.00 0.00 N ATOM 0 H ASN A 106 -15.337 -9.922 6.076 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.934 -9.481 4.876 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -16.280 -7.746 6.767 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -17.980 -7.527 6.402 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.769 -10.204 9.234 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.638 -9.210 8.310 1.00 0.00 H new ATOM 966 N GLY A 107 -15.351 -7.964 3.694 1.00 0.00 N ATOM 967 CA GLY A 107 -14.885 -7.029 2.680 1.00 0.00 C ATOM 968 C GLY A 107 -13.993 -5.942 3.257 1.00 0.00 C ATOM 969 O GLY A 107 -13.971 -4.817 2.756 1.00 0.00 O ATOM 0 H GLY A 107 -14.631 -8.586 4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -14.337 -7.574 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -15.744 -6.569 2.192 1.00 0.00 H new ATOM 973 N THR A 108 -13.256 -6.278 4.316 1.00 0.00 N ATOM 974 CA THR A 108 -12.357 -5.323 4.964 1.00 0.00 C ATOM 975 C THR A 108 -10.916 -5.815 4.898 1.00 0.00 C ATOM 976 O THR A 108 -10.637 -6.984 5.164 1.00 0.00 O ATOM 977 CB THR A 108 -12.770 -5.091 6.422 1.00 0.00 C ATOM 978 OG1 THR A 108 -13.230 -6.292 7.020 1.00 0.00 O ATOM 979 CG2 THR A 108 -13.868 -4.064 6.573 1.00 0.00 C ATOM 0 H THR A 108 -13.264 -7.204 4.743 1.00 0.00 H new ATOM 0 HA THR A 108 -12.428 -4.376 4.430 1.00 0.00 H new ATOM 0 HB THR A 108 -11.870 -4.724 6.916 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.486 -6.117 7.950 1.00 0.00 H new ATOM 0 HG21 THR A 108 -14.114 -3.947 7.628 1.00 0.00 H new ATOM 0 HG22 THR A 108 -13.531 -3.109 6.171 1.00 0.00 H new ATOM 0 HG23 THR A 108 -14.753 -4.395 6.029 1.00 0.00 H new ATOM 987 N TRP A 109 -10.001 -4.926 4.531 1.00 0.00 N ATOM 988 CA TRP A 109 -8.595 -5.293 4.425 1.00 0.00 C ATOM 989 C TRP A 109 -8.065 -5.822 5.760 1.00 0.00 C ATOM 990 O TRP A 109 -8.467 -5.363 6.833 1.00 0.00 O ATOM 991 CB TRP A 109 -7.764 -4.104 3.945 1.00 0.00 C ATOM 992 CG TRP A 109 -8.005 -3.750 2.503 1.00 0.00 C ATOM 993 CD1 TRP A 109 -8.739 -2.702 2.024 1.00 0.00 C ATOM 994 CD2 TRP A 109 -7.513 -4.451 1.356 1.00 0.00 C ATOM 995 NE1 TRP A 109 -8.721 -2.701 0.646 1.00 0.00 N ATOM 996 CE2 TRP A 109 -7.974 -3.767 0.214 1.00 0.00 C ATOM 997 CE3 TRP A 109 -6.721 -5.589 1.183 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -7.666 -4.186 -1.078 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -6.419 -6.005 -0.098 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -6.888 -5.304 -1.215 1.00 0.00 C ATOM 0 H TRP A 109 -10.205 -3.953 4.303 1.00 0.00 H new ATOM 0 HA TRP A 109 -8.508 -6.092 3.689 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.990 -3.238 4.567 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -6.707 -4.329 4.084 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -9.258 -1.979 2.636 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -9.186 -2.020 0.046 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -6.351 -6.135 2.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -8.028 -3.648 -1.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.811 -6.886 -0.241 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.631 -5.652 -2.205 1.00 0.00 H new ATOM 1011 N ALA A 110 -7.172 -6.800 5.680 1.00 0.00 N ATOM 1012 CA ALA A 110 -6.587 -7.414 6.871 1.00 0.00 C ATOM 1013 C ALA A 110 -5.395 -6.603 7.385 1.00 0.00 C ATOM 1014 O ALA A 110 -4.814 -5.805 6.647 1.00 0.00 O ATOM 1015 CB ALA A 110 -6.172 -8.848 6.565 1.00 0.00 C ATOM 0 H ALA A 110 -6.834 -7.188 4.800 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.341 -7.424 7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.737 -9.299 7.457 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.046 -9.422 6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.436 -8.850 5.761 1.00 0.00 H new ATOM 1021 N SER A 111 -5.028 -6.812 8.645 1.00 0.00 N ATOM 1022 CA SER A 111 -3.898 -6.096 9.244 1.00 0.00 C ATOM 1023 C SER A 111 -2.583 -6.445 8.540 1.00 0.00 C ATOM 1024 O SER A 111 -2.003 -5.612 7.840 1.00 0.00 O ATOM 1025 CB SER A 111 -3.794 -6.426 10.736 1.00 0.00 C ATOM 1026 OG SER A 111 -3.701 -7.828 10.937 1.00 0.00 O ATOM 0 H SER A 111 -5.492 -7.468 9.273 1.00 0.00 H new ATOM 0 HA SER A 111 -4.076 -5.028 9.123 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.919 -5.934 11.162 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.666 -6.036 11.261 1.00 0.00 H new ATOM 0 HG SER A 111 -3.634 -8.017 11.896 1.00 0.00 H new ATOM 1032 N ARG A 112 -2.121 -7.678 8.738 1.00 0.00 N ATOM 1033 CA ARG A 112 -0.872 -8.150 8.134 1.00 0.00 C ATOM 1034 C ARG A 112 -1.042 -8.476 6.645 1.00 0.00 C ATOM 1035 O ARG A 112 -2.160 -8.667 6.160 1.00 0.00 O ATOM 1036 CB ARG A 112 -0.364 -9.393 8.876 1.00 0.00 C ATOM 1037 CG ARG A 112 0.768 -9.110 9.853 1.00 0.00 C ATOM 1038 CD ARG A 112 1.544 -10.375 10.184 1.00 0.00 C ATOM 1039 NE ARG A 112 0.835 -11.209 11.161 1.00 0.00 N ATOM 1040 CZ ARG A 112 1.035 -11.168 12.477 1.00 0.00 C ATOM 1041 NH1 ARG A 112 1.928 -10.349 13.002 1.00 0.00 N ATOM 1042 NH2 ARG A 112 0.334 -11.954 13.270 1.00 0.00 N ATOM 0 H ARG A 112 -2.594 -8.373 9.315 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.144 -7.343 8.220 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.194 -9.844 9.419 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.025 -10.127 8.145 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.443 -8.369 9.425 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.362 -8.680 10.769 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.712 -10.947 9.272 1.00 0.00 H new ATOM 0 HD3 ARG A 112 2.524 -10.107 10.578 1.00 0.00 H new ATOM 0 HE ARG A 112 0.140 -11.866 10.807 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.476 -9.737 12.398 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.070 -10.329 14.012 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.358 -12.590 12.875 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.484 -11.926 14.279 1.00 0.00 H new ATOM 1056 N VAL A 113 0.083 -8.552 5.934 1.00 0.00 N ATOM 1057 CA VAL A 113 0.086 -8.873 4.504 1.00 0.00 C ATOM 1058 C VAL A 113 1.185 -9.887 4.188 1.00 0.00 C ATOM 1059 O VAL A 113 2.207 -9.932 4.878 1.00 0.00 O ATOM 1060 CB VAL A 113 0.312 -7.616 3.633 1.00 0.00 C ATOM 1061 CG1 VAL A 113 -0.057 -7.893 2.185 1.00 0.00 C ATOM 1062 CG2 VAL A 113 -0.477 -6.431 4.166 1.00 0.00 C ATOM 0 H VAL A 113 1.011 -8.395 6.327 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.893 -9.291 4.271 1.00 0.00 H new ATOM 0 HB VAL A 113 1.372 -7.364 3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.109 -6.996 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.562 -8.704 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.107 -8.179 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.299 -5.561 3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.540 -6.671 4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.158 -6.210 5.185 1.00 0.00 H new ATOM 1072 N ASN A 114 0.994 -10.692 3.142 1.00 0.00 N ATOM 1073 CA ASN A 114 2.000 -11.687 2.759 1.00 0.00 C ATOM 1074 C ASN A 114 3.208 -11.010 2.098 1.00 0.00 C ATOM 1075 O ASN A 114 3.502 -11.232 0.921 1.00 0.00 O ATOM 1076 CB ASN A 114 1.389 -12.740 1.829 1.00 0.00 C ATOM 1077 CG ASN A 114 0.379 -13.618 2.540 1.00 0.00 C ATOM 1078 OD1 ASN A 114 0.742 -14.469 3.347 1.00 0.00 O ATOM 1079 ND2 ASN A 114 -0.896 -13.407 2.258 1.00 0.00 N ATOM 0 H ASN A 114 0.163 -10.677 2.550 1.00 0.00 H new ATOM 0 HA ASN A 114 2.346 -12.190 3.662 1.00 0.00 H new ATOM 0 HB2 ASN A 114 0.906 -12.242 0.988 1.00 0.00 H new ATOM 0 HB3 ASN A 114 2.183 -13.363 1.418 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -1.618 -13.961 2.717 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -1.157 -12.690 1.581 1.00 0.00 H new ATOM 1086 N TYR A 115 3.899 -10.177 2.875 1.00 0.00 N ATOM 1087 CA TYR A 115 5.074 -9.449 2.395 1.00 0.00 C ATOM 1088 C TYR A 115 6.350 -10.296 2.503 1.00 0.00 C ATOM 1089 O TYR A 115 7.254 -10.178 1.668 1.00 0.00 O ATOM 1090 CB TYR A 115 5.244 -8.152 3.194 1.00 0.00 C ATOM 1091 CG TYR A 115 4.379 -7.003 2.715 1.00 0.00 C ATOM 1092 CD1 TYR A 115 4.385 -6.604 1.385 1.00 0.00 C ATOM 1093 CD2 TYR A 115 3.563 -6.310 3.600 1.00 0.00 C ATOM 1094 CE1 TYR A 115 3.601 -5.548 0.949 1.00 0.00 C ATOM 1095 CE2 TYR A 115 2.776 -5.256 3.171 1.00 0.00 C ATOM 1096 CZ TYR A 115 2.799 -4.879 1.846 1.00 0.00 C ATOM 1097 OH TYR A 115 2.025 -3.820 1.414 1.00 0.00 O ATOM 0 H TYR A 115 3.663 -9.988 3.849 1.00 0.00 H new ATOM 0 HA TYR A 115 4.915 -9.217 1.342 1.00 0.00 H new ATOM 0 HB2 TYR A 115 5.014 -8.352 4.241 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.289 -7.847 3.150 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.012 -7.126 0.678 1.00 0.00 H new ATOM 0 HD2 TYR A 115 3.543 -6.599 4.640 1.00 0.00 H new ATOM 0 HE1 TYR A 115 3.619 -5.251 -0.089 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.145 -4.730 3.873 1.00 0.00 H new ATOM 0 HH TYR A 115 1.469 -3.498 2.154 1.00 0.00 H new ATOM 1107 N SER A 116 6.417 -11.142 3.543 1.00 0.00 N ATOM 1108 CA SER A 116 7.581 -12.019 3.790 1.00 0.00 C ATOM 1109 C SER A 116 8.195 -12.567 2.492 1.00 0.00 C ATOM 1110 O SER A 116 9.415 -12.689 2.385 1.00 0.00 O ATOM 1111 CB SER A 116 7.181 -13.185 4.702 1.00 0.00 C ATOM 1112 OG SER A 116 7.661 -12.989 6.024 1.00 0.00 O ATOM 0 H SER A 116 5.673 -11.240 4.234 1.00 0.00 H new ATOM 0 HA SER A 116 8.340 -11.407 4.277 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.096 -13.283 4.717 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.580 -14.117 4.302 1.00 0.00 H new ATOM 0 HG SER A 116 7.391 -13.745 6.586 1.00 0.00 H new ATOM 1118 N HIS A 117 7.343 -12.890 1.514 1.00 0.00 N ATOM 1119 CA HIS A 117 7.796 -13.422 0.220 1.00 0.00 C ATOM 1120 C HIS A 117 8.932 -12.585 -0.394 1.00 0.00 C ATOM 1121 O HIS A 117 9.698 -13.085 -1.223 1.00 0.00 O ATOM 1122 CB HIS A 117 6.611 -13.488 -0.754 1.00 0.00 C ATOM 1123 CG HIS A 117 6.413 -14.830 -1.395 1.00 0.00 C ATOM 1124 ND1 HIS A 117 6.769 -16.021 -0.795 1.00 0.00 N ATOM 1125 CD2 HIS A 117 5.882 -15.161 -2.593 1.00 0.00 C ATOM 1126 CE1 HIS A 117 6.466 -17.026 -1.600 1.00 0.00 C ATOM 1127 NE2 HIS A 117 5.925 -16.529 -2.699 1.00 0.00 N ATOM 0 H HIS A 117 6.331 -12.793 1.592 1.00 0.00 H new ATOM 0 HA HIS A 117 8.192 -14.422 0.398 1.00 0.00 H new ATOM 0 HB2 HIS A 117 5.701 -13.216 -0.220 1.00 0.00 H new ATOM 0 HB3 HIS A 117 6.756 -12.743 -1.536 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.495 -14.475 -3.332 1.00 0.00 H new ATOM 0 HE1 HIS A 117 6.632 -18.073 -1.395 1.00 0.00 H new ATOM 0 HE2 HIS A 117 5.594 -17.073 -3.496 1.00 0.00 H new ATOM 1136 N CYS A 118 9.035 -11.312 0.006 1.00 0.00 N ATOM 1137 CA CYS A 118 10.074 -10.414 -0.514 1.00 0.00 C ATOM 1138 C CYS A 118 11.478 -10.806 -0.034 1.00 0.00 C ATOM 1139 O CYS A 118 12.139 -10.046 0.684 1.00 0.00 O ATOM 1140 CB CYS A 118 9.767 -8.963 -0.121 1.00 0.00 C ATOM 1141 SG CYS A 118 9.802 -7.809 -1.524 1.00 0.00 S ATOM 0 H CYS A 118 8.412 -10.880 0.688 1.00 0.00 H new ATOM 0 HA CYS A 118 10.066 -10.507 -1.600 1.00 0.00 H new ATOM 0 HB2 CYS A 118 8.784 -8.922 0.348 1.00 0.00 H new ATOM 0 HB3 CYS A 118 10.491 -8.636 0.626 1.00 0.00 H new ATOM 1146 N GLU A 119 11.938 -11.986 -0.454 1.00 0.00 N ATOM 1147 CA GLU A 119 13.271 -12.471 -0.087 1.00 0.00 C ATOM 1148 C GLU A 119 14.355 -11.706 -0.869 1.00 0.00 C ATOM 1149 O GLU A 119 14.038 -10.832 -1.682 1.00 0.00 O ATOM 1150 CB GLU A 119 13.380 -13.990 -0.315 1.00 0.00 C ATOM 1151 CG GLU A 119 12.768 -14.480 -1.619 1.00 0.00 C ATOM 1152 CD GLU A 119 13.394 -15.771 -2.110 1.00 0.00 C ATOM 1153 OE1 GLU A 119 14.398 -15.696 -2.853 1.00 0.00 O ATOM 1154 OE2 GLU A 119 12.879 -16.851 -1.760 1.00 0.00 O ATOM 0 H GLU A 119 11.408 -12.624 -1.048 1.00 0.00 H new ATOM 0 HA GLU A 119 13.429 -12.285 0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 119 14.432 -14.273 -0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.895 -14.504 0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 119 11.697 -14.630 -1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 119 12.885 -13.711 -2.382 1.00 0.00 H new ATOM 1161 N PRO A 120 15.653 -11.987 -0.617 1.00 0.00 N ATOM 1162 CA PRO A 120 16.755 -11.287 -1.287 1.00 0.00 C ATOM 1163 C PRO A 120 17.022 -11.773 -2.715 1.00 0.00 C ATOM 1164 O PRO A 120 16.213 -12.490 -3.314 1.00 0.00 O ATOM 1165 CB PRO A 120 17.975 -11.559 -0.391 1.00 0.00 C ATOM 1166 CG PRO A 120 17.485 -12.393 0.753 1.00 0.00 C ATOM 1167 CD PRO A 120 16.159 -12.971 0.345 1.00 0.00 C ATOM 0 HA PRO A 120 16.519 -10.229 -1.404 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.755 -12.081 -0.945 1.00 0.00 H new ATOM 0 HB3 PRO A 120 18.409 -10.626 -0.033 1.00 0.00 H new ATOM 0 HG2 PRO A 120 18.196 -13.186 0.983 1.00 0.00 H new ATOM 0 HG3 PRO A 120 17.380 -11.788 1.653 1.00 0.00 H new ATOM 0 HD2 PRO A 120 16.270 -13.957 -0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 120 15.489 -13.084 1.197 1.00 0.00 H new ATOM 1175 N ILE A 121 18.163 -11.348 -3.252 1.00 0.00 N ATOM 1176 CA ILE A 121 18.566 -11.698 -4.607 1.00 0.00 C ATOM 1177 C ILE A 121 20.064 -12.016 -4.672 1.00 0.00 C ATOM 1178 O ILE A 121 20.860 -11.454 -3.915 1.00 0.00 O ATOM 1179 CB ILE A 121 18.232 -10.540 -5.573 1.00 0.00 C ATOM 1180 CG1 ILE A 121 18.309 -10.999 -7.028 1.00 0.00 C ATOM 1181 CG2 ILE A 121 19.157 -9.355 -5.334 1.00 0.00 C ATOM 1182 CD1 ILE A 121 17.264 -10.353 -7.908 1.00 0.00 C ATOM 0 H ILE A 121 18.830 -10.754 -2.760 1.00 0.00 H new ATOM 0 HA ILE A 121 18.014 -12.589 -4.906 1.00 0.00 H new ATOM 0 HB ILE A 121 17.209 -10.222 -5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 121 19.299 -10.772 -7.423 1.00 0.00 H new ATOM 0 HG13 ILE A 121 18.191 -12.082 -7.068 1.00 0.00 H new ATOM 0 HG21 ILE A 121 18.904 -8.551 -6.025 1.00 0.00 H new ATOM 0 HG22 ILE A 121 19.040 -9.003 -4.309 1.00 0.00 H new ATOM 0 HG23 ILE A 121 20.190 -9.661 -5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 121 17.371 -10.720 -8.929 1.00 0.00 H new ATOM 0 HD12 ILE A 121 16.270 -10.602 -7.535 1.00 0.00 H new ATOM 0 HD13 ILE A 121 17.396 -9.271 -7.895 1.00 0.00 H new ATOM 1260 N GLU B 230 21.116 -2.162 5.303 1.00 0.00 N ATOM 1261 CA GLU B 230 20.161 -1.527 4.390 1.00 0.00 C ATOM 1262 C GLU B 230 18.936 -2.408 4.100 1.00 0.00 C ATOM 1263 O GLU B 230 17.802 -1.960 4.270 1.00 0.00 O ATOM 1264 CB GLU B 230 20.857 -1.143 3.080 1.00 0.00 C ATOM 1265 CG GLU B 230 21.757 0.082 3.204 1.00 0.00 C ATOM 1266 CD GLU B 230 20.999 1.341 3.591 1.00 0.00 C ATOM 1267 OE1 GLU B 230 21.171 2.393 2.974 1.00 0.00 O ATOM 0 HA GLU B 230 19.795 -0.630 4.889 1.00 0.00 H new ATOM 0 HB2 GLU B 230 21.453 -1.988 2.733 1.00 0.00 H new ATOM 0 HB3 GLU B 230 20.101 -0.952 2.319 1.00 0.00 H new ATOM 0 HG2 GLU B 230 22.528 -0.115 3.949 1.00 0.00 H new ATOM 0 HG3 GLU B 230 22.266 0.249 2.255 1.00 0.00 H new ATOM 1274 N ALA B 231 19.150 -3.650 3.650 1.00 0.00 N ATOM 1275 CA ALA B 231 18.019 -4.539 3.335 1.00 0.00 C ATOM 1276 C ALA B 231 17.192 -4.908 4.569 1.00 0.00 C ATOM 1277 O ALA B 231 16.008 -5.236 4.446 1.00 0.00 O ATOM 1278 CB ALA B 231 18.492 -5.796 2.626 1.00 0.00 C ATOM 0 H ALA B 231 20.072 -4.058 3.497 1.00 0.00 H new ATOM 0 HA ALA B 231 17.367 -3.977 2.666 1.00 0.00 H new ATOM 0 HB1 ALA B 231 17.636 -6.434 2.406 1.00 0.00 H new ATOM 0 HB2 ALA B 231 18.990 -5.523 1.696 1.00 0.00 H new ATOM 0 HB3 ALA B 231 19.190 -6.334 3.267 1.00 0.00 H new ATOM 1284 N HIS B 232 17.804 -4.855 5.754 1.00 0.00 N ATOM 1285 CA HIS B 232 17.092 -5.186 6.988 1.00 0.00 C ATOM 1286 C HIS B 232 15.944 -4.208 7.222 1.00 0.00 C ATOM 1287 O HIS B 232 14.789 -4.621 7.287 1.00 0.00 O ATOM 1288 CB HIS B 232 18.041 -5.185 8.189 1.00 0.00 C ATOM 1289 CG HIS B 232 17.491 -5.866 9.404 1.00 0.00 C ATOM 1290 ND1 HIS B 232 16.213 -6.385 9.475 1.00 0.00 N ATOM 1291 CD2 HIS B 232 18.061 -6.116 10.603 1.00 0.00 C ATOM 1292 CE1 HIS B 232 16.026 -6.924 10.667 1.00 0.00 C ATOM 1293 NE2 HIS B 232 17.133 -6.775 11.371 1.00 0.00 N ATOM 0 H HIS B 232 18.780 -4.589 5.884 1.00 0.00 H new ATOM 0 HA HIS B 232 16.682 -6.190 6.879 1.00 0.00 H new ATOM 0 HB2 HIS B 232 18.973 -5.673 7.903 1.00 0.00 H new ATOM 0 HB3 HIS B 232 18.287 -4.154 8.443 1.00 0.00 H new ATOM 0 HD2 HIS B 232 19.063 -5.847 10.903 1.00 0.00 H new ATOM 0 HE1 HIS B 232 15.121 -7.405 11.008 1.00 0.00 H new ATOM 0 HE2 HIS B 232 17.275 -7.097 12.328 1.00 0.00 H new ATOM 1302 N LYS B 233 16.267 -2.914 7.331 1.00 0.00 N ATOM 1303 CA LYS B 233 15.244 -1.886 7.541 1.00 0.00 C ATOM 1304 C LYS B 233 14.193 -1.934 6.430 1.00 0.00 C ATOM 1305 O LYS B 233 13.005 -1.722 6.682 1.00 0.00 O ATOM 1306 CB LYS B 233 15.878 -0.489 7.630 1.00 0.00 C ATOM 1307 CG LYS B 233 16.666 -0.075 6.396 1.00 0.00 C ATOM 1308 CD LYS B 233 17.953 0.648 6.771 1.00 0.00 C ATOM 1309 CE LYS B 233 18.514 1.448 5.604 1.00 0.00 C ATOM 1310 NZ LYS B 233 19.978 1.449 5.591 1.00 0.00 N ATOM 0 H LYS B 233 17.221 -2.557 7.278 1.00 0.00 H new ATOM 0 HA LYS B 233 14.749 -2.092 8.490 1.00 0.00 H new ATOM 0 HB2 LYS B 233 15.090 0.243 7.805 1.00 0.00 H new ATOM 0 HB3 LYS B 233 16.540 -0.458 8.496 1.00 0.00 H new ATOM 0 HG2 LYS B 233 16.903 -0.957 5.802 1.00 0.00 H new ATOM 0 HG3 LYS B 233 16.052 0.574 5.772 1.00 0.00 H new ATOM 0 HD2 LYS B 233 17.763 1.316 7.611 1.00 0.00 H new ATOM 0 HD3 LYS B 233 18.694 -0.079 7.103 1.00 0.00 H new ATOM 0 HE2 LYS B 233 18.144 1.031 4.668 1.00 0.00 H new ATOM 0 HE3 LYS B 233 18.152 2.474 5.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 20.321 2.327 5.151 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 20.334 1.389 6.566 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 20.321 0.632 5.046 1.00 0.00 H new ATOM 1322 N ASN B 234 14.629 -2.249 5.206 1.00 0.00 N ATOM 1323 CA ASN B 234 13.714 -2.359 4.070 1.00 0.00 C ATOM 1324 C ASN B 234 12.712 -3.492 4.312 1.00 0.00 C ATOM 1325 O ASN B 234 11.501 -3.278 4.248 1.00 0.00 O ATOM 1326 CB ASN B 234 14.501 -2.593 2.768 1.00 0.00 C ATOM 1327 CG ASN B 234 15.034 -1.308 2.153 1.00 0.00 C ATOM 1328 OD1 ASN B 234 14.654 -0.933 1.045 1.00 0.00 O ATOM 1329 ND2 ASN B 234 15.934 -0.634 2.855 1.00 0.00 N ATOM 0 H ASN B 234 15.607 -2.431 4.979 1.00 0.00 H new ATOM 0 HA ASN B 234 13.162 -1.425 3.968 1.00 0.00 H new ATOM 0 HB2 ASN B 234 15.335 -3.265 2.971 1.00 0.00 H new ATOM 0 HB3 ASN B 234 13.856 -3.094 2.046 1.00 0.00 H new ATOM 0 HD21 ASN B 234 16.335 0.225 2.479 1.00 0.00 H new ATOM 0 HD22 ASN B 234 16.226 -0.975 3.771 1.00 0.00 H new ATOM 1336 N ARG B 235 13.217 -4.692 4.620 1.00 0.00 N ATOM 1337 CA ARG B 235 12.342 -5.829 4.894 1.00 0.00 C ATOM 1338 C ARG B 235 11.654 -5.682 6.246 1.00 0.00 C ATOM 1339 O ARG B 235 10.466 -5.967 6.369 1.00 0.00 O ATOM 1340 CB ARG B 235 13.105 -7.148 4.832 1.00 0.00 C ATOM 1341 CG ARG B 235 12.656 -8.030 3.680 1.00 0.00 C ATOM 1342 CD ARG B 235 13.036 -7.429 2.340 1.00 0.00 C ATOM 1343 NE ARG B 235 13.922 -8.311 1.586 1.00 0.00 N ATOM 1344 CZ ARG B 235 15.204 -8.496 1.878 1.00 0.00 C ATOM 1345 NH1 ARG B 235 15.792 -7.759 2.804 1.00 0.00 N ATOM 1346 NH2 ARG B 235 15.902 -9.401 1.226 1.00 0.00 N ATOM 0 H ARG B 235 14.214 -4.896 4.684 1.00 0.00 H new ATOM 0 HA ARG B 235 11.578 -5.841 4.117 1.00 0.00 H new ATOM 0 HB2 ARG B 235 14.171 -6.942 4.733 1.00 0.00 H new ATOM 0 HB3 ARG B 235 12.970 -7.686 5.770 1.00 0.00 H new ATOM 0 HG2 ARG B 235 13.108 -9.017 3.779 1.00 0.00 H new ATOM 0 HG3 ARG B 235 11.576 -8.168 3.725 1.00 0.00 H new ATOM 0 HD2 ARG B 235 12.134 -7.235 1.759 1.00 0.00 H new ATOM 0 HD3 ARG B 235 13.526 -6.468 2.498 1.00 0.00 H new ATOM 0 HE ARG B 235 13.534 -8.814 0.788 1.00 0.00 H new ATOM 0 HH11 ARG B 235 15.261 -7.043 3.299 1.00 0.00 H new ATOM 0 HH12 ARG B 235 16.777 -7.906 3.023 1.00 0.00 H new ATOM 0 HH21 ARG B 235 15.458 -9.960 0.497 1.00 0.00 H new ATOM 0 HH22 ARG B 235 16.887 -9.544 1.450 1.00 0.00 H new ATOM 1360 N LYS B 236 12.391 -5.210 7.254 1.00 0.00 N ATOM 1361 CA LYS B 236 11.820 -4.999 8.580 1.00 0.00 C ATOM 1362 C LYS B 236 10.543 -4.170 8.456 1.00 0.00 C ATOM 1363 O LYS B 236 9.548 -4.435 9.131 1.00 0.00 O ATOM 1364 CB LYS B 236 12.829 -4.297 9.495 1.00 0.00 C ATOM 1365 CG LYS B 236 12.401 -4.252 10.951 1.00 0.00 C ATOM 1366 CD LYS B 236 12.712 -5.558 11.671 1.00 0.00 C ATOM 1367 CE LYS B 236 12.207 -5.542 13.106 1.00 0.00 C ATOM 1368 NZ LYS B 236 11.972 -6.921 13.625 1.00 0.00 N ATOM 0 H LYS B 236 13.379 -4.969 7.175 1.00 0.00 H new ATOM 0 HA LYS B 236 11.579 -5.965 9.023 1.00 0.00 H new ATOM 0 HB2 LYS B 236 13.789 -4.808 9.423 1.00 0.00 H new ATOM 0 HB3 LYS B 236 12.983 -3.278 9.139 1.00 0.00 H new ATOM 0 HG2 LYS B 236 12.909 -3.429 11.454 1.00 0.00 H new ATOM 0 HG3 LYS B 236 11.332 -4.050 11.010 1.00 0.00 H new ATOM 0 HD2 LYS B 236 12.254 -6.388 11.133 1.00 0.00 H new ATOM 0 HD3 LYS B 236 13.788 -5.729 11.666 1.00 0.00 H new ATOM 0 HE2 LYS B 236 12.932 -5.033 13.741 1.00 0.00 H new ATOM 0 HE3 LYS B 236 11.280 -4.971 13.159 1.00 0.00 H new ATOM 0 HZ1 LYS B 236 11.581 -6.868 14.587 1.00 0.00 H new ATOM 0 HZ2 LYS B 236 11.300 -7.416 13.004 1.00 0.00 H new ATOM 0 HZ3 LYS B 236 12.872 -7.442 13.646 1.00 0.00 H new ATOM 1382 N LEU B 237 10.574 -3.188 7.549 1.00 0.00 N ATOM 1383 CA LEU B 237 9.415 -2.339 7.286 1.00 0.00 C ATOM 1384 C LEU B 237 8.188 -3.205 6.968 1.00 0.00 C ATOM 1385 O LEU B 237 7.069 -2.885 7.373 1.00 0.00 O ATOM 1386 CB LEU B 237 9.723 -1.380 6.122 1.00 0.00 C ATOM 1387 CG LEU B 237 9.391 0.097 6.372 1.00 0.00 C ATOM 1388 CD1 LEU B 237 8.109 0.247 7.176 1.00 0.00 C ATOM 1389 CD2 LEU B 237 10.543 0.787 7.083 1.00 0.00 C ATOM 0 H LEU B 237 11.394 -2.964 6.985 1.00 0.00 H new ATOM 0 HA LEU B 237 9.195 -1.747 8.174 1.00 0.00 H new ATOM 0 HB2 LEU B 237 10.783 -1.459 5.881 1.00 0.00 H new ATOM 0 HB3 LEU B 237 9.170 -1.714 5.244 1.00 0.00 H new ATOM 0 HG LEU B 237 9.238 0.573 5.403 1.00 0.00 H new ATOM 0 HD11 LEU B 237 7.902 1.305 7.336 1.00 0.00 H new ATOM 0 HD12 LEU B 237 7.282 -0.206 6.630 1.00 0.00 H new ATOM 0 HD13 LEU B 237 8.223 -0.250 8.139 1.00 0.00 H new ATOM 0 HD21 LEU B 237 10.291 1.834 7.253 1.00 0.00 H new ATOM 0 HD22 LEU B 237 10.725 0.298 8.040 1.00 0.00 H new ATOM 0 HD23 LEU B 237 11.440 0.725 6.467 1.00 0.00 H new ATOM 1420 N GLU B 239 7.557 -6.231 8.139 1.00 0.00 N ATOM 1421 CA GLU B 239 7.086 -6.788 9.409 1.00 0.00 C ATOM 1422 C GLU B 239 6.083 -5.841 10.080 1.00 0.00 C ATOM 1423 O GLU B 239 5.185 -6.279 10.804 1.00 0.00 O ATOM 1424 CB GLU B 239 8.276 -7.053 10.336 1.00 0.00 C ATOM 1425 CG GLU B 239 7.879 -7.381 11.770 1.00 0.00 C ATOM 1426 CD GLU B 239 8.886 -8.264 12.478 1.00 0.00 C ATOM 1427 OE1 GLU B 239 10.092 -7.929 12.460 1.00 0.00 O ATOM 1428 OE2 GLU B 239 8.471 -9.286 13.057 1.00 0.00 O ATOM 0 HA GLU B 239 6.577 -7.731 9.208 1.00 0.00 H new ATOM 0 HB2 GLU B 239 8.861 -7.880 9.933 1.00 0.00 H new ATOM 0 HB3 GLU B 239 8.924 -6.176 10.340 1.00 0.00 H new ATOM 0 HG2 GLU B 239 7.762 -6.453 12.330 1.00 0.00 H new ATOM 0 HG3 GLU B 239 6.908 -7.877 11.768 1.00 0.00 H new ATOM 1435 N ILE B 240 6.235 -4.539 9.816 1.00 0.00 N ATOM 1436 CA ILE B 240 5.343 -3.524 10.373 1.00 0.00 C ATOM 1437 C ILE B 240 3.907 -3.688 9.849 1.00 0.00 C ATOM 1438 O ILE B 240 2.953 -3.271 10.510 1.00 0.00 O ATOM 1439 CB ILE B 240 5.854 -2.098 10.053 1.00 0.00 C ATOM 1440 CG1 ILE B 240 7.288 -1.919 10.555 1.00 0.00 C ATOM 1441 CG2 ILE B 240 4.942 -1.046 10.673 1.00 0.00 C ATOM 1442 CD1 ILE B 240 7.807 -0.503 10.423 1.00 0.00 C ATOM 0 H ILE B 240 6.971 -4.165 9.217 1.00 0.00 H new ATOM 0 HA ILE B 240 5.336 -3.664 11.454 1.00 0.00 H new ATOM 0 HB ILE B 240 5.844 -1.967 8.971 1.00 0.00 H new ATOM 0 HG12 ILE B 240 7.337 -2.218 11.602 1.00 0.00 H new ATOM 0 HG13 ILE B 240 7.944 -2.590 10.001 1.00 0.00 H new ATOM 0 HG21 ILE B 240 5.320 -0.051 10.436 1.00 0.00 H new ATOM 0 HG22 ILE B 240 3.934 -1.156 10.273 1.00 0.00 H new ATOM 0 HG23 ILE B 240 4.919 -1.177 11.755 1.00 0.00 H new ATOM 0 HD11 ILE B 240 8.829 -0.454 10.799 1.00 0.00 H new ATOM 0 HD12 ILE B 240 7.791 -0.206 9.374 1.00 0.00 H new ATOM 0 HD13 ILE B 240 7.175 0.172 11.001 1.00 0.00 H new ATOM 1454 N ILE B 241 3.750 -4.308 8.672 1.00 0.00 N ATOM 1455 CA ILE B 241 2.422 -4.527 8.095 1.00 0.00 C ATOM 1456 C ILE B 241 1.861 -5.885 8.518 1.00 0.00 C ATOM 1457 O ILE B 241 1.927 -6.866 7.769 1.00 0.00 O ATOM 1458 CB ILE B 241 2.409 -4.444 6.546 1.00 0.00 C ATOM 1459 CG1 ILE B 241 3.514 -3.530 6.007 1.00 0.00 C ATOM 1460 CG2 ILE B 241 1.054 -3.949 6.068 1.00 0.00 C ATOM 1461 CD1 ILE B 241 3.394 -2.099 6.475 1.00 0.00 C ATOM 0 H ILE B 241 4.521 -4.663 8.106 1.00 0.00 H new ATOM 0 HA ILE B 241 1.797 -3.721 8.480 1.00 0.00 H new ATOM 0 HB ILE B 241 2.596 -5.447 6.163 1.00 0.00 H new ATOM 0 HG12 ILE B 241 4.483 -3.924 6.314 1.00 0.00 H new ATOM 0 HG13 ILE B 241 3.492 -3.551 4.917 1.00 0.00 H new ATOM 0 HG21 ILE B 241 1.051 -3.893 4.979 1.00 0.00 H new ATOM 0 HG22 ILE B 241 0.277 -4.639 6.398 1.00 0.00 H new ATOM 0 HG23 ILE B 241 0.861 -2.960 6.483 1.00 0.00 H new ATOM 0 HD11 ILE B 241 4.209 -1.509 6.055 1.00 0.00 H new ATOM 0 HD12 ILE B 241 2.440 -1.687 6.145 1.00 0.00 H new ATOM 0 HD13 ILE B 241 3.446 -2.067 7.563 1.00 0.00 H new