USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 878 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 62 MET CE :methyl 160:sc= -0.66 (180deg=-0.846) USER MOD Set 1.2: A 66 LYS NZ :NH3+ -168:sc= -1.79! (180deg=-1.78!) USER MOD Set 2.1: A 47 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 49 SER OG : rot 180:sc=-4.25e-05 USER MOD Set 3.1: A 21 ASN : amide:sc= -0.0712 K(o=-0.42,f=-3.5) USER MOD Set 3.2: A 71 MET CE :methyl -170:sc= -0.344 (180deg=-0.693) USER MOD Set 4.1: A 17 GLN : amide:sc= -0.929! C(o=-2.5!,f=-2.4!) USER MOD Set 4.2: A 74 ASN : amide:sc= -1.55! C(o=-2.5!,f=-2.4!) USER MOD Single : A 16 MET CE :methyl -150:sc= -2.37 (180deg=-6.03!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 22:sc= 0.0907 USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0123) USER MOD Single : A 29 ASN : amide:sc= -8.53! C(o=-8.5!,f=-18!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -113:sc= -1.07 (180deg=-3.18!) USER MOD Single : A 39 SER OG : rot -140:sc= -0.0448 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 75:sc= 1.1 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 179:sc= -0.398 (180deg=-0.4) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.0618 X(o=-0.062,f=0) USER MOD Single : A 72 MET CE :methyl -165:sc= 0 (180deg=-0.0196) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc=-0.00495 X(o=-0.005,f=-0.23) USER MOD Single : A 81 SER OG : rot -106:sc= 0.197 USER MOD Single : A 82 MET CE :methyl -174:sc= -1.63 (180deg=-1.68) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 137:sc= -0.141 (180deg=-1.2) USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 92 ASN : amide:sc= -0.364 K(o=-0.36,f=-0.98) USER MOD Single : A 94 CYS SG : rot 180:sc= -0.819 USER MOD Single : A 95 THR OG1 : rot -160:sc= -0.278! USER MOD Single : A 96 TYR OH : rot -140:sc= -0.116 USER MOD Single : A 97 ASN : amide:sc= -0.0559 X(o=-0.056,f=-0.056) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.0674 X(o=-0.067,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N PRO A 15 -8.949 17.474 1.756 1.00 0.00 N ATOM 196 CA PRO A 15 -9.571 16.147 1.799 1.00 0.00 C ATOM 197 C PRO A 15 -8.691 15.074 1.165 1.00 0.00 C ATOM 198 O PRO A 15 -9.033 13.892 1.176 1.00 0.00 O ATOM 199 CB PRO A 15 -10.857 16.331 0.990 1.00 0.00 C ATOM 200 CG PRO A 15 -10.567 17.468 0.072 1.00 0.00 C ATOM 201 CD PRO A 15 -9.638 18.381 0.823 1.00 0.00 C ATOM 0 HA PRO A 15 -9.740 15.809 2.821 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -11.108 15.427 0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.705 16.552 1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.106 17.116 -0.851 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.484 17.988 -0.207 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.936 18.879 0.154 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -10.183 19.163 1.352 1.00 0.00 H new ATOM 209 N MET A 16 -7.558 15.495 0.613 1.00 0.00 N ATOM 210 CA MET A 16 -6.629 14.569 -0.025 1.00 0.00 C ATOM 211 C MET A 16 -5.749 13.881 1.014 1.00 0.00 C ATOM 212 O MET A 16 -5.481 12.684 0.917 1.00 0.00 O ATOM 213 CB MET A 16 -5.756 15.308 -1.041 1.00 0.00 C ATOM 214 CG MET A 16 -6.351 15.345 -2.439 1.00 0.00 C ATOM 215 SD MET A 16 -6.305 13.738 -3.256 1.00 0.00 S ATOM 216 CE MET A 16 -4.622 13.231 -2.911 1.00 0.00 C ATOM 0 H MET A 16 -7.261 16.471 0.594 1.00 0.00 H new ATOM 0 HA MET A 16 -7.212 13.808 -0.544 1.00 0.00 H new ATOM 0 HB2 MET A 16 -5.596 16.329 -0.696 1.00 0.00 H new ATOM 0 HB3 MET A 16 -4.778 14.829 -1.084 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.384 15.689 -2.381 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.806 16.071 -3.043 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.261 12.594 -3.719 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.986 14.112 -2.832 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.594 12.677 -1.972 1.00 0.00 H new ATOM 226 N GLN A 17 -5.304 14.645 2.006 1.00 0.00 N ATOM 227 CA GLN A 17 -4.453 14.107 3.061 1.00 0.00 C ATOM 228 C GLN A 17 -5.166 12.992 3.819 1.00 0.00 C ATOM 229 O GLN A 17 -4.532 12.051 4.296 1.00 0.00 O ATOM 230 CB GLN A 17 -4.043 15.218 4.030 1.00 0.00 C ATOM 231 CG GLN A 17 -2.700 14.976 4.700 1.00 0.00 C ATOM 232 CD GLN A 17 -1.539 15.519 3.891 1.00 0.00 C ATOM 233 OE1 GLN A 17 -1.590 15.562 2.661 1.00 0.00 O ATOM 234 NE2 GLN A 17 -0.483 15.938 4.578 1.00 0.00 N ATOM 0 H GLN A 17 -5.518 15.638 2.101 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.559 13.691 2.596 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.005 16.164 3.490 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.810 15.320 4.798 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.701 15.442 5.686 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.562 13.906 4.853 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.483 15.884 5.597 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.328 16.314 4.087 1.00 0.00 H new ATOM 243 N GLN A 18 -6.486 13.105 3.926 1.00 0.00 N ATOM 244 CA GLN A 18 -7.283 12.106 4.627 1.00 0.00 C ATOM 245 C GLN A 18 -7.576 10.912 3.725 1.00 0.00 C ATOM 246 O GLN A 18 -7.620 9.770 4.183 1.00 0.00 O ATOM 247 CB GLN A 18 -8.594 12.723 5.119 1.00 0.00 C ATOM 248 CG GLN A 18 -8.398 13.925 6.028 1.00 0.00 C ATOM 249 CD GLN A 18 -9.677 14.344 6.725 1.00 0.00 C ATOM 250 OE1 GLN A 18 -10.586 14.893 6.101 1.00 0.00 O ATOM 251 NE2 GLN A 18 -9.756 14.088 8.025 1.00 0.00 N ATOM 0 H GLN A 18 -7.026 13.878 3.536 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.709 11.757 5.485 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.190 13.023 4.257 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.165 11.964 5.653 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.641 13.690 6.776 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.018 14.761 5.441 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.979 13.631 8.503 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.593 14.348 8.546 1.00 0.00 H new ATOM 260 N LYS A 19 -7.775 11.183 2.440 1.00 0.00 N ATOM 261 CA LYS A 19 -8.062 10.131 1.471 1.00 0.00 C ATOM 262 C LYS A 19 -6.961 9.076 1.471 1.00 0.00 C ATOM 263 O LYS A 19 -7.123 7.995 0.902 1.00 0.00 O ATOM 264 CB LYS A 19 -8.213 10.727 0.070 1.00 0.00 C ATOM 265 CG LYS A 19 -9.637 11.131 -0.269 1.00 0.00 C ATOM 266 CD LYS A 19 -9.922 10.977 -1.754 1.00 0.00 C ATOM 267 CE LYS A 19 -11.387 10.660 -2.011 1.00 0.00 C ATOM 268 NZ LYS A 19 -11.779 10.949 -3.418 1.00 0.00 N ATOM 0 H LYS A 19 -7.743 12.123 2.045 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.998 9.653 1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.566 11.600 -0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.866 10.000 -0.664 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.335 10.519 0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.803 12.166 0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.651 11.895 -2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.299 10.182 -2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.575 9.609 -1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.009 11.245 -1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.784 10.720 -3.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.624 11.957 -3.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.203 10.372 -4.064 1.00 0.00 H new ATOM 282 N LEU A 20 -5.842 9.395 2.112 1.00 0.00 N ATOM 283 CA LEU A 20 -4.714 8.473 2.187 1.00 0.00 C ATOM 284 C LEU A 20 -4.888 7.493 3.342 1.00 0.00 C ATOM 285 O LEU A 20 -4.594 6.305 3.211 1.00 0.00 O ATOM 286 CB LEU A 20 -3.406 9.249 2.354 1.00 0.00 C ATOM 287 CG LEU A 20 -2.797 9.821 1.073 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.802 10.924 1.401 1.00 0.00 C ATOM 289 CD2 LEU A 20 -2.126 8.720 0.264 1.00 0.00 C ATOM 0 H LEU A 20 -5.692 10.285 2.587 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.677 7.906 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.581 10.071 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.673 8.590 2.818 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.599 10.250 0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.379 11.319 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.310 11.724 1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.003 10.520 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.698 9.145 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.335 8.262 0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.864 7.963 -0.002 1.00 0.00 H new ATOM 301 N ASN A 21 -5.369 7.998 4.473 1.00 0.00 N ATOM 302 CA ASN A 21 -5.584 7.166 5.652 1.00 0.00 C ATOM 303 C ASN A 21 -6.903 6.407 5.549 1.00 0.00 C ATOM 304 O ASN A 21 -7.151 5.469 6.305 1.00 0.00 O ATOM 305 CB ASN A 21 -5.574 8.026 6.917 1.00 0.00 C ATOM 306 CG ASN A 21 -5.344 7.206 8.172 1.00 0.00 C ATOM 307 OD1 ASN A 21 -4.630 6.203 8.149 1.00 0.00 O ATOM 308 ND2 ASN A 21 -5.950 7.629 9.275 1.00 0.00 N ATOM 0 H ASN A 21 -5.617 8.979 4.598 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.772 6.441 5.708 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.794 8.783 6.833 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.523 8.555 7.001 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.833 7.117 10.150 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.533 8.466 9.248 1.00 0.00 H new ATOM 315 N GLU A 22 -7.746 6.821 4.607 1.00 0.00 N ATOM 316 CA GLU A 22 -9.040 6.180 4.406 1.00 0.00 C ATOM 317 C GLU A 22 -8.908 4.963 3.493 1.00 0.00 C ATOM 318 O GLU A 22 -9.442 3.893 3.786 1.00 0.00 O ATOM 319 CB GLU A 22 -10.039 7.173 3.808 1.00 0.00 C ATOM 320 CG GLU A 22 -9.969 7.270 2.294 1.00 0.00 C ATOM 321 CD GLU A 22 -11.062 8.148 1.714 1.00 0.00 C ATOM 322 OE1 GLU A 22 -11.458 9.123 2.386 1.00 0.00 O ATOM 323 OE2 GLU A 22 -11.520 7.859 0.589 1.00 0.00 O ATOM 0 H GLU A 22 -7.556 7.596 3.972 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.407 5.847 5.377 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.048 6.880 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.858 8.159 4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.996 7.668 2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.045 6.271 1.866 1.00 0.00 H new ATOM 330 N VAL A 23 -8.194 5.136 2.386 1.00 0.00 N ATOM 331 CA VAL A 23 -7.991 4.054 1.430 1.00 0.00 C ATOM 332 C VAL A 23 -7.105 2.961 2.018 1.00 0.00 C ATOM 333 O VAL A 23 -7.201 1.795 1.632 1.00 0.00 O ATOM 334 CB VAL A 23 -7.356 4.569 0.125 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.950 3.405 -0.767 1.00 0.00 C ATOM 336 CG2 VAL A 23 -8.313 5.500 -0.602 1.00 0.00 C ATOM 0 H VAL A 23 -7.746 6.016 2.129 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.974 3.640 1.207 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.458 5.133 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.503 3.788 -1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.226 2.781 -0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.830 2.811 -1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.848 5.854 -1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.230 4.963 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.548 6.351 0.037 1.00 0.00 H new ATOM 346 N TYR A 24 -6.243 3.345 2.952 1.00 0.00 N ATOM 347 CA TYR A 24 -5.337 2.398 3.592 1.00 0.00 C ATOM 348 C TYR A 24 -6.103 1.441 4.500 1.00 0.00 C ATOM 349 O TYR A 24 -5.886 0.230 4.466 1.00 0.00 O ATOM 350 CB TYR A 24 -4.274 3.144 4.400 1.00 0.00 C ATOM 351 CG TYR A 24 -3.362 2.231 5.189 1.00 0.00 C ATOM 352 CD1 TYR A 24 -2.230 1.675 4.606 1.00 0.00 C ATOM 353 CD2 TYR A 24 -3.633 1.925 6.517 1.00 0.00 C ATOM 354 CE1 TYR A 24 -1.395 0.840 5.323 1.00 0.00 C ATOM 355 CE2 TYR A 24 -2.803 1.092 7.241 1.00 0.00 C ATOM 356 CZ TYR A 24 -1.685 0.552 6.640 1.00 0.00 C ATOM 357 OH TYR A 24 -0.856 -0.279 7.358 1.00 0.00 O ATOM 0 H TYR A 24 -6.152 4.305 3.283 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.848 1.816 2.811 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.671 3.748 3.722 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.768 3.832 5.086 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.999 1.899 3.575 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.507 2.346 6.991 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -0.520 0.415 4.854 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.028 0.864 8.272 1.00 0.00 H new ATOM 0 HH TYR A 24 0.030 -0.298 6.940 1.00 0.00 H new ATOM 367 N GLU A 25 -7.000 1.994 5.311 1.00 0.00 N ATOM 368 CA GLU A 25 -7.798 1.189 6.228 1.00 0.00 C ATOM 369 C GLU A 25 -8.863 0.398 5.473 1.00 0.00 C ATOM 370 O GLU A 25 -9.064 -0.789 5.725 1.00 0.00 O ATOM 371 CB GLU A 25 -8.461 2.081 7.280 1.00 0.00 C ATOM 372 CG GLU A 25 -7.470 2.779 8.197 1.00 0.00 C ATOM 373 CD GLU A 25 -8.152 3.608 9.269 1.00 0.00 C ATOM 374 OE1 GLU A 25 -9.192 3.160 9.794 1.00 0.00 O ATOM 375 OE2 GLU A 25 -7.643 4.706 9.581 1.00 0.00 O ATOM 0 H GLU A 25 -7.192 2.995 5.351 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.132 0.485 6.726 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.069 2.833 6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.138 1.476 7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.831 2.033 8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.822 3.423 7.603 1.00 0.00 H new ATOM 382 N ALA A 26 -9.542 1.066 4.547 1.00 0.00 N ATOM 383 CA ALA A 26 -10.584 0.427 3.754 1.00 0.00 C ATOM 384 C ALA A 26 -10.125 -0.933 3.237 1.00 0.00 C ATOM 385 O ALA A 26 -10.938 -1.830 3.014 1.00 0.00 O ATOM 386 CB ALA A 26 -10.991 1.324 2.594 1.00 0.00 C ATOM 0 H ALA A 26 -9.389 2.050 4.327 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.449 0.269 4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.770 0.833 2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.369 2.270 2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.126 1.512 1.958 1.00 0.00 H new ATOM 392 N VAL A 27 -8.817 -1.078 3.050 1.00 0.00 N ATOM 393 CA VAL A 27 -8.249 -2.329 2.560 1.00 0.00 C ATOM 394 C VAL A 27 -7.901 -3.263 3.713 1.00 0.00 C ATOM 395 O VAL A 27 -8.009 -4.484 3.593 1.00 0.00 O ATOM 396 CB VAL A 27 -6.985 -2.079 1.716 1.00 0.00 C ATOM 397 CG1 VAL A 27 -6.266 -3.388 1.431 1.00 0.00 C ATOM 398 CG2 VAL A 27 -7.343 -1.365 0.421 1.00 0.00 C ATOM 0 H VAL A 27 -8.131 -0.345 3.230 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.008 -2.797 1.933 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.310 -1.438 2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.376 -3.192 0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.976 -3.856 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.930 -4.056 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.439 -1.196 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.037 -1.979 -0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.811 -0.408 0.651 1.00 0.00 H new ATOM 408 N LYS A 28 -7.482 -2.682 4.832 1.00 0.00 N ATOM 409 CA LYS A 28 -7.118 -3.461 6.010 1.00 0.00 C ATOM 410 C LYS A 28 -8.358 -4.049 6.677 1.00 0.00 C ATOM 411 O LYS A 28 -8.440 -5.255 6.901 1.00 0.00 O ATOM 412 CB LYS A 28 -6.354 -2.588 7.008 1.00 0.00 C ATOM 413 CG LYS A 28 -5.769 -3.367 8.173 1.00 0.00 C ATOM 414 CD LYS A 28 -4.681 -2.578 8.881 1.00 0.00 C ATOM 415 CE LYS A 28 -4.336 -3.191 10.230 1.00 0.00 C ATOM 416 NZ LYS A 28 -5.361 -2.872 11.262 1.00 0.00 N ATOM 0 H LYS A 28 -7.386 -1.673 4.948 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.476 -4.281 5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.548 -2.073 6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.025 -1.821 7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.560 -3.613 8.881 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.359 -4.310 7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.789 -2.545 8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.010 -1.548 9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.250 -4.273 10.126 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.364 -2.824 10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.041 -3.220 12.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.499 -1.842 11.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.260 -3.331 11.012 1.00 0.00 H new ATOM 430 N ASN A 29 -9.320 -3.187 6.991 1.00 0.00 N ATOM 431 CA ASN A 29 -10.555 -3.622 7.632 1.00 0.00 C ATOM 432 C ASN A 29 -11.289 -4.641 6.766 1.00 0.00 C ATOM 433 O ASN A 29 -11.876 -5.596 7.275 1.00 0.00 O ATOM 434 CB ASN A 29 -11.463 -2.421 7.904 1.00 0.00 C ATOM 435 CG ASN A 29 -11.295 -1.323 6.871 1.00 0.00 C ATOM 436 OD1 ASN A 29 -11.500 -1.543 5.677 1.00 0.00 O ATOM 437 ND2 ASN A 29 -10.921 -0.134 7.327 1.00 0.00 N ATOM 0 H ASN A 29 -9.268 -2.184 6.812 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.295 -4.096 8.579 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.502 -2.750 7.915 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.245 -2.021 8.894 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.792 0.643 6.679 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -10.762 0.003 8.325 1.00 0.00 H new ATOM 444 N TYR A 30 -11.248 -4.432 5.454 1.00 0.00 N ATOM 445 CA TYR A 30 -11.910 -5.332 4.517 1.00 0.00 C ATOM 446 C TYR A 30 -11.848 -6.774 5.009 1.00 0.00 C ATOM 447 O TYR A 30 -10.826 -7.222 5.531 1.00 0.00 O ATOM 448 CB TYR A 30 -11.265 -5.225 3.134 1.00 0.00 C ATOM 449 CG TYR A 30 -12.068 -5.889 2.038 1.00 0.00 C ATOM 450 CD1 TYR A 30 -11.948 -7.250 1.789 1.00 0.00 C ATOM 451 CD2 TYR A 30 -12.947 -5.154 1.251 1.00 0.00 C ATOM 452 CE1 TYR A 30 -12.679 -7.861 0.789 1.00 0.00 C ATOM 453 CE2 TYR A 30 -13.683 -5.757 0.250 1.00 0.00 C ATOM 454 CZ TYR A 30 -13.546 -7.110 0.022 1.00 0.00 C ATOM 455 OH TYR A 30 -14.276 -7.714 -0.975 1.00 0.00 O ATOM 0 H TYR A 30 -10.764 -3.648 5.016 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.957 -5.037 4.447 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.129 -4.172 2.886 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.273 -5.675 3.169 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -11.271 -7.841 2.388 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -13.056 -4.094 1.425 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.573 -8.920 0.608 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -14.363 -5.172 -0.351 1.00 0.00 H new ATOM 0 HH TYR A 30 -14.838 -7.046 -1.419 1.00 0.00 H new ATOM 465 N THR A 31 -12.949 -7.499 4.838 1.00 0.00 N ATOM 466 CA THR A 31 -13.022 -8.891 5.265 1.00 0.00 C ATOM 467 C THR A 31 -13.805 -9.733 4.264 1.00 0.00 C ATOM 468 O THR A 31 -14.643 -9.216 3.524 1.00 0.00 O ATOM 469 CB THR A 31 -13.680 -9.020 6.652 1.00 0.00 C ATOM 470 OG1 THR A 31 -14.793 -8.125 6.751 1.00 0.00 O ATOM 471 CG2 THR A 31 -12.679 -8.716 7.756 1.00 0.00 C ATOM 0 H THR A 31 -13.803 -7.145 4.407 1.00 0.00 H new ATOM 0 HA THR A 31 -11.997 -9.258 5.322 1.00 0.00 H new ATOM 0 HB THR A 31 -14.028 -10.046 6.771 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.207 -8.214 7.635 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.166 -8.813 8.726 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.847 -9.417 7.696 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.305 -7.699 7.638 1.00 0.00 H new ATOM 479 N ASP A 32 -13.527 -11.032 4.245 1.00 0.00 N ATOM 480 CA ASP A 32 -14.206 -11.946 3.335 1.00 0.00 C ATOM 481 C ASP A 32 -15.673 -12.109 3.723 1.00 0.00 C ATOM 482 O ASP A 32 -16.163 -11.440 4.633 1.00 0.00 O ATOM 483 CB ASP A 32 -13.512 -13.309 3.333 1.00 0.00 C ATOM 484 CG ASP A 32 -13.651 -14.028 2.006 1.00 0.00 C ATOM 485 OD1 ASP A 32 -13.387 -13.400 0.960 1.00 0.00 O ATOM 486 OD2 ASP A 32 -14.024 -15.220 2.015 1.00 0.00 O ATOM 0 H ASP A 32 -12.836 -11.475 4.850 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.158 -11.522 2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.455 -13.175 3.561 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.933 -13.929 4.125 1.00 0.00 H new ATOM 491 N LYS A 33 -16.368 -13.001 3.026 1.00 0.00 N ATOM 492 CA LYS A 33 -17.779 -13.253 3.297 1.00 0.00 C ATOM 493 C LYS A 33 -17.960 -13.933 4.650 1.00 0.00 C ATOM 494 O LYS A 33 -19.084 -14.183 5.084 1.00 0.00 O ATOM 495 CB LYS A 33 -18.384 -14.122 2.192 1.00 0.00 C ATOM 496 CG LYS A 33 -18.417 -13.443 0.834 1.00 0.00 C ATOM 497 CD LYS A 33 -18.633 -14.447 -0.286 1.00 0.00 C ATOM 498 CE LYS A 33 -17.371 -15.248 -0.568 1.00 0.00 C ATOM 499 NZ LYS A 33 -17.285 -16.466 0.285 1.00 0.00 N ATOM 0 H LYS A 33 -15.977 -13.562 2.269 1.00 0.00 H new ATOM 0 HA LYS A 33 -18.296 -12.294 3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -17.811 -15.046 2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -19.399 -14.400 2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -19.215 -12.700 0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.481 -12.909 0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -19.443 -15.125 -0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.943 -13.924 -1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.352 -15.538 -1.618 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -16.496 -14.621 -0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -16.491 -16.369 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -18.171 -16.580 0.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -17.133 -17.301 -0.316 1.00 0.00 H new ATOM 513 N ARG A 34 -16.846 -14.229 5.312 1.00 0.00 N ATOM 514 CA ARG A 34 -16.883 -14.880 6.616 1.00 0.00 C ATOM 515 C ARG A 34 -16.588 -13.881 7.731 1.00 0.00 C ATOM 516 O ARG A 34 -17.255 -13.875 8.765 1.00 0.00 O ATOM 517 CB ARG A 34 -15.873 -16.028 6.665 1.00 0.00 C ATOM 518 CG ARG A 34 -16.239 -17.201 5.771 1.00 0.00 C ATOM 519 CD ARG A 34 -15.092 -18.192 5.653 1.00 0.00 C ATOM 520 NE ARG A 34 -15.266 -19.098 4.521 1.00 0.00 N ATOM 521 CZ ARG A 34 -14.418 -20.078 4.227 1.00 0.00 C ATOM 522 NH1 ARG A 34 -13.343 -20.276 4.978 1.00 0.00 N ATOM 523 NH2 ARG A 34 -14.645 -20.862 3.181 1.00 0.00 N ATOM 0 H ARG A 34 -15.907 -14.028 4.967 1.00 0.00 H new ATOM 0 HA ARG A 34 -17.886 -15.280 6.766 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -14.893 -15.651 6.372 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.785 -16.379 7.693 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -17.117 -17.706 6.173 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -16.508 -16.835 4.780 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.154 -17.649 5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.018 -18.772 6.573 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.083 -18.972 3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.166 -19.675 5.783 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.694 -21.029 4.750 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.471 -20.713 2.602 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.993 -21.614 2.956 1.00 0.00 H new ATOM 537 N GLY A 35 -15.584 -13.037 7.513 1.00 0.00 N ATOM 538 CA GLY A 35 -15.218 -12.046 8.508 1.00 0.00 C ATOM 539 C GLY A 35 -13.725 -12.008 8.766 1.00 0.00 C ATOM 540 O GLY A 35 -13.259 -11.281 9.644 1.00 0.00 O ATOM 0 H GLY A 35 -15.018 -13.022 6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.552 -11.063 8.177 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -15.739 -12.262 9.440 1.00 0.00 H new ATOM 544 N ARG A 36 -12.973 -12.793 8.002 1.00 0.00 N ATOM 545 CA ARG A 36 -11.524 -12.848 8.155 1.00 0.00 C ATOM 546 C ARG A 36 -10.841 -11.860 7.213 1.00 0.00 C ATOM 547 O ARG A 36 -10.857 -12.036 5.995 1.00 0.00 O ATOM 548 CB ARG A 36 -11.015 -14.264 7.883 1.00 0.00 C ATOM 549 CG ARG A 36 -11.037 -15.165 9.107 1.00 0.00 C ATOM 550 CD ARG A 36 -11.229 -16.623 8.722 1.00 0.00 C ATOM 551 NE ARG A 36 -10.103 -17.137 7.947 1.00 0.00 N ATOM 552 CZ ARG A 36 -9.918 -18.427 7.687 1.00 0.00 C ATOM 553 NH1 ARG A 36 -10.779 -19.328 8.138 1.00 0.00 N ATOM 554 NH2 ARG A 36 -8.869 -18.817 6.974 1.00 0.00 N ATOM 0 H ARG A 36 -13.343 -13.400 7.271 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.281 -12.573 9.181 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.623 -14.715 7.099 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.995 -14.207 7.502 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.104 -15.053 9.659 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.841 -14.855 9.774 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.352 -17.223 9.624 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.146 -16.727 8.142 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.422 -16.470 7.586 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.587 -19.032 8.686 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.634 -20.317 7.937 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.204 -18.126 6.625 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.727 -19.807 6.775 1.00 0.00 H new ATOM 568 N ARG A 37 -10.241 -10.822 7.787 1.00 0.00 N ATOM 569 CA ARG A 37 -9.554 -9.806 6.999 1.00 0.00 C ATOM 570 C ARG A 37 -8.390 -10.415 6.223 1.00 0.00 C ATOM 571 O ARG A 37 -7.523 -11.073 6.799 1.00 0.00 O ATOM 572 CB ARG A 37 -9.044 -8.685 7.907 1.00 0.00 C ATOM 573 CG ARG A 37 -7.967 -9.132 8.881 1.00 0.00 C ATOM 574 CD ARG A 37 -7.651 -8.048 9.899 1.00 0.00 C ATOM 575 NE ARG A 37 -8.664 -7.970 10.948 1.00 0.00 N ATOM 576 CZ ARG A 37 -8.846 -6.902 11.717 1.00 0.00 C ATOM 577 NH1 ARG A 37 -8.086 -5.828 11.554 1.00 0.00 N ATOM 578 NH2 ARG A 37 -9.789 -6.908 12.650 1.00 0.00 N ATOM 0 H ARG A 37 -10.217 -10.663 8.794 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.267 -9.392 6.286 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.650 -7.879 7.288 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.883 -8.275 8.469 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.294 -10.034 9.398 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.062 -9.391 8.331 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.678 -8.246 10.349 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.579 -7.085 9.393 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.265 -8.780 11.099 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.360 -5.821 10.837 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.227 -5.009 12.145 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.375 -7.733 12.777 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.928 -6.088 13.240 1.00 0.00 H new ATOM 592 N LEU A 38 -8.378 -10.192 4.913 1.00 0.00 N ATOM 593 CA LEU A 38 -7.321 -10.719 4.057 1.00 0.00 C ATOM 594 C LEU A 38 -5.962 -10.158 4.461 1.00 0.00 C ATOM 595 O LEU A 38 -4.937 -10.825 4.322 1.00 0.00 O ATOM 596 CB LEU A 38 -7.609 -10.384 2.593 1.00 0.00 C ATOM 597 CG LEU A 38 -9.084 -10.270 2.208 1.00 0.00 C ATOM 598 CD1 LEU A 38 -9.233 -10.121 0.702 1.00 0.00 C ATOM 599 CD2 LEU A 38 -9.860 -11.482 2.704 1.00 0.00 C ATOM 0 H LEU A 38 -9.088 -9.650 4.421 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.296 -11.802 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.118 -9.441 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.149 -11.150 1.969 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.495 -9.380 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.290 -10.041 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.711 -9.223 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.805 -10.992 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.908 -11.384 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.447 -12.386 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.782 -11.545 3.789 1.00 0.00 H new ATOM 611 N SER A 39 -5.961 -8.928 4.965 1.00 0.00 N ATOM 612 CA SER A 39 -4.728 -8.276 5.389 1.00 0.00 C ATOM 613 C SER A 39 -4.004 -9.113 6.439 1.00 0.00 C ATOM 614 O SER A 39 -2.787 -9.017 6.593 1.00 0.00 O ATOM 615 CB SER A 39 -5.028 -6.884 5.948 1.00 0.00 C ATOM 616 OG SER A 39 -5.346 -6.947 7.328 1.00 0.00 O ATOM 0 H SER A 39 -6.801 -8.363 5.090 1.00 0.00 H new ATOM 0 HA SER A 39 -4.080 -8.178 4.518 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.165 -6.235 5.800 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.859 -6.440 5.400 1.00 0.00 H new ATOM 0 HG SER A 39 -6.080 -6.327 7.523 1.00 0.00 H new ATOM 622 N ALA A 40 -4.762 -9.934 7.158 1.00 0.00 N ATOM 623 CA ALA A 40 -4.193 -10.790 8.191 1.00 0.00 C ATOM 624 C ALA A 40 -2.916 -11.466 7.704 1.00 0.00 C ATOM 625 O ALA A 40 -2.001 -11.722 8.487 1.00 0.00 O ATOM 626 CB ALA A 40 -5.210 -11.833 8.631 1.00 0.00 C ATOM 0 H ALA A 40 -5.772 -10.024 7.044 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.937 -10.164 9.046 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.772 -12.466 9.403 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.094 -11.334 9.029 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.494 -12.447 7.777 1.00 0.00 H new ATOM 632 N ILE A 41 -2.862 -11.752 6.407 1.00 0.00 N ATOM 633 CA ILE A 41 -1.697 -12.398 5.817 1.00 0.00 C ATOM 634 C ILE A 41 -0.648 -11.370 5.405 1.00 0.00 C ATOM 635 O ILE A 41 0.540 -11.681 5.315 1.00 0.00 O ATOM 636 CB ILE A 41 -2.083 -13.241 4.587 1.00 0.00 C ATOM 637 CG1 ILE A 41 -0.899 -14.100 4.138 1.00 0.00 C ATOM 638 CG2 ILE A 41 -2.551 -12.340 3.453 1.00 0.00 C ATOM 639 CD1 ILE A 41 -0.874 -15.473 4.772 1.00 0.00 C ATOM 0 H ILE A 41 -3.611 -11.546 5.746 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.280 -13.054 6.581 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.904 -13.903 4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.931 -14.210 3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.028 -13.580 4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.820 -12.950 2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.420 -11.768 3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.749 -11.656 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.008 -16.026 4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.811 -15.372 5.856 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.785 -16.011 4.510 1.00 0.00 H new ATOM 651 N PHE A 42 -1.095 -10.143 5.158 1.00 0.00 N ATOM 652 CA PHE A 42 -0.195 -9.068 4.757 1.00 0.00 C ATOM 653 C PHE A 42 -0.149 -7.973 5.819 1.00 0.00 C ATOM 654 O PHE A 42 -0.086 -6.785 5.500 1.00 0.00 O ATOM 655 CB PHE A 42 -0.639 -8.477 3.417 1.00 0.00 C ATOM 656 CG PHE A 42 -1.055 -9.513 2.413 1.00 0.00 C ATOM 657 CD1 PHE A 42 -0.172 -10.503 2.013 1.00 0.00 C ATOM 658 CD2 PHE A 42 -2.329 -9.497 1.869 1.00 0.00 C ATOM 659 CE1 PHE A 42 -0.553 -11.457 1.088 1.00 0.00 C ATOM 660 CE2 PHE A 42 -2.716 -10.449 0.945 1.00 0.00 C ATOM 661 CZ PHE A 42 -1.826 -11.431 0.554 1.00 0.00 C ATOM 0 H PHE A 42 -2.075 -9.869 5.228 1.00 0.00 H new ATOM 0 HA PHE A 42 0.806 -9.486 4.648 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.471 -7.794 3.588 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.178 -7.887 3.001 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.825 -10.530 2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.028 -8.731 2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.145 -12.223 0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.712 -10.425 0.529 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.125 -12.177 -0.168 1.00 0.00 H new ATOM 671 N LEU A 43 -0.182 -8.381 7.083 1.00 0.00 N ATOM 672 CA LEU A 43 -0.145 -7.436 8.193 1.00 0.00 C ATOM 673 C LEU A 43 1.290 -7.035 8.519 1.00 0.00 C ATOM 674 O LEU A 43 1.726 -5.931 8.192 1.00 0.00 O ATOM 675 CB LEU A 43 -0.809 -8.045 9.429 1.00 0.00 C ATOM 676 CG LEU A 43 -2.332 -7.928 9.499 1.00 0.00 C ATOM 677 CD1 LEU A 43 -2.841 -8.386 10.857 1.00 0.00 C ATOM 678 CD2 LEU A 43 -2.771 -6.499 9.217 1.00 0.00 C ATOM 0 H LEU A 43 -0.234 -9.360 7.364 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.694 -6.543 7.896 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.543 -9.101 9.476 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.387 -7.570 10.315 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.762 -8.576 8.735 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.927 -8.296 10.888 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.559 -9.426 11.019 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.403 -7.765 11.638 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.858 -6.435 9.271 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.331 -5.830 9.957 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.439 -6.206 8.221 1.00 0.00 H new ATOM 690 N ARG A 44 2.020 -7.940 9.163 1.00 0.00 N ATOM 691 CA ARG A 44 3.407 -7.681 9.532 1.00 0.00 C ATOM 692 C ARG A 44 4.365 -8.382 8.573 1.00 0.00 C ATOM 693 O ARG A 44 4.101 -9.497 8.120 1.00 0.00 O ATOM 694 CB ARG A 44 3.671 -8.146 10.965 1.00 0.00 C ATOM 695 CG ARG A 44 3.104 -7.214 12.022 1.00 0.00 C ATOM 696 CD ARG A 44 2.862 -7.942 13.335 1.00 0.00 C ATOM 697 NE ARG A 44 4.035 -7.905 14.205 1.00 0.00 N ATOM 698 CZ ARG A 44 4.095 -8.516 15.383 1.00 0.00 C ATOM 699 NH1 ARG A 44 3.055 -9.206 15.830 1.00 0.00 N ATOM 700 NH2 ARG A 44 5.197 -8.436 16.118 1.00 0.00 N ATOM 0 H ARG A 44 1.674 -8.859 9.440 1.00 0.00 H new ATOM 0 HA ARG A 44 3.579 -6.607 9.469 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.242 -9.139 11.101 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.747 -8.240 11.115 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.793 -6.386 12.186 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.168 -6.784 11.665 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.014 -7.489 13.850 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.594 -8.979 13.131 1.00 0.00 H new ATOM 0 HE ARG A 44 4.852 -7.382 13.891 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.205 -9.269 15.269 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.104 -9.674 16.735 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.999 -7.905 15.779 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.242 -8.906 17.022 1.00 0.00 H new ATOM 714 N LEU A 45 5.476 -7.722 8.267 1.00 0.00 N ATOM 715 CA LEU A 45 6.473 -8.281 7.361 1.00 0.00 C ATOM 716 C LEU A 45 7.656 -8.851 8.138 1.00 0.00 C ATOM 717 O LEU A 45 8.156 -8.246 9.087 1.00 0.00 O ATOM 718 CB LEU A 45 6.960 -7.211 6.382 1.00 0.00 C ATOM 719 CG LEU A 45 8.093 -7.625 5.443 1.00 0.00 C ATOM 720 CD1 LEU A 45 7.533 -8.238 4.169 1.00 0.00 C ATOM 721 CD2 LEU A 45 8.980 -6.432 5.118 1.00 0.00 C ATOM 0 H LEU A 45 5.709 -6.799 8.633 1.00 0.00 H new ATOM 0 HA LEU A 45 6.005 -9.091 6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.113 -6.889 5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.289 -6.345 6.956 1.00 0.00 H new ATOM 0 HG LEU A 45 8.700 -8.377 5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.354 -8.527 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.941 -9.119 4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.902 -7.509 3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.781 -6.746 4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.385 -5.657 4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.410 -6.037 6.038 1.00 0.00 H new ATOM 733 N PRO A 46 8.116 -10.042 7.727 1.00 0.00 N ATOM 734 CA PRO A 46 9.247 -10.718 8.369 1.00 0.00 C ATOM 735 C PRO A 46 10.571 -10.007 8.110 1.00 0.00 C ATOM 736 O PRO A 46 10.992 -9.859 6.963 1.00 0.00 O ATOM 737 CB PRO A 46 9.247 -12.104 7.719 1.00 0.00 C ATOM 738 CG PRO A 46 8.591 -11.902 6.397 1.00 0.00 C ATOM 739 CD PRO A 46 7.568 -10.820 6.603 1.00 0.00 C ATOM 0 HA PRO A 46 9.146 -10.741 9.454 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.261 -12.487 7.603 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.701 -12.826 8.326 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.320 -11.611 5.640 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.121 -12.822 6.050 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.447 -10.206 5.710 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.588 -11.234 6.841 1.00 0.00 H new ATOM 747 N SER A 47 11.223 -9.570 9.182 1.00 0.00 N ATOM 748 CA SER A 47 12.498 -8.872 9.070 1.00 0.00 C ATOM 749 C SER A 47 13.538 -9.747 8.378 1.00 0.00 C ATOM 750 O SER A 47 13.608 -10.953 8.617 1.00 0.00 O ATOM 751 CB SER A 47 13.001 -8.459 10.454 1.00 0.00 C ATOM 752 OG SER A 47 14.024 -7.484 10.355 1.00 0.00 O ATOM 0 H SER A 47 10.889 -9.687 10.139 1.00 0.00 H new ATOM 0 HA SER A 47 12.342 -7.978 8.467 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.173 -8.063 11.042 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.378 -9.334 10.983 1.00 0.00 H new ATOM 0 HG SER A 47 14.327 -7.236 11.253 1.00 0.00 H new ATOM 758 N ARG A 48 14.343 -9.132 7.518 1.00 0.00 N ATOM 759 CA ARG A 48 15.379 -9.854 6.790 1.00 0.00 C ATOM 760 C ARG A 48 16.041 -10.901 7.681 1.00 0.00 C ATOM 761 O ARG A 48 16.426 -11.974 7.216 1.00 0.00 O ATOM 762 CB ARG A 48 16.433 -8.881 6.260 1.00 0.00 C ATOM 763 CG ARG A 48 17.131 -8.085 7.350 1.00 0.00 C ATOM 764 CD ARG A 48 18.230 -7.202 6.780 1.00 0.00 C ATOM 765 NE ARG A 48 17.698 -5.972 6.200 1.00 0.00 N ATOM 766 CZ ARG A 48 18.458 -4.952 5.816 1.00 0.00 C ATOM 767 NH1 ARG A 48 19.775 -5.016 5.950 1.00 0.00 N ATOM 768 NH2 ARG A 48 17.900 -3.866 5.296 1.00 0.00 N ATOM 0 H ARG A 48 14.298 -8.135 7.308 1.00 0.00 H new ATOM 0 HA ARG A 48 14.908 -10.363 5.949 1.00 0.00 H new ATOM 0 HB2 ARG A 48 17.180 -9.440 5.695 1.00 0.00 H new ATOM 0 HB3 ARG A 48 15.959 -8.189 5.564 1.00 0.00 H new ATOM 0 HG2 ARG A 48 16.402 -7.467 7.874 1.00 0.00 H new ATOM 0 HG3 ARG A 48 17.557 -8.768 8.085 1.00 0.00 H new ATOM 0 HD2 ARG A 48 18.941 -6.953 7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 48 18.780 -7.754 6.018 1.00 0.00 H new ATOM 0 HE ARG A 48 16.688 -5.891 6.083 1.00 0.00 H new ATOM 0 HH11 ARG A 48 20.207 -5.850 6.349 1.00 0.00 H new ATOM 0 HH12 ARG A 48 20.356 -4.232 5.654 1.00 0.00 H new ATOM 0 HH21 ARG A 48 16.887 -3.814 5.191 1.00 0.00 H new ATOM 0 HH22 ARG A 48 18.484 -3.084 5.002 1.00 0.00 H new ATOM 782 N SER A 49 16.170 -10.581 8.965 1.00 0.00 N ATOM 783 CA SER A 49 16.789 -11.492 9.921 1.00 0.00 C ATOM 784 C SER A 49 15.993 -12.789 10.030 1.00 0.00 C ATOM 785 O SER A 49 16.558 -13.881 9.993 1.00 0.00 O ATOM 786 CB SER A 49 16.895 -10.828 11.295 1.00 0.00 C ATOM 787 OG SER A 49 15.631 -10.364 11.736 1.00 0.00 O ATOM 0 H SER A 49 15.854 -9.698 9.367 1.00 0.00 H new ATOM 0 HA SER A 49 17.790 -11.730 9.562 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.296 -11.540 12.016 1.00 0.00 H new ATOM 0 HB3 SER A 49 17.595 -9.994 11.246 1.00 0.00 H new ATOM 0 HG SER A 49 15.725 -9.945 12.617 1.00 0.00 H new ATOM 793 N GLU A 50 14.677 -12.658 10.165 1.00 0.00 N ATOM 794 CA GLU A 50 13.803 -13.819 10.281 1.00 0.00 C ATOM 795 C GLU A 50 13.669 -14.536 8.940 1.00 0.00 C ATOM 796 O GLU A 50 13.789 -15.759 8.862 1.00 0.00 O ATOM 797 CB GLU A 50 12.421 -13.397 10.786 1.00 0.00 C ATOM 798 CG GLU A 50 12.430 -12.864 12.208 1.00 0.00 C ATOM 799 CD GLU A 50 11.095 -13.041 12.906 1.00 0.00 C ATOM 800 OE1 GLU A 50 10.488 -14.122 12.759 1.00 0.00 O ATOM 801 OE2 GLU A 50 10.658 -12.098 13.599 1.00 0.00 O ATOM 0 H GLU A 50 14.193 -11.760 10.197 1.00 0.00 H new ATOM 0 HA GLU A 50 14.250 -14.507 10.999 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.019 -12.631 10.122 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.747 -14.252 10.732 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.205 -13.376 12.779 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.691 -11.806 12.194 1.00 0.00 H new ATOM 808 N LEU A 51 13.420 -13.765 7.887 1.00 0.00 N ATOM 809 CA LEU A 51 13.270 -14.325 6.548 1.00 0.00 C ATOM 810 C LEU A 51 14.175 -13.606 5.553 1.00 0.00 C ATOM 811 O LEU A 51 13.757 -12.688 4.848 1.00 0.00 O ATOM 812 CB LEU A 51 11.812 -14.226 6.094 1.00 0.00 C ATOM 813 CG LEU A 51 11.334 -15.316 5.133 1.00 0.00 C ATOM 814 CD1 LEU A 51 11.670 -16.695 5.680 1.00 0.00 C ATOM 815 CD2 LEU A 51 9.838 -15.188 4.885 1.00 0.00 C ATOM 0 H LEU A 51 13.318 -12.751 7.934 1.00 0.00 H new ATOM 0 HA LEU A 51 13.563 -15.374 6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.175 -14.244 6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.666 -13.258 5.615 1.00 0.00 H new ATOM 0 HG LEU A 51 11.852 -15.189 4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.322 -17.458 4.983 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.749 -16.783 5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.180 -16.834 6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.515 -15.971 4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.303 -15.289 5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.624 -14.212 4.449 1.00 0.00 H new ATOM 827 N PRO A 52 15.444 -14.035 5.490 1.00 0.00 N ATOM 828 CA PRO A 52 16.434 -13.448 4.583 1.00 0.00 C ATOM 829 C PRO A 52 16.148 -13.778 3.122 1.00 0.00 C ATOM 830 O PRO A 52 16.569 -13.055 2.218 1.00 0.00 O ATOM 831 CB PRO A 52 17.750 -14.091 5.028 1.00 0.00 C ATOM 832 CG PRO A 52 17.347 -15.379 5.660 1.00 0.00 C ATOM 833 CD PRO A 52 16.011 -15.125 6.302 1.00 0.00 C ATOM 0 HA PRO A 52 16.438 -12.359 4.634 1.00 0.00 H new ATOM 0 HB2 PRO A 52 18.416 -14.257 4.181 1.00 0.00 H new ATOM 0 HB3 PRO A 52 18.284 -13.454 5.733 1.00 0.00 H new ATOM 0 HG2 PRO A 52 17.278 -16.174 4.917 1.00 0.00 H new ATOM 0 HG3 PRO A 52 18.081 -15.697 6.400 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.379 -16.013 6.280 1.00 0.00 H new ATOM 0 HD3 PRO A 52 16.116 -14.835 7.347 1.00 0.00 H new ATOM 841 N ASP A 53 15.431 -14.873 2.897 1.00 0.00 N ATOM 842 CA ASP A 53 15.087 -15.298 1.545 1.00 0.00 C ATOM 843 C ASP A 53 14.068 -14.350 0.920 1.00 0.00 C ATOM 844 O ASP A 53 14.039 -14.169 -0.298 1.00 0.00 O ATOM 845 CB ASP A 53 14.533 -16.723 1.561 1.00 0.00 C ATOM 846 CG ASP A 53 15.479 -17.705 2.225 1.00 0.00 C ATOM 847 OD1 ASP A 53 15.785 -17.516 3.420 1.00 0.00 O ATOM 848 OD2 ASP A 53 15.913 -18.661 1.548 1.00 0.00 O ATOM 0 H ASP A 53 15.076 -15.483 3.634 1.00 0.00 H new ATOM 0 HA ASP A 53 15.995 -15.276 0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.578 -16.732 2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.338 -17.046 0.538 1.00 0.00 H new ATOM 853 N TYR A 54 13.234 -13.748 1.760 1.00 0.00 N ATOM 854 CA TYR A 54 12.211 -12.822 1.290 1.00 0.00 C ATOM 855 C TYR A 54 12.834 -11.687 0.483 1.00 0.00 C ATOM 856 O TYR A 54 12.361 -11.349 -0.602 1.00 0.00 O ATOM 857 CB TYR A 54 11.427 -12.251 2.473 1.00 0.00 C ATOM 858 CG TYR A 54 10.216 -11.445 2.064 1.00 0.00 C ATOM 859 CD1 TYR A 54 10.336 -10.108 1.705 1.00 0.00 C ATOM 860 CD2 TYR A 54 8.951 -12.019 2.037 1.00 0.00 C ATOM 861 CE1 TYR A 54 9.231 -9.366 1.331 1.00 0.00 C ATOM 862 CE2 TYR A 54 7.841 -11.286 1.664 1.00 0.00 C ATOM 863 CZ TYR A 54 7.986 -9.960 1.311 1.00 0.00 C ATOM 864 OH TYR A 54 6.883 -9.226 0.940 1.00 0.00 O ATOM 0 H TYR A 54 13.246 -13.885 2.771 1.00 0.00 H new ATOM 0 HA TYR A 54 11.528 -13.372 0.643 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.107 -13.071 3.116 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.089 -11.621 3.067 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.309 -9.640 1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.833 -13.057 2.312 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.342 -8.327 1.056 1.00 0.00 H new ATOM 0 HE2 TYR A 54 6.865 -11.748 1.649 1.00 0.00 H new ATOM 0 HH TYR A 54 6.085 -9.793 0.978 1.00 0.00 H new ATOM 874 N TYR A 55 13.899 -11.102 1.021 1.00 0.00 N ATOM 875 CA TYR A 55 14.587 -10.004 0.353 1.00 0.00 C ATOM 876 C TYR A 55 15.383 -10.509 -0.846 1.00 0.00 C ATOM 877 O TYR A 55 15.392 -9.884 -1.908 1.00 0.00 O ATOM 878 CB TYR A 55 15.518 -9.287 1.333 1.00 0.00 C ATOM 879 CG TYR A 55 14.791 -8.419 2.334 1.00 0.00 C ATOM 880 CD1 TYR A 55 14.249 -8.964 3.492 1.00 0.00 C ATOM 881 CD2 TYR A 55 14.647 -7.053 2.124 1.00 0.00 C ATOM 882 CE1 TYR A 55 13.583 -8.174 4.409 1.00 0.00 C ATOM 883 CE2 TYR A 55 13.984 -6.255 3.036 1.00 0.00 C ATOM 884 CZ TYR A 55 13.454 -6.821 4.177 1.00 0.00 C ATOM 885 OH TYR A 55 12.792 -6.031 5.089 1.00 0.00 O ATOM 0 H TYR A 55 14.304 -11.370 1.918 1.00 0.00 H new ATOM 0 HA TYR A 55 13.835 -9.301 -0.004 1.00 0.00 H new ATOM 0 HB2 TYR A 55 16.108 -10.030 1.870 1.00 0.00 H new ATOM 0 HB3 TYR A 55 16.218 -8.670 0.770 1.00 0.00 H new ATOM 0 HD1 TYR A 55 14.350 -10.023 3.678 1.00 0.00 H new ATOM 0 HD2 TYR A 55 15.061 -6.607 1.232 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.166 -8.614 5.303 1.00 0.00 H new ATOM 0 HE2 TYR A 55 13.881 -5.195 2.857 1.00 0.00 H new ATOM 0 HH TYR A 55 12.790 -5.102 4.777 1.00 0.00 H new ATOM 895 N LEU A 56 16.051 -11.643 -0.669 1.00 0.00 N ATOM 896 CA LEU A 56 16.850 -12.235 -1.737 1.00 0.00 C ATOM 897 C LEU A 56 16.021 -12.411 -3.005 1.00 0.00 C ATOM 898 O LEU A 56 16.526 -12.254 -4.117 1.00 0.00 O ATOM 899 CB LEU A 56 17.414 -13.585 -1.290 1.00 0.00 C ATOM 900 CG LEU A 56 18.510 -13.535 -0.225 1.00 0.00 C ATOM 901 CD1 LEU A 56 18.599 -14.863 0.511 1.00 0.00 C ATOM 902 CD2 LEU A 56 19.850 -13.182 -0.855 1.00 0.00 C ATOM 0 H LEU A 56 16.056 -12.171 0.204 1.00 0.00 H new ATOM 0 HA LEU A 56 17.676 -11.558 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.592 -14.191 -0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.810 -14.099 -2.166 1.00 0.00 H new ATOM 0 HG LEU A 56 18.254 -12.759 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.384 -14.809 1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.646 -15.076 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.831 -15.657 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.618 -13.151 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.113 -13.935 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 56 19.780 -12.207 -1.337 1.00 0.00 H new ATOM 914 N THR A 57 14.744 -12.738 -2.830 1.00 0.00 N ATOM 915 CA THR A 57 13.844 -12.935 -3.959 1.00 0.00 C ATOM 916 C THR A 57 13.306 -11.604 -4.472 1.00 0.00 C ATOM 917 O THR A 57 13.395 -11.305 -5.663 1.00 0.00 O ATOM 918 CB THR A 57 12.659 -13.844 -3.581 1.00 0.00 C ATOM 919 OG1 THR A 57 13.064 -14.786 -2.581 1.00 0.00 O ATOM 920 CG2 THR A 57 12.136 -14.586 -4.802 1.00 0.00 C ATOM 0 H THR A 57 14.310 -12.872 -1.917 1.00 0.00 H new ATOM 0 HA THR A 57 14.425 -13.416 -4.746 1.00 0.00 H new ATOM 0 HB THR A 57 11.859 -13.217 -3.186 1.00 0.00 H new ATOM 0 HG1 THR A 57 13.146 -14.331 -1.717 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.300 -15.222 -4.511 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.802 -13.866 -5.550 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.931 -15.202 -5.221 1.00 0.00 H new ATOM 928 N ILE A 58 12.748 -10.808 -3.566 1.00 0.00 N ATOM 929 CA ILE A 58 12.197 -9.508 -3.927 1.00 0.00 C ATOM 930 C ILE A 58 13.199 -8.392 -3.654 1.00 0.00 C ATOM 931 O ILE A 58 13.699 -8.250 -2.538 1.00 0.00 O ATOM 932 CB ILE A 58 10.896 -9.215 -3.157 1.00 0.00 C ATOM 933 CG1 ILE A 58 9.740 -10.035 -3.734 1.00 0.00 C ATOM 934 CG2 ILE A 58 10.575 -7.728 -3.208 1.00 0.00 C ATOM 935 CD1 ILE A 58 10.055 -11.508 -3.871 1.00 0.00 C ATOM 0 H ILE A 58 12.666 -11.041 -2.576 1.00 0.00 H new ATOM 0 HA ILE A 58 11.978 -9.543 -4.994 1.00 0.00 H new ATOM 0 HB ILE A 58 11.035 -9.502 -2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.866 -9.916 -3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.475 -9.636 -4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.653 -7.536 -2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.391 -7.164 -2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.451 -7.418 -4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.191 -12.028 -4.286 1.00 0.00 H new ATOM 0 HD12 ILE A 58 10.910 -11.637 -4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.291 -11.922 -2.891 1.00 0.00 H new ATOM 947 N LYS A 59 13.487 -7.599 -4.681 1.00 0.00 N ATOM 948 CA LYS A 59 14.427 -6.491 -4.553 1.00 0.00 C ATOM 949 C LYS A 59 13.736 -5.253 -3.992 1.00 0.00 C ATOM 950 O LYS A 59 14.369 -4.410 -3.355 1.00 0.00 O ATOM 951 CB LYS A 59 15.053 -6.167 -5.911 1.00 0.00 C ATOM 952 CG LYS A 59 15.706 -7.364 -6.581 1.00 0.00 C ATOM 953 CD LYS A 59 17.159 -7.514 -6.162 1.00 0.00 C ATOM 954 CE LYS A 59 18.047 -6.492 -6.855 1.00 0.00 C ATOM 955 NZ LYS A 59 19.434 -6.999 -7.043 1.00 0.00 N ATOM 0 H LYS A 59 13.083 -7.703 -5.612 1.00 0.00 H new ATOM 0 HA LYS A 59 15.213 -6.792 -3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.283 -5.767 -6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.799 -5.383 -5.780 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.157 -8.270 -6.324 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.648 -7.252 -7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 59 17.241 -7.396 -5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 59 17.506 -8.520 -6.400 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.619 -6.237 -7.825 1.00 0.00 H new ATOM 0 HE3 LYS A 59 18.072 -5.575 -6.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 20.007 -6.273 -7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 19.852 -7.218 -6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 19.413 -7.860 -7.626 1.00 0.00 H new ATOM 969 N LYS A 60 12.433 -5.149 -4.230 1.00 0.00 N ATOM 970 CA LYS A 60 11.654 -4.016 -3.746 1.00 0.00 C ATOM 971 C LYS A 60 10.574 -4.474 -2.771 1.00 0.00 C ATOM 972 O LYS A 60 9.395 -4.568 -3.112 1.00 0.00 O ATOM 973 CB LYS A 60 11.013 -3.273 -4.920 1.00 0.00 C ATOM 974 CG LYS A 60 11.884 -2.165 -5.487 1.00 0.00 C ATOM 975 CD LYS A 60 11.108 -1.284 -6.452 1.00 0.00 C ATOM 976 CE LYS A 60 11.964 -0.139 -6.973 1.00 0.00 C ATOM 977 NZ LYS A 60 11.136 1.015 -7.419 1.00 0.00 N ATOM 0 H LYS A 60 11.894 -5.837 -4.756 1.00 0.00 H new ATOM 0 HA LYS A 60 12.330 -3.341 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.787 -3.987 -5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.064 -2.847 -4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.276 -1.556 -4.672 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.741 -2.601 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.753 -1.885 -7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.227 -0.882 -5.952 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.649 0.187 -6.191 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.574 -0.491 -7.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.757 1.774 -7.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.499 0.711 -8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.573 1.368 -6.619 1.00 0.00 H new ATOM 991 N PRO A 61 10.983 -4.766 -1.527 1.00 0.00 N ATOM 992 CA PRO A 61 10.066 -5.217 -0.477 1.00 0.00 C ATOM 993 C PRO A 61 9.126 -4.110 -0.013 1.00 0.00 C ATOM 994 O PRO A 61 9.571 -3.048 0.423 1.00 0.00 O ATOM 995 CB PRO A 61 11.004 -5.634 0.659 1.00 0.00 C ATOM 996 CG PRO A 61 12.242 -4.836 0.439 1.00 0.00 C ATOM 997 CD PRO A 61 12.374 -4.677 -1.051 1.00 0.00 C ATOM 0 HA PRO A 61 9.412 -6.017 -0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.564 -5.422 1.634 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.212 -6.704 0.629 1.00 0.00 H new ATOM 0 HG2 PRO A 61 12.173 -3.865 0.930 1.00 0.00 H new ATOM 0 HG3 PRO A 61 13.112 -5.343 0.856 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.829 -3.722 -1.315 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.998 -5.458 -1.485 1.00 0.00 H new ATOM 1005 N MET A 62 7.825 -4.364 -0.109 1.00 0.00 N ATOM 1006 CA MET A 62 6.824 -3.388 0.303 1.00 0.00 C ATOM 1007 C MET A 62 5.788 -4.027 1.223 1.00 0.00 C ATOM 1008 O MET A 62 5.033 -4.906 0.807 1.00 0.00 O ATOM 1009 CB MET A 62 6.132 -2.787 -0.922 1.00 0.00 C ATOM 1010 CG MET A 62 4.879 -1.995 -0.585 1.00 0.00 C ATOM 1011 SD MET A 62 5.044 -1.051 0.942 1.00 0.00 S ATOM 1012 CE MET A 62 6.391 0.051 0.516 1.00 0.00 C ATOM 0 H MET A 62 7.440 -5.237 -0.468 1.00 0.00 H new ATOM 0 HA MET A 62 7.331 -2.594 0.851 1.00 0.00 H new ATOM 0 HB2 MET A 62 6.834 -2.136 -1.443 1.00 0.00 H new ATOM 0 HB3 MET A 62 5.870 -3.590 -1.611 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.652 -1.314 -1.406 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.035 -2.679 -0.496 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.383 0.911 1.186 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.339 -0.478 0.615 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.271 0.391 -0.513 1.00 0.00 H new ATOM 1022 N ASP A 63 5.759 -3.581 2.474 1.00 0.00 N ATOM 1023 CA ASP A 63 4.816 -4.109 3.452 1.00 0.00 C ATOM 1024 C ASP A 63 3.867 -3.017 3.937 1.00 0.00 C ATOM 1025 O ASP A 63 4.123 -1.829 3.744 1.00 0.00 O ATOM 1026 CB ASP A 63 5.565 -4.714 4.640 1.00 0.00 C ATOM 1027 CG ASP A 63 6.369 -3.682 5.405 1.00 0.00 C ATOM 1028 OD1 ASP A 63 6.601 -2.585 4.855 1.00 0.00 O ATOM 1029 OD2 ASP A 63 6.767 -3.970 6.553 1.00 0.00 O ATOM 0 H ASP A 63 6.378 -2.855 2.834 1.00 0.00 H new ATOM 0 HA ASP A 63 4.228 -4.889 2.968 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.850 -5.186 5.314 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.232 -5.499 4.283 1.00 0.00 H new ATOM 1034 N MET A 64 2.771 -3.428 4.566 1.00 0.00 N ATOM 1035 CA MET A 64 1.785 -2.485 5.079 1.00 0.00 C ATOM 1036 C MET A 64 2.440 -1.459 5.998 1.00 0.00 C ATOM 1037 O MET A 64 2.061 -0.288 6.006 1.00 0.00 O ATOM 1038 CB MET A 64 0.678 -3.228 5.830 1.00 0.00 C ATOM 1039 CG MET A 64 -0.475 -3.662 4.940 1.00 0.00 C ATOM 1040 SD MET A 64 -1.595 -2.307 4.543 1.00 0.00 S ATOM 1041 CE MET A 64 -3.135 -2.935 5.208 1.00 0.00 C ATOM 0 H MET A 64 2.543 -4.408 4.733 1.00 0.00 H new ATOM 0 HA MET A 64 1.347 -1.959 4.231 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.105 -4.107 6.312 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.293 -2.585 6.622 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.077 -4.082 4.016 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.033 -4.456 5.437 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.924 -2.199 5.055 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.400 -3.862 4.699 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.019 -3.127 6.275 1.00 0.00 H new ATOM 1051 N GLU A 65 3.424 -1.907 6.772 1.00 0.00 N ATOM 1052 CA GLU A 65 4.129 -1.027 7.696 1.00 0.00 C ATOM 1053 C GLU A 65 4.728 0.168 6.959 1.00 0.00 C ATOM 1054 O GLU A 65 4.307 1.308 7.156 1.00 0.00 O ATOM 1055 CB GLU A 65 5.233 -1.796 8.424 1.00 0.00 C ATOM 1056 CG GLU A 65 4.730 -3.016 9.177 1.00 0.00 C ATOM 1057 CD GLU A 65 5.602 -3.368 10.367 1.00 0.00 C ATOM 1058 OE1 GLU A 65 6.645 -4.025 10.164 1.00 0.00 O ATOM 1059 OE2 GLU A 65 5.241 -2.988 11.500 1.00 0.00 O ATOM 0 H GLU A 65 3.750 -2.873 6.777 1.00 0.00 H new ATOM 0 HA GLU A 65 3.410 -0.658 8.427 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.984 -2.111 7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.729 -1.125 9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.712 -2.833 9.519 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.689 -3.867 8.497 1.00 0.00 H new ATOM 1066 N LYS A 66 5.713 -0.102 6.109 1.00 0.00 N ATOM 1067 CA LYS A 66 6.371 0.949 5.341 1.00 0.00 C ATOM 1068 C LYS A 66 5.369 2.016 4.910 1.00 0.00 C ATOM 1069 O LYS A 66 5.609 3.211 5.082 1.00 0.00 O ATOM 1070 CB LYS A 66 7.061 0.355 4.111 1.00 0.00 C ATOM 1071 CG LYS A 66 8.435 -0.221 4.404 1.00 0.00 C ATOM 1072 CD LYS A 66 9.129 -0.681 3.133 1.00 0.00 C ATOM 1073 CE LYS A 66 9.954 0.437 2.512 1.00 0.00 C ATOM 1074 NZ LYS A 66 9.182 1.706 2.414 1.00 0.00 N ATOM 0 H LYS A 66 6.073 -1.040 5.934 1.00 0.00 H new ATOM 0 HA LYS A 66 7.121 1.416 5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.429 -0.429 3.693 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.155 1.128 3.349 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.047 0.531 4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.339 -1.061 5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.775 -1.530 3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.385 -1.027 2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.850 0.602 3.110 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.285 0.135 1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.695 2.379 1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.247 1.513 2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.063 2.114 3.363 1.00 0.00 H new ATOM 1088 N ILE A 67 4.247 1.575 4.350 1.00 0.00 N ATOM 1089 CA ILE A 67 3.209 2.492 3.897 1.00 0.00 C ATOM 1090 C ILE A 67 2.758 3.414 5.026 1.00 0.00 C ATOM 1091 O ILE A 67 2.833 4.637 4.909 1.00 0.00 O ATOM 1092 CB ILE A 67 1.986 1.733 3.350 1.00 0.00 C ATOM 1093 CG1 ILE A 67 2.336 1.041 2.031 1.00 0.00 C ATOM 1094 CG2 ILE A 67 0.813 2.683 3.161 1.00 0.00 C ATOM 1095 CD1 ILE A 67 1.408 -0.102 1.683 1.00 0.00 C ATOM 0 H ILE A 67 4.034 0.589 4.199 1.00 0.00 H new ATOM 0 HA ILE A 67 3.644 3.089 3.095 1.00 0.00 H new ATOM 0 HB ILE A 67 1.697 0.971 4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.311 1.776 1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.357 0.665 2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.043 2.131 2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.552 3.133 4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.089 3.466 2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.716 -0.545 0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.450 -0.857 2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.388 0.272 1.594 1.00 0.00 H new ATOM 1107 N ARG A 68 2.292 2.817 6.118 1.00 0.00 N ATOM 1108 CA ARG A 68 1.830 3.584 7.269 1.00 0.00 C ATOM 1109 C ARG A 68 2.947 4.468 7.817 1.00 0.00 C ATOM 1110 O ARG A 68 2.798 5.686 7.910 1.00 0.00 O ATOM 1111 CB ARG A 68 1.324 2.645 8.365 1.00 0.00 C ATOM 1112 CG ARG A 68 0.231 3.251 9.230 1.00 0.00 C ATOM 1113 CD ARG A 68 0.093 2.512 10.551 1.00 0.00 C ATOM 1114 NE ARG A 68 -0.758 3.232 11.495 1.00 0.00 N ATOM 1115 CZ ARG A 68 -2.085 3.208 11.455 1.00 0.00 C ATOM 1116 NH1 ARG A 68 -2.711 2.503 10.523 1.00 0.00 N ATOM 1117 NH2 ARG A 68 -2.790 3.890 12.349 1.00 0.00 N ATOM 0 H ARG A 68 2.224 1.805 6.230 1.00 0.00 H new ATOM 0 HA ARG A 68 1.011 4.224 6.942 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.946 1.732 7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.161 2.358 9.001 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.456 4.300 9.421 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.718 3.221 8.694 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.324 1.521 10.370 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.080 2.367 10.990 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.308 3.784 12.225 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.173 1.977 9.834 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.730 2.486 10.495 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.313 4.434 13.068 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.809 3.871 12.317 1.00 0.00 H new ATOM 1131 N SER A 69 4.063 3.845 8.179 1.00 0.00 N ATOM 1132 CA SER A 69 5.203 4.574 8.723 1.00 0.00 C ATOM 1133 C SER A 69 5.499 5.818 7.891 1.00 0.00 C ATOM 1134 O SER A 69 6.088 6.782 8.382 1.00 0.00 O ATOM 1135 CB SER A 69 6.438 3.671 8.768 1.00 0.00 C ATOM 1136 OG SER A 69 7.551 4.356 9.316 1.00 0.00 O ATOM 0 H SER A 69 4.203 2.837 8.106 1.00 0.00 H new ATOM 0 HA SER A 69 4.953 4.887 9.737 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.223 2.785 9.365 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.678 3.327 7.762 1.00 0.00 H new ATOM 0 HG SER A 69 8.327 3.757 9.335 1.00 0.00 H new ATOM 1142 N HIS A 70 5.086 5.790 6.628 1.00 0.00 N ATOM 1143 CA HIS A 70 5.306 6.915 5.726 1.00 0.00 C ATOM 1144 C HIS A 70 4.085 7.829 5.691 1.00 0.00 C ATOM 1145 O HIS A 70 4.214 9.050 5.599 1.00 0.00 O ATOM 1146 CB HIS A 70 5.622 6.413 4.317 1.00 0.00 C ATOM 1147 CG HIS A 70 7.019 5.895 4.166 1.00 0.00 C ATOM 1148 ND1 HIS A 70 7.505 5.374 2.985 1.00 0.00 N ATOM 1149 CD2 HIS A 70 8.037 5.821 5.054 1.00 0.00 C ATOM 1150 CE1 HIS A 70 8.761 5.001 3.154 1.00 0.00 C ATOM 1151 NE2 HIS A 70 9.108 5.261 4.401 1.00 0.00 N ATOM 0 H HIS A 70 4.597 5.001 6.206 1.00 0.00 H new ATOM 0 HA HIS A 70 6.156 7.487 6.099 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.919 5.622 4.056 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.466 7.225 3.607 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.012 6.142 6.085 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.396 4.559 2.400 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.023 5.076 4.813 1.00 0.00 H new ATOM 1160 N MET A 71 2.901 7.230 5.764 1.00 0.00 N ATOM 1161 CA MET A 71 1.657 7.991 5.741 1.00 0.00 C ATOM 1162 C MET A 71 1.638 9.035 6.853 1.00 0.00 C ATOM 1163 O MET A 71 1.458 10.225 6.597 1.00 0.00 O ATOM 1164 CB MET A 71 0.457 7.053 5.885 1.00 0.00 C ATOM 1165 CG MET A 71 -0.074 6.538 4.557 1.00 0.00 C ATOM 1166 SD MET A 71 -1.820 6.092 4.634 1.00 0.00 S ATOM 1167 CE MET A 71 -1.891 5.277 6.228 1.00 0.00 C ATOM 0 H MET A 71 2.777 6.220 5.840 1.00 0.00 H new ATOM 0 HA MET A 71 1.593 8.506 4.782 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.742 6.204 6.507 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.343 7.577 6.408 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.069 7.301 3.792 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.506 5.668 4.251 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.859 4.789 6.344 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.099 4.531 6.291 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.759 6.014 7.020 1.00 0.00 H new ATOM 1177 N MET A 72 1.823 8.581 8.088 1.00 0.00 N ATOM 1178 CA MET A 72 1.828 9.476 9.239 1.00 0.00 C ATOM 1179 C MET A 72 3.045 10.395 9.208 1.00 0.00 C ATOM 1180 O MET A 72 3.141 11.340 9.990 1.00 0.00 O ATOM 1181 CB MET A 72 1.814 8.671 10.540 1.00 0.00 C ATOM 1182 CG MET A 72 0.526 7.894 10.760 1.00 0.00 C ATOM 1183 SD MET A 72 -0.838 8.947 11.289 1.00 0.00 S ATOM 1184 CE MET A 72 -1.834 8.984 9.800 1.00 0.00 C ATOM 0 H MET A 72 1.971 7.598 8.317 1.00 0.00 H new ATOM 0 HA MET A 72 0.929 10.091 9.193 1.00 0.00 H new ATOM 0 HB2 MET A 72 2.653 7.975 10.536 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.967 9.350 11.379 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.250 7.386 9.836 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.696 7.122 11.510 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.562 9.793 9.869 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.190 9.148 8.936 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.357 8.034 9.688 1.00 0.00 H new ATOM 1194 N ALA A 73 3.974 10.109 8.301 1.00 0.00 N ATOM 1195 CA ALA A 73 5.184 10.910 8.169 1.00 0.00 C ATOM 1196 C ALA A 73 5.023 11.972 7.086 1.00 0.00 C ATOM 1197 O ALA A 73 5.905 12.806 6.886 1.00 0.00 O ATOM 1198 CB ALA A 73 6.377 10.017 7.862 1.00 0.00 C ATOM 0 H ALA A 73 3.911 9.329 7.647 1.00 0.00 H new ATOM 0 HA ALA A 73 5.359 11.418 9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.274 10.629 7.766 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.512 9.299 8.671 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.201 9.482 6.929 1.00 0.00 H new ATOM 1204 N ASN A 74 3.892 11.935 6.390 1.00 0.00 N ATOM 1205 CA ASN A 74 3.617 12.894 5.326 1.00 0.00 C ATOM 1206 C ASN A 74 4.783 12.969 4.346 1.00 0.00 C ATOM 1207 O ASN A 74 5.183 14.053 3.921 1.00 0.00 O ATOM 1208 CB ASN A 74 3.343 14.278 5.918 1.00 0.00 C ATOM 1209 CG ASN A 74 2.036 14.331 6.685 1.00 0.00 C ATOM 1210 OD1 ASN A 74 1.056 14.918 6.226 1.00 0.00 O ATOM 1211 ND2 ASN A 74 2.016 13.715 7.862 1.00 0.00 N ATOM 0 H ASN A 74 3.151 11.251 6.543 1.00 0.00 H new ATOM 0 HA ASN A 74 2.733 12.556 4.785 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.162 14.555 6.582 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.320 15.015 5.116 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.165 13.716 8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.852 13.241 8.204 1.00 0.00 H new ATOM 1218 N LYS A 75 5.326 11.809 3.991 1.00 0.00 N ATOM 1219 CA LYS A 75 6.446 11.741 3.060 1.00 0.00 C ATOM 1220 C LYS A 75 5.955 11.511 1.634 1.00 0.00 C ATOM 1221 O LYS A 75 6.743 11.512 0.688 1.00 0.00 O ATOM 1222 CB LYS A 75 7.407 10.621 3.467 1.00 0.00 C ATOM 1223 CG LYS A 75 8.391 11.028 4.550 1.00 0.00 C ATOM 1224 CD LYS A 75 9.435 9.950 4.788 1.00 0.00 C ATOM 1225 CE LYS A 75 10.657 10.505 5.503 1.00 0.00 C ATOM 1226 NZ LYS A 75 11.569 11.220 4.568 1.00 0.00 N ATOM 0 H LYS A 75 5.008 10.903 4.334 1.00 0.00 H new ATOM 0 HA LYS A 75 6.973 12.694 3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.828 9.766 3.816 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.962 10.293 2.588 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.884 11.957 4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.852 11.225 5.477 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.000 9.145 5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.736 9.517 3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.338 11.187 6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.197 9.690 5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.390 11.583 5.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.894 10.563 3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.061 12.013 4.127 1.00 0.00 H new ATOM 1240 N TYR A 76 4.649 11.316 1.488 1.00 0.00 N ATOM 1241 CA TYR A 76 4.053 11.084 0.177 1.00 0.00 C ATOM 1242 C TYR A 76 3.806 12.402 -0.550 1.00 0.00 C ATOM 1243 O TYR A 76 4.175 13.470 -0.063 1.00 0.00 O ATOM 1244 CB TYR A 76 2.740 10.313 0.320 1.00 0.00 C ATOM 1245 CG TYR A 76 1.864 10.813 1.447 1.00 0.00 C ATOM 1246 CD1 TYR A 76 1.568 12.164 1.576 1.00 0.00 C ATOM 1247 CD2 TYR A 76 1.332 9.933 2.382 1.00 0.00 C ATOM 1248 CE1 TYR A 76 0.769 12.624 2.605 1.00 0.00 C ATOM 1249 CE2 TYR A 76 0.531 10.385 3.413 1.00 0.00 C ATOM 1250 CZ TYR A 76 0.253 11.731 3.520 1.00 0.00 C ATOM 1251 OH TYR A 76 -0.545 12.186 4.545 1.00 0.00 O ATOM 0 H TYR A 76 3.983 11.314 2.261 1.00 0.00 H new ATOM 0 HA TYR A 76 4.752 10.491 -0.412 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.186 10.379 -0.616 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.963 9.259 0.485 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.969 12.866 0.860 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.548 8.878 2.301 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.550 13.678 2.692 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.125 9.688 4.131 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.827 11.429 5.100 1.00 0.00 H new ATOM 1261 N GLN A 77 3.179 12.317 -1.718 1.00 0.00 N ATOM 1262 CA GLN A 77 2.882 13.502 -2.514 1.00 0.00 C ATOM 1263 C GLN A 77 1.434 13.488 -2.992 1.00 0.00 C ATOM 1264 O GLN A 77 0.793 14.535 -3.096 1.00 0.00 O ATOM 1265 CB GLN A 77 3.827 13.588 -3.713 1.00 0.00 C ATOM 1266 CG GLN A 77 5.288 13.748 -3.326 1.00 0.00 C ATOM 1267 CD GLN A 77 6.233 13.427 -4.467 1.00 0.00 C ATOM 1268 OE1 GLN A 77 6.122 12.379 -5.104 1.00 0.00 O ATOM 1269 NE2 GLN A 77 7.170 14.330 -4.732 1.00 0.00 N ATOM 0 H GLN A 77 2.867 11.440 -2.135 1.00 0.00 H new ATOM 0 HA GLN A 77 3.028 14.378 -1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.716 12.688 -4.317 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.531 14.430 -4.339 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.462 14.771 -2.993 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.510 13.096 -2.481 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.225 15.185 -4.178 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.834 14.169 -5.489 1.00 0.00 H new ATOM 1278 N ASP A 78 0.924 12.297 -3.283 1.00 0.00 N ATOM 1279 CA ASP A 78 -0.449 12.146 -3.750 1.00 0.00 C ATOM 1280 C ASP A 78 -0.957 10.729 -3.498 1.00 0.00 C ATOM 1281 O ASP A 78 -0.235 9.887 -2.963 1.00 0.00 O ATOM 1282 CB ASP A 78 -0.543 12.477 -5.241 1.00 0.00 C ATOM 1283 CG ASP A 78 -0.052 13.876 -5.555 1.00 0.00 C ATOM 1284 OD1 ASP A 78 -0.832 14.834 -5.370 1.00 0.00 O ATOM 1285 OD2 ASP A 78 1.112 14.014 -5.985 1.00 0.00 O ATOM 0 H ASP A 78 1.441 11.421 -3.204 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.075 12.842 -3.191 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.043 11.754 -5.808 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.578 12.376 -5.568 1.00 0.00 H new ATOM 1290 N ILE A 79 -2.202 10.475 -3.887 1.00 0.00 N ATOM 1291 CA ILE A 79 -2.805 9.161 -3.703 1.00 0.00 C ATOM 1292 C ILE A 79 -1.994 8.080 -4.410 1.00 0.00 C ATOM 1293 O ILE A 79 -1.946 6.933 -3.964 1.00 0.00 O ATOM 1294 CB ILE A 79 -4.252 9.127 -4.228 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -5.187 9.853 -3.258 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.707 7.690 -4.435 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -5.597 9.011 -2.070 1.00 0.00 C ATOM 0 H ILE A 79 -2.812 11.161 -4.331 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.812 8.964 -2.631 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.286 9.640 -5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.695 10.757 -2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.081 10.168 -3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.732 7.683 -4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.055 7.203 -5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.661 7.154 -3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.259 9.589 -1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.118 8.119 -2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.710 8.717 -1.509 1.00 0.00 H new ATOM 1309 N ASP A 80 -1.357 8.453 -5.514 1.00 0.00 N ATOM 1310 CA ASP A 80 -0.546 7.517 -6.283 1.00 0.00 C ATOM 1311 C ASP A 80 0.640 7.023 -5.459 1.00 0.00 C ATOM 1312 O ASP A 80 1.271 6.022 -5.800 1.00 0.00 O ATOM 1313 CB ASP A 80 -0.049 8.176 -7.570 1.00 0.00 C ATOM 1314 CG ASP A 80 0.269 7.164 -8.653 1.00 0.00 C ATOM 1315 OD1 ASP A 80 0.999 6.194 -8.363 1.00 0.00 O ATOM 1316 OD2 ASP A 80 -0.212 7.343 -9.792 1.00 0.00 O ATOM 0 H ASP A 80 -1.387 9.398 -5.897 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.169 6.661 -6.541 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.806 8.869 -7.936 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.843 8.764 -7.353 1.00 0.00 H new ATOM 1321 N SER A 81 0.937 7.732 -4.375 1.00 0.00 N ATOM 1322 CA SER A 81 2.050 7.368 -3.505 1.00 0.00 C ATOM 1323 C SER A 81 1.770 6.052 -2.786 1.00 0.00 C ATOM 1324 O SER A 81 2.651 5.203 -2.657 1.00 0.00 O ATOM 1325 CB SER A 81 2.309 8.477 -2.483 1.00 0.00 C ATOM 1326 OG SER A 81 1.296 8.505 -1.493 1.00 0.00 O ATOM 0 H SER A 81 0.423 8.561 -4.078 1.00 0.00 H new ATOM 0 HA SER A 81 2.937 7.241 -4.125 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.279 8.321 -2.011 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.353 9.441 -2.991 1.00 0.00 H new ATOM 0 HG SER A 81 0.713 9.278 -1.643 1.00 0.00 H new ATOM 1332 N MET A 82 0.536 5.892 -2.318 1.00 0.00 N ATOM 1333 CA MET A 82 0.138 4.680 -1.612 1.00 0.00 C ATOM 1334 C MET A 82 -0.123 3.540 -2.593 1.00 0.00 C ATOM 1335 O MET A 82 0.330 2.414 -2.386 1.00 0.00 O ATOM 1336 CB MET A 82 -1.112 4.941 -0.771 1.00 0.00 C ATOM 1337 CG MET A 82 -1.210 4.059 0.463 1.00 0.00 C ATOM 1338 SD MET A 82 -2.372 4.699 1.684 1.00 0.00 S ATOM 1339 CE MET A 82 -3.933 4.374 0.868 1.00 0.00 C ATOM 0 H MET A 82 -0.205 6.586 -2.415 1.00 0.00 H new ATOM 0 HA MET A 82 0.956 4.388 -0.953 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.120 5.986 -0.462 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.995 4.785 -1.390 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.518 3.057 0.165 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.224 3.967 0.919 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.745 4.810 1.450 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.922 4.817 -0.128 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.083 3.298 0.785 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.856 3.840 -3.660 1.00 0.00 N ATOM 1350 CA VAL A 83 -1.176 2.842 -4.673 1.00 0.00 C ATOM 1351 C VAL A 83 0.090 2.231 -5.263 1.00 0.00 C ATOM 1352 O VAL A 83 0.203 1.013 -5.389 1.00 0.00 O ATOM 1353 CB VAL A 83 -2.020 3.446 -5.811 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -2.406 2.374 -6.817 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -3.256 4.133 -5.250 1.00 0.00 C ATOM 0 H VAL A 83 -1.240 4.767 -3.845 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.754 2.063 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.419 4.194 -6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.002 2.820 -7.613 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.505 1.932 -7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.989 1.600 -6.318 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.841 4.554 -6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.861 3.407 -4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.953 4.931 -4.572 1.00 0.00 H new ATOM 1365 N GLU A 84 1.041 3.088 -5.623 1.00 0.00 N ATOM 1366 CA GLU A 84 2.300 2.632 -6.200 1.00 0.00 C ATOM 1367 C GLU A 84 3.052 1.732 -5.224 1.00 0.00 C ATOM 1368 O GLU A 84 3.993 1.036 -5.604 1.00 0.00 O ATOM 1369 CB GLU A 84 3.173 3.828 -6.585 1.00 0.00 C ATOM 1370 CG GLU A 84 3.834 4.506 -5.396 1.00 0.00 C ATOM 1371 CD GLU A 84 5.060 5.308 -5.789 1.00 0.00 C ATOM 1372 OE1 GLU A 84 6.125 4.694 -6.011 1.00 0.00 O ATOM 1373 OE2 GLU A 84 4.954 6.549 -5.876 1.00 0.00 O ATOM 0 H GLU A 84 0.963 4.100 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 84 2.071 2.055 -7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.945 3.495 -7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.561 4.558 -7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.113 5.165 -4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.118 3.751 -4.663 1.00 0.00 H new ATOM 1380 N ASP A 85 2.631 1.754 -3.964 1.00 0.00 N ATOM 1381 CA ASP A 85 3.264 0.940 -2.933 1.00 0.00 C ATOM 1382 C ASP A 85 2.545 -0.396 -2.778 1.00 0.00 C ATOM 1383 O ASP A 85 3.085 -1.448 -3.122 1.00 0.00 O ATOM 1384 CB ASP A 85 3.272 1.687 -1.598 1.00 0.00 C ATOM 1385 CG ASP A 85 4.413 2.679 -1.496 1.00 0.00 C ATOM 1386 OD1 ASP A 85 5.049 2.960 -2.534 1.00 0.00 O ATOM 1387 OD2 ASP A 85 4.670 3.176 -0.380 1.00 0.00 O ATOM 0 H ASP A 85 1.855 2.326 -3.632 1.00 0.00 H new ATOM 0 HA ASP A 85 4.292 0.745 -3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.325 2.213 -1.474 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.346 0.967 -0.783 1.00 0.00 H new ATOM 1392 N PHE A 86 1.323 -0.348 -2.257 1.00 0.00 N ATOM 1393 CA PHE A 86 0.531 -1.556 -2.054 1.00 0.00 C ATOM 1394 C PHE A 86 0.781 -2.565 -3.171 1.00 0.00 C ATOM 1395 O PHE A 86 0.997 -3.750 -2.915 1.00 0.00 O ATOM 1396 CB PHE A 86 -0.958 -1.209 -1.990 1.00 0.00 C ATOM 1397 CG PHE A 86 -1.446 -0.913 -0.600 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -1.334 0.362 -0.069 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -2.016 -1.910 0.175 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -1.781 0.636 1.209 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -2.465 -1.641 1.454 1.00 0.00 C ATOM 1402 CZ PHE A 86 -2.348 -0.366 1.972 1.00 0.00 C ATOM 0 H PHE A 86 0.860 0.514 -1.968 1.00 0.00 H new ATOM 0 HA PHE A 86 0.835 -2.005 -1.108 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.149 -0.344 -2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.534 -2.039 -2.400 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.892 1.150 -0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.111 -2.909 -0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.687 1.634 1.612 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.907 -2.427 2.048 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.699 -0.153 2.971 1.00 0.00 H new ATOM 1412 N VAL A 87 0.751 -2.086 -4.411 1.00 0.00 N ATOM 1413 CA VAL A 87 0.976 -2.945 -5.567 1.00 0.00 C ATOM 1414 C VAL A 87 2.056 -3.982 -5.280 1.00 0.00 C ATOM 1415 O VAL A 87 1.786 -5.183 -5.254 1.00 0.00 O ATOM 1416 CB VAL A 87 1.384 -2.125 -6.805 1.00 0.00 C ATOM 1417 CG1 VAL A 87 1.925 -3.036 -7.896 1.00 0.00 C ATOM 1418 CG2 VAL A 87 0.205 -1.310 -7.316 1.00 0.00 C ATOM 0 H VAL A 87 0.573 -1.108 -4.640 1.00 0.00 H new ATOM 0 HA VAL A 87 0.034 -3.453 -5.771 1.00 0.00 H new ATOM 0 HB VAL A 87 2.176 -1.435 -6.516 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.208 -2.438 -8.762 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.799 -3.571 -7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.157 -3.753 -8.185 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.511 -0.737 -8.191 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.610 -1.981 -7.588 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.132 -0.628 -6.535 1.00 0.00 H new ATOM 1428 N MET A 88 3.279 -3.510 -5.064 1.00 0.00 N ATOM 1429 CA MET A 88 4.400 -4.398 -4.777 1.00 0.00 C ATOM 1430 C MET A 88 3.952 -5.585 -3.931 1.00 0.00 C ATOM 1431 O MET A 88 4.035 -6.734 -4.363 1.00 0.00 O ATOM 1432 CB MET A 88 5.512 -3.633 -4.055 1.00 0.00 C ATOM 1433 CG MET A 88 6.458 -2.904 -4.996 1.00 0.00 C ATOM 1434 SD MET A 88 5.917 -1.223 -5.360 1.00 0.00 S ATOM 1435 CE MET A 88 7.005 -0.279 -4.295 1.00 0.00 C ATOM 0 H MET A 88 3.519 -2.519 -5.082 1.00 0.00 H new ATOM 0 HA MET A 88 4.784 -4.775 -5.725 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.062 -2.911 -3.374 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.086 -4.331 -3.445 1.00 0.00 H new ATOM 0 HG2 MET A 88 7.453 -2.873 -4.552 1.00 0.00 H new ATOM 0 HG3 MET A 88 6.541 -3.464 -5.927 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.792 0.784 -4.408 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.844 -0.574 -3.258 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.042 -0.472 -4.571 1.00 0.00 H new ATOM 1445 N MET A 89 3.476 -5.299 -2.723 1.00 0.00 N ATOM 1446 CA MET A 89 3.014 -6.343 -1.817 1.00 0.00 C ATOM 1447 C MET A 89 2.321 -7.463 -2.587 1.00 0.00 C ATOM 1448 O MET A 89 2.715 -8.626 -2.500 1.00 0.00 O ATOM 1449 CB MET A 89 2.058 -5.759 -0.775 1.00 0.00 C ATOM 1450 CG MET A 89 1.900 -6.630 0.460 1.00 0.00 C ATOM 1451 SD MET A 89 1.398 -5.688 1.914 1.00 0.00 S ATOM 1452 CE MET A 89 -0.140 -4.973 1.340 1.00 0.00 C ATOM 0 H MET A 89 3.400 -4.353 -2.350 1.00 0.00 H new ATOM 0 HA MET A 89 3.884 -6.758 -1.309 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.420 -4.776 -0.473 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.080 -5.612 -1.233 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.160 -7.405 0.261 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.843 -7.135 0.667 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.890 -5.044 2.127 1.00 0.00 H new ATOM 0 HE2 MET A 89 0.019 -3.926 1.083 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.486 -5.514 0.459 1.00 0.00 H new ATOM 1462 N PHE A 90 1.286 -7.105 -3.341 1.00 0.00 N ATOM 1463 CA PHE A 90 0.538 -8.080 -4.125 1.00 0.00 C ATOM 1464 C PHE A 90 1.466 -8.862 -5.050 1.00 0.00 C ATOM 1465 O PHE A 90 1.323 -10.074 -5.210 1.00 0.00 O ATOM 1466 CB PHE A 90 -0.547 -7.381 -4.947 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.312 -6.345 -4.172 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -1.291 -6.343 -2.787 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -2.051 -5.375 -4.830 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -1.994 -5.392 -2.072 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -2.756 -4.421 -4.120 1.00 0.00 C ATOM 1472 CZ PHE A 90 -2.726 -4.429 -2.739 1.00 0.00 C ATOM 0 H PHE A 90 0.947 -6.147 -3.425 1.00 0.00 H new ATOM 0 HA PHE A 90 0.068 -8.780 -3.434 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.086 -6.908 -5.814 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.244 -8.129 -5.325 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.719 -7.093 -2.260 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.077 -5.364 -5.910 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -1.971 -5.402 -0.992 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.329 -3.671 -4.644 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.274 -3.684 -2.182 1.00 0.00 H new ATOM 1482 N ASN A 91 2.418 -8.160 -5.655 1.00 0.00 N ATOM 1483 CA ASN A 91 3.370 -8.788 -6.565 1.00 0.00 C ATOM 1484 C ASN A 91 4.452 -9.534 -5.790 1.00 0.00 C ATOM 1485 O ASN A 91 5.165 -10.368 -6.346 1.00 0.00 O ATOM 1486 CB ASN A 91 4.011 -7.735 -7.472 1.00 0.00 C ATOM 1487 CG ASN A 91 3.045 -7.203 -8.512 1.00 0.00 C ATOM 1488 OD1 ASN A 91 1.955 -7.745 -8.698 1.00 0.00 O ATOM 1489 ND2 ASN A 91 3.442 -6.137 -9.197 1.00 0.00 N ATOM 0 H ASN A 91 2.551 -7.156 -5.532 1.00 0.00 H new ATOM 0 HA ASN A 91 2.828 -9.506 -7.180 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.376 -6.908 -6.863 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.877 -8.169 -7.972 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.835 -5.734 -9.911 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.354 -5.721 -9.009 1.00 0.00 H new ATOM 1496 N ASN A 92 4.567 -9.228 -4.502 1.00 0.00 N ATOM 1497 CA ASN A 92 5.561 -9.870 -3.649 1.00 0.00 C ATOM 1498 C ASN A 92 5.003 -11.147 -3.029 1.00 0.00 C ATOM 1499 O ASN A 92 5.750 -11.973 -2.506 1.00 0.00 O ATOM 1500 CB ASN A 92 6.015 -8.910 -2.548 1.00 0.00 C ATOM 1501 CG ASN A 92 6.696 -7.674 -3.102 1.00 0.00 C ATOM 1502 OD1 ASN A 92 7.102 -7.643 -4.264 1.00 0.00 O ATOM 1503 ND2 ASN A 92 6.825 -6.646 -2.271 1.00 0.00 N ATOM 0 H ASN A 92 3.984 -8.539 -4.026 1.00 0.00 H new ATOM 0 HA ASN A 92 6.419 -10.133 -4.268 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.152 -8.610 -1.953 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.700 -9.429 -1.877 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.275 -5.787 -2.588 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.474 -6.715 -1.316 1.00 0.00 H new ATOM 1510 N ALA A 93 3.685 -11.301 -3.091 1.00 0.00 N ATOM 1511 CA ALA A 93 3.026 -12.478 -2.538 1.00 0.00 C ATOM 1512 C ALA A 93 2.799 -13.536 -3.613 1.00 0.00 C ATOM 1513 O ALA A 93 3.248 -14.675 -3.482 1.00 0.00 O ATOM 1514 CB ALA A 93 1.706 -12.089 -1.890 1.00 0.00 C ATOM 0 H ALA A 93 3.052 -10.625 -3.519 1.00 0.00 H new ATOM 0 HA ALA A 93 3.679 -12.905 -1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.225 -12.978 -1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.891 -11.375 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.054 -11.635 -2.636 1.00 0.00 H new ATOM 1520 N CYS A 94 2.098 -13.152 -4.675 1.00 0.00 N ATOM 1521 CA CYS A 94 1.810 -14.069 -5.772 1.00 0.00 C ATOM 1522 C CYS A 94 3.055 -14.859 -6.162 1.00 0.00 C ATOM 1523 O CYS A 94 2.960 -15.974 -6.676 1.00 0.00 O ATOM 1524 CB CYS A 94 1.280 -13.298 -6.982 1.00 0.00 C ATOM 1525 SG CYS A 94 2.479 -12.160 -7.715 1.00 0.00 S ATOM 0 H CYS A 94 1.719 -12.213 -4.799 1.00 0.00 H new ATOM 0 HA CYS A 94 1.048 -14.772 -5.435 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.960 -14.011 -7.742 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.397 -12.734 -6.682 1.00 0.00 H new ATOM 0 HG CYS A 94 1.939 -11.556 -8.732 1.00 0.00 H new ATOM 1531 N THR A 95 4.222 -14.273 -5.917 1.00 0.00 N ATOM 1532 CA THR A 95 5.486 -14.920 -6.245 1.00 0.00 C ATOM 1533 C THR A 95 5.938 -15.846 -5.121 1.00 0.00 C ATOM 1534 O THR A 95 5.944 -17.068 -5.275 1.00 0.00 O ATOM 1535 CB THR A 95 6.594 -13.885 -6.518 1.00 0.00 C ATOM 1536 OG1 THR A 95 6.901 -13.168 -5.317 1.00 0.00 O ATOM 1537 CG2 THR A 95 6.165 -12.907 -7.602 1.00 0.00 C ATOM 0 H THR A 95 4.318 -13.351 -5.492 1.00 0.00 H new ATOM 0 HA THR A 95 5.315 -15.505 -7.149 1.00 0.00 H new ATOM 0 HB THR A 95 7.482 -14.417 -6.860 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.350 -12.327 -5.544 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.963 -12.186 -7.778 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.959 -13.452 -8.523 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.265 -12.382 -7.283 1.00 0.00 H new ATOM 1545 N TYR A 96 6.314 -15.257 -3.991 1.00 0.00 N ATOM 1546 CA TYR A 96 6.769 -16.030 -2.842 1.00 0.00 C ATOM 1547 C TYR A 96 5.878 -17.248 -2.617 1.00 0.00 C ATOM 1548 O TYR A 96 6.347 -18.385 -2.629 1.00 0.00 O ATOM 1549 CB TYR A 96 6.784 -15.156 -1.587 1.00 0.00 C ATOM 1550 CG TYR A 96 7.838 -15.559 -0.580 1.00 0.00 C ATOM 1551 CD1 TYR A 96 9.190 -15.411 -0.864 1.00 0.00 C ATOM 1552 CD2 TYR A 96 7.482 -16.087 0.655 1.00 0.00 C ATOM 1553 CE1 TYR A 96 10.156 -15.779 0.052 1.00 0.00 C ATOM 1554 CE2 TYR A 96 8.441 -16.455 1.578 1.00 0.00 C ATOM 1555 CZ TYR A 96 9.777 -16.300 1.272 1.00 0.00 C ATOM 1556 OH TYR A 96 10.736 -16.666 2.188 1.00 0.00 O ATOM 0 H TYR A 96 6.313 -14.247 -3.847 1.00 0.00 H new ATOM 0 HA TYR A 96 7.782 -16.377 -3.047 1.00 0.00 H new ATOM 0 HB2 TYR A 96 6.950 -14.119 -1.879 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.804 -15.200 -1.112 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.491 -15.001 -1.817 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.437 -16.212 0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 96 11.203 -15.660 -0.186 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.147 -16.862 2.534 1.00 0.00 H new ATOM 0 HH TYR A 96 10.467 -17.500 2.627 1.00 0.00 H new ATOM 1566 N ASN A 97 4.589 -16.999 -2.411 1.00 0.00 N ATOM 1567 CA ASN A 97 3.630 -18.074 -2.183 1.00 0.00 C ATOM 1568 C ASN A 97 3.019 -18.547 -3.499 1.00 0.00 C ATOM 1569 O ASN A 97 2.905 -17.778 -4.453 1.00 0.00 O ATOM 1570 CB ASN A 97 2.525 -17.608 -1.234 1.00 0.00 C ATOM 1571 CG ASN A 97 2.949 -17.665 0.221 1.00 0.00 C ATOM 1572 OD1 ASN A 97 2.966 -18.734 0.832 1.00 0.00 O ATOM 1573 ND2 ASN A 97 3.295 -16.513 0.782 1.00 0.00 N ATOM 0 H ASN A 97 4.184 -16.063 -2.397 1.00 0.00 H new ATOM 0 HA ASN A 97 4.162 -18.910 -1.728 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.240 -16.587 -1.487 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.641 -18.230 -1.377 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.590 -16.489 1.758 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.266 -15.651 0.237 1.00 0.00 H new ATOM 1580 N GLU A 98 2.628 -19.817 -3.542 1.00 0.00 N ATOM 1581 CA GLU A 98 2.030 -20.391 -4.741 1.00 0.00 C ATOM 1582 C GLU A 98 0.612 -19.865 -4.947 1.00 0.00 C ATOM 1583 O GLU A 98 -0.096 -19.527 -3.997 1.00 0.00 O ATOM 1584 CB GLU A 98 2.010 -21.918 -4.647 1.00 0.00 C ATOM 1585 CG GLU A 98 1.244 -22.444 -3.445 1.00 0.00 C ATOM 1586 CD GLU A 98 1.416 -23.938 -3.251 1.00 0.00 C ATOM 1587 OE1 GLU A 98 0.901 -24.708 -4.090 1.00 0.00 O ATOM 1588 OE2 GLU A 98 2.065 -24.338 -2.262 1.00 0.00 O ATOM 0 H GLU A 98 2.715 -20.467 -2.761 1.00 0.00 H new ATOM 0 HA GLU A 98 2.637 -20.095 -5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.566 -22.324 -5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.036 -22.284 -4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.581 -21.924 -2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.185 -22.217 -3.566 1.00 0.00 H new ATOM 1595 N PRO A 99 0.186 -19.794 -6.217 1.00 0.00 N ATOM 1596 CA PRO A 99 -1.149 -19.310 -6.578 1.00 0.00 C ATOM 1597 C PRO A 99 -2.250 -20.280 -6.161 1.00 0.00 C ATOM 1598 O PRO A 99 -3.430 -20.037 -6.409 1.00 0.00 O ATOM 1599 CB PRO A 99 -1.086 -19.198 -8.103 1.00 0.00 C ATOM 1600 CG PRO A 99 -0.034 -20.171 -8.511 1.00 0.00 C ATOM 1601 CD PRO A 99 0.976 -20.180 -7.398 1.00 0.00 C ATOM 0 HA PRO A 99 -1.391 -18.372 -6.078 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -2.047 -19.440 -8.558 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -0.831 -18.185 -8.415 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -0.458 -21.164 -8.661 1.00 0.00 H new ATOM 0 HG3 PRO A 99 0.427 -19.875 -9.454 1.00 0.00 H new ATOM 0 HD2 PRO A 99 1.429 -21.164 -7.274 1.00 0.00 H new ATOM 0 HD3 PRO A 99 1.787 -19.477 -7.586 1.00 0.00 H new ATOM 1609 N GLU A 100 -1.854 -21.379 -5.525 1.00 0.00 N ATOM 1610 CA GLU A 100 -2.808 -22.385 -5.075 1.00 0.00 C ATOM 1611 C GLU A 100 -3.433 -21.984 -3.742 1.00 0.00 C ATOM 1612 O GLU A 100 -4.625 -22.190 -3.516 1.00 0.00 O ATOM 1613 CB GLU A 100 -2.122 -23.746 -4.940 1.00 0.00 C ATOM 1614 CG GLU A 100 -2.046 -24.521 -6.244 1.00 0.00 C ATOM 1615 CD GLU A 100 -1.125 -23.869 -7.257 1.00 0.00 C ATOM 1616 OE1 GLU A 100 0.003 -23.491 -6.878 1.00 0.00 O ATOM 1617 OE2 GLU A 100 -1.534 -23.736 -8.430 1.00 0.00 O ATOM 0 H GLU A 100 -0.880 -21.594 -5.310 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.600 -22.457 -5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.113 -23.598 -4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.660 -24.343 -4.203 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.698 -25.534 -6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.046 -24.607 -6.670 1.00 0.00 H new ATOM 1624 N SER A 101 -2.619 -21.410 -2.862 1.00 0.00 N ATOM 1625 CA SER A 101 -3.090 -20.983 -1.550 1.00 0.00 C ATOM 1626 C SER A 101 -4.094 -19.842 -1.677 1.00 0.00 C ATOM 1627 O SER A 101 -4.408 -19.396 -2.782 1.00 0.00 O ATOM 1628 CB SER A 101 -1.911 -20.545 -0.679 1.00 0.00 C ATOM 1629 OG SER A 101 -2.220 -20.668 0.698 1.00 0.00 O ATOM 0 H SER A 101 -1.630 -21.230 -3.034 1.00 0.00 H new ATOM 0 HA SER A 101 -3.587 -21.830 -1.077 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.036 -21.151 -0.914 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.652 -19.511 -0.906 1.00 0.00 H new ATOM 0 HG SER A 101 -1.450 -20.384 1.233 1.00 0.00 H new ATOM 1635 N LEU A 102 -4.595 -19.374 -0.540 1.00 0.00 N ATOM 1636 CA LEU A 102 -5.565 -18.284 -0.522 1.00 0.00 C ATOM 1637 C LEU A 102 -4.865 -16.931 -0.597 1.00 0.00 C ATOM 1638 O LEU A 102 -5.371 -15.992 -1.213 1.00 0.00 O ATOM 1639 CB LEU A 102 -6.423 -18.358 0.742 1.00 0.00 C ATOM 1640 CG LEU A 102 -7.519 -19.423 0.748 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -6.921 -20.804 0.964 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -8.556 -19.115 1.818 1.00 0.00 C ATOM 0 H LEU A 102 -4.346 -19.732 0.382 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.208 -18.389 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.766 -18.537 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.889 -17.385 0.898 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.014 -19.413 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.717 -21.549 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.218 -21.026 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.399 -20.829 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.329 -19.884 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.075 -19.097 2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.008 -18.144 1.618 1.00 0.00 H new ATOM 1654 N ILE A 103 -3.698 -16.838 0.033 1.00 0.00 N ATOM 1655 CA ILE A 103 -2.928 -15.601 0.035 1.00 0.00 C ATOM 1656 C ILE A 103 -2.810 -15.025 -1.372 1.00 0.00 C ATOM 1657 O ILE A 103 -2.600 -13.824 -1.547 1.00 0.00 O ATOM 1658 CB ILE A 103 -1.515 -15.819 0.608 1.00 0.00 C ATOM 1659 CG1 ILE A 103 -0.748 -14.496 0.650 1.00 0.00 C ATOM 1660 CG2 ILE A 103 -0.760 -16.849 -0.219 1.00 0.00 C ATOM 1661 CD1 ILE A 103 -0.146 -14.104 -0.681 1.00 0.00 C ATOM 0 H ILE A 103 -3.266 -17.605 0.548 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.464 -14.896 0.670 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.607 -16.197 1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.421 -13.706 0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.047 -14.570 1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.237 -16.992 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.300 -17.796 -0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.675 -16.498 -1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.382 -13.156 -0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.553 -14.875 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.939 -13.997 -1.422 1.00 0.00 H new ATOM 1673 N TYR A 104 -2.948 -15.888 -2.372 1.00 0.00 N ATOM 1674 CA TYR A 104 -2.856 -15.465 -3.765 1.00 0.00 C ATOM 1675 C TYR A 104 -4.097 -14.680 -4.178 1.00 0.00 C ATOM 1676 O TYR A 104 -4.050 -13.460 -4.339 1.00 0.00 O ATOM 1677 CB TYR A 104 -2.679 -16.680 -4.678 1.00 0.00 C ATOM 1678 CG TYR A 104 -2.733 -16.343 -6.151 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -1.723 -15.601 -6.751 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -3.794 -16.765 -6.942 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -1.768 -15.290 -8.096 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -3.847 -16.460 -8.288 1.00 0.00 C ATOM 1683 CZ TYR A 104 -2.832 -15.722 -8.861 1.00 0.00 C ATOM 1684 OH TYR A 104 -2.881 -15.415 -10.201 1.00 0.00 O ATOM 0 H TYR A 104 -3.124 -16.885 -2.245 1.00 0.00 H new ATOM 0 HA TYR A 104 -1.987 -14.815 -3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.723 -17.154 -4.457 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.456 -17.410 -4.452 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -0.888 -15.262 -6.155 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -4.591 -17.342 -6.497 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.975 -14.712 -8.546 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.679 -16.797 -8.889 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.694 -15.795 -10.594 1.00 0.00 H new ATOM 1694 N LYS A 105 -5.208 -15.389 -4.349 1.00 0.00 N ATOM 1695 CA LYS A 105 -6.464 -14.762 -4.741 1.00 0.00 C ATOM 1696 C LYS A 105 -6.806 -13.601 -3.813 1.00 0.00 C ATOM 1697 O LYS A 105 -7.385 -12.602 -4.240 1.00 0.00 O ATOM 1698 CB LYS A 105 -7.598 -15.790 -4.729 1.00 0.00 C ATOM 1699 CG LYS A 105 -7.817 -16.436 -3.372 1.00 0.00 C ATOM 1700 CD LYS A 105 -9.224 -16.996 -3.242 1.00 0.00 C ATOM 1701 CE LYS A 105 -9.260 -18.201 -2.315 1.00 0.00 C ATOM 1702 NZ LYS A 105 -10.655 -18.621 -2.005 1.00 0.00 N ATOM 0 H LYS A 105 -5.264 -16.400 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.346 -14.373 -5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -8.521 -15.304 -5.044 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.381 -16.567 -5.462 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.091 -17.236 -3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.643 -15.701 -2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -9.891 -16.223 -2.861 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -9.596 -17.281 -4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.725 -19.031 -2.777 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.738 -17.962 -1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.637 -19.445 -1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.158 -17.838 -1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.145 -18.874 -2.887 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.443 -13.739 -2.543 1.00 0.00 N ATOM 1717 CA ASP A 106 -6.710 -12.700 -1.554 1.00 0.00 C ATOM 1718 C ASP A 106 -5.935 -11.427 -1.882 1.00 0.00 C ATOM 1719 O ASP A 106 -6.473 -10.323 -1.799 1.00 0.00 O ATOM 1720 CB ASP A 106 -6.339 -13.191 -0.154 1.00 0.00 C ATOM 1721 CG ASP A 106 -7.374 -14.138 0.420 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -7.968 -14.913 -0.360 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -7.590 -14.106 1.649 1.00 0.00 O ATOM 0 H ASP A 106 -5.963 -14.560 -2.173 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.776 -12.473 -1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -5.373 -13.694 -0.193 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.226 -12.334 0.510 1.00 0.00 H new ATOM 1728 N ALA A 107 -4.669 -11.589 -2.253 1.00 0.00 N ATOM 1729 CA ALA A 107 -3.821 -10.454 -2.593 1.00 0.00 C ATOM 1730 C ALA A 107 -4.423 -9.643 -3.736 1.00 0.00 C ATOM 1731 O ALA A 107 -4.295 -8.418 -3.776 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.424 -10.930 -2.960 1.00 0.00 C ATOM 0 H ALA A 107 -4.208 -12.496 -2.326 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.754 -9.807 -1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.801 -10.071 -3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.986 -11.460 -2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.482 -11.600 -3.818 1.00 0.00 H new ATOM 1738 N LEU A 108 -5.078 -10.332 -4.664 1.00 0.00 N ATOM 1739 CA LEU A 108 -5.699 -9.675 -5.809 1.00 0.00 C ATOM 1740 C LEU A 108 -6.997 -8.986 -5.402 1.00 0.00 C ATOM 1741 O LEU A 108 -7.230 -7.826 -5.745 1.00 0.00 O ATOM 1742 CB LEU A 108 -5.974 -10.693 -6.918 1.00 0.00 C ATOM 1743 CG LEU A 108 -4.744 -11.347 -7.548 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -5.132 -12.627 -8.272 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -4.055 -10.381 -8.501 1.00 0.00 C ATOM 0 H LEU A 108 -5.193 -11.345 -4.646 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.009 -8.918 -6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.611 -11.479 -6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.541 -10.198 -7.706 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.044 -11.602 -6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.244 -13.078 -8.714 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.579 -13.324 -7.564 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -5.851 -12.397 -9.058 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.182 -10.864 -8.940 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.748 -10.095 -9.292 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.741 -9.492 -7.954 1.00 0.00 H new ATOM 1757 N VAL A 109 -7.840 -9.706 -4.668 1.00 0.00 N ATOM 1758 CA VAL A 109 -9.113 -9.163 -4.212 1.00 0.00 C ATOM 1759 C VAL A 109 -8.954 -7.729 -3.719 1.00 0.00 C ATOM 1760 O VAL A 109 -9.668 -6.826 -4.158 1.00 0.00 O ATOM 1761 CB VAL A 109 -9.716 -10.019 -3.082 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -10.800 -9.245 -2.346 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -10.266 -11.323 -3.639 1.00 0.00 C ATOM 0 H VAL A 109 -7.663 -10.667 -4.377 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.788 -9.177 -5.068 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.927 -10.258 -2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.214 -9.866 -1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.372 -8.341 -1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.591 -8.974 -3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.688 -11.916 -2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -11.043 -11.106 -4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.462 -11.883 -4.117 1.00 0.00 H new ATOM 1773 N LEU A 110 -8.013 -7.525 -2.803 1.00 0.00 N ATOM 1774 CA LEU A 110 -7.758 -6.200 -2.249 1.00 0.00 C ATOM 1775 C LEU A 110 -7.464 -5.194 -3.358 1.00 0.00 C ATOM 1776 O LEU A 110 -8.101 -4.143 -3.441 1.00 0.00 O ATOM 1777 CB LEU A 110 -6.586 -6.252 -1.268 1.00 0.00 C ATOM 1778 CG LEU A 110 -6.661 -7.334 -0.190 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -5.323 -7.474 0.520 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -7.766 -7.019 0.807 1.00 0.00 C ATOM 0 H LEU A 110 -7.414 -8.261 -2.428 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.653 -5.877 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.668 -6.397 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.506 -5.282 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.894 -8.284 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.396 -8.248 1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.554 -7.748 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.059 -6.526 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.804 -7.800 1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.564 -6.059 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.723 -6.972 0.287 1.00 0.00 H new ATOM 1792 N HIS A 111 -6.497 -5.524 -4.208 1.00 0.00 N ATOM 1793 CA HIS A 111 -6.121 -4.650 -5.314 1.00 0.00 C ATOM 1794 C HIS A 111 -7.350 -3.979 -5.919 1.00 0.00 C ATOM 1795 O HIS A 111 -7.374 -2.764 -6.114 1.00 0.00 O ATOM 1796 CB HIS A 111 -5.378 -5.444 -6.388 1.00 0.00 C ATOM 1797 CG HIS A 111 -4.526 -4.594 -7.280 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -3.737 -5.112 -8.285 1.00 0.00 N ATOM 1799 CD2 HIS A 111 -4.344 -3.253 -7.314 1.00 0.00 C ATOM 1800 CE1 HIS A 111 -3.105 -4.127 -8.898 1.00 0.00 C ATOM 1801 NE2 HIS A 111 -3.457 -2.988 -8.328 1.00 0.00 N ATOM 0 H HIS A 111 -5.960 -6.389 -4.152 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.461 -3.875 -4.924 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.750 -6.193 -5.905 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -6.104 -5.982 -6.998 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -4.810 -2.527 -6.664 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.418 -4.234 -9.724 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.124 -2.062 -8.598 1.00 0.00 H new ATOM 1810 N LYS A 112 -8.369 -4.779 -6.215 1.00 0.00 N ATOM 1811 CA LYS A 112 -9.602 -4.264 -6.797 1.00 0.00 C ATOM 1812 C LYS A 112 -10.289 -3.290 -5.845 1.00 0.00 C ATOM 1813 O LYS A 112 -10.822 -2.264 -6.267 1.00 0.00 O ATOM 1814 CB LYS A 112 -10.550 -5.416 -7.137 1.00 0.00 C ATOM 1815 CG LYS A 112 -11.457 -5.128 -8.321 1.00 0.00 C ATOM 1816 CD LYS A 112 -10.819 -5.561 -9.630 1.00 0.00 C ATOM 1817 CE LYS A 112 -9.777 -4.558 -10.101 1.00 0.00 C ATOM 1818 NZ LYS A 112 -9.527 -4.664 -11.565 1.00 0.00 N ATOM 0 H LYS A 112 -8.365 -5.787 -6.061 1.00 0.00 H new ATOM 0 HA LYS A 112 -9.346 -3.730 -7.712 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -9.962 -6.309 -7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -11.165 -5.639 -6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -12.406 -5.647 -8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -11.680 -4.062 -8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -10.353 -6.538 -9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -11.590 -5.672 -10.393 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.111 -3.548 -9.862 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.845 -4.722 -9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.811 -3.964 -11.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.184 -5.620 -11.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.411 -4.482 -12.082 1.00 0.00 H new ATOM 1832 N VAL A 113 -10.271 -3.618 -4.557 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.890 -2.772 -3.544 1.00 0.00 C ATOM 1834 C VAL A 113 -10.145 -1.449 -3.403 1.00 0.00 C ATOM 1835 O VAL A 113 -10.743 -0.417 -3.095 1.00 0.00 O ATOM 1836 CB VAL A 113 -10.930 -3.474 -2.173 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -11.778 -2.680 -1.191 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -11.456 -4.894 -2.318 1.00 0.00 C ATOM 0 H VAL A 113 -9.834 -4.464 -4.191 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.910 -2.578 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.915 -3.525 -1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.795 -3.191 -0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.353 -1.684 -1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.795 -2.595 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.478 -5.376 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.464 -4.868 -2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.804 -5.457 -2.985 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.837 -1.486 -3.631 1.00 0.00 N ATOM 1849 CA LEU A 114 -8.009 -0.290 -3.530 1.00 0.00 C ATOM 1850 C LEU A 114 -8.262 0.649 -4.706 1.00 0.00 C ATOM 1851 O LEU A 114 -8.017 1.853 -4.617 1.00 0.00 O ATOM 1852 CB LEU A 114 -6.529 -0.673 -3.479 1.00 0.00 C ATOM 1853 CG LEU A 114 -5.544 0.380 -3.989 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -5.567 1.610 -3.094 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -4.139 -0.197 -4.069 1.00 0.00 C ATOM 0 H LEU A 114 -8.327 -2.331 -3.887 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.276 0.229 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.272 -0.912 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -6.390 -1.584 -4.062 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.849 0.679 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.860 2.348 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.570 2.037 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.288 1.327 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.452 0.567 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.824 -0.525 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.133 -1.046 -4.752 1.00 0.00 H new ATOM 1867 N LEU A 115 -8.756 0.091 -5.805 1.00 0.00 N ATOM 1868 CA LEU A 115 -9.046 0.878 -6.999 1.00 0.00 C ATOM 1869 C LEU A 115 -10.401 1.569 -6.880 1.00 0.00 C ATOM 1870 O LEU A 115 -10.511 2.777 -7.082 1.00 0.00 O ATOM 1871 CB LEU A 115 -9.024 -0.015 -8.241 1.00 0.00 C ATOM 1872 CG LEU A 115 -7.649 -0.520 -8.680 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -7.780 -1.461 -9.867 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -6.736 0.649 -9.021 1.00 0.00 C ATOM 0 H LEU A 115 -8.964 -0.903 -5.895 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.276 1.643 -7.095 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.663 -0.878 -8.055 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.467 0.538 -9.069 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.205 -1.073 -7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.791 -1.810 -10.165 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.397 -2.315 -9.588 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.245 -0.934 -10.700 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.762 0.271 -9.331 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.175 1.229 -9.832 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.616 1.285 -8.144 1.00 0.00 H new ATOM 1886 N GLU A 116 -11.428 0.793 -6.548 1.00 0.00 N ATOM 1887 CA GLU A 116 -12.775 1.332 -6.401 1.00 0.00 C ATOM 1888 C GLU A 116 -12.846 2.307 -5.230 1.00 0.00 C ATOM 1889 O GLU A 116 -13.528 3.330 -5.298 1.00 0.00 O ATOM 1890 CB GLU A 116 -13.782 0.198 -6.196 1.00 0.00 C ATOM 1891 CG GLU A 116 -13.764 -0.387 -4.794 1.00 0.00 C ATOM 1892 CD GLU A 116 -14.938 -1.309 -4.531 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -15.228 -2.163 -5.395 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -15.567 -1.177 -3.460 1.00 0.00 O ATOM 0 H GLU A 116 -11.353 -0.210 -6.376 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.025 1.870 -7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -14.784 0.570 -6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -13.574 -0.595 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.835 -0.937 -4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -13.774 0.424 -4.066 1.00 0.00 H new ATOM 1901 N THR A 117 -12.136 1.983 -4.153 1.00 0.00 N ATOM 1902 CA THR A 117 -12.119 2.828 -2.966 1.00 0.00 C ATOM 1903 C THR A 117 -11.490 4.184 -3.265 1.00 0.00 C ATOM 1904 O THR A 117 -11.823 5.186 -2.632 1.00 0.00 O ATOM 1905 CB THR A 117 -11.347 2.160 -1.812 1.00 0.00 C ATOM 1906 OG1 THR A 117 -11.575 2.874 -0.592 1.00 0.00 O ATOM 1907 CG2 THR A 117 -9.856 2.119 -2.111 1.00 0.00 C ATOM 0 H THR A 117 -11.565 1.141 -4.079 1.00 0.00 H new ATOM 0 HA THR A 117 -13.157 2.971 -2.665 1.00 0.00 H new ATOM 0 HB THR A 117 -11.708 1.137 -1.706 1.00 0.00 H new ATOM 0 HG1 THR A 117 -11.082 2.442 0.137 1.00 0.00 H new ATOM 0 HG21 THR A 117 -9.332 1.643 -1.282 1.00 0.00 H new ATOM 0 HG22 THR A 117 -9.684 1.550 -3.024 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.483 3.135 -2.241 1.00 0.00 H new ATOM 1915 N ARG A 118 -10.581 4.208 -4.234 1.00 0.00 N ATOM 1916 CA ARG A 118 -9.905 5.442 -4.617 1.00 0.00 C ATOM 1917 C ARG A 118 -10.566 6.066 -5.842 1.00 0.00 C ATOM 1918 O ARG A 118 -10.173 7.143 -6.291 1.00 0.00 O ATOM 1919 CB ARG A 118 -8.427 5.171 -4.904 1.00 0.00 C ATOM 1920 CG ARG A 118 -8.176 4.540 -6.263 1.00 0.00 C ATOM 1921 CD ARG A 118 -6.892 5.060 -6.890 1.00 0.00 C ATOM 1922 NE ARG A 118 -6.375 4.152 -7.911 1.00 0.00 N ATOM 1923 CZ ARG A 118 -5.298 4.409 -8.645 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -4.627 5.539 -8.472 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -4.890 3.533 -9.555 1.00 0.00 N ATOM 0 H ARG A 118 -10.296 3.387 -4.768 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.984 6.143 -3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.876 6.109 -4.841 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.030 4.515 -4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -8.118 3.457 -6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -9.016 4.751 -6.924 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.076 6.038 -7.334 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -6.140 5.199 -6.114 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.868 3.273 -8.069 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -4.937 6.214 -7.773 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -3.800 5.733 -9.037 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -5.403 2.662 -9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -4.063 3.731 -10.118 1.00 0.00 H new