USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 774 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 70 ASN : amide:sc= -1.98 K(o=-2,f=-3.4!) USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 65 TYR OH : rot 70:sc= -0.737 USER MOD Set 2.2: A 102 GLN : amide:sc= 0 K(o=-1.2,f=-2.2) USER MOD Set 2.3: A 147 ASN : amide:sc= -0.479 K(o=-1.2,f=-2.2) USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 35 SER OG : rot 180:sc=-0.00675 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.131! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 MET CE :methyl 172:sc= 0 (180deg=-0.0381) USER MOD Single : A 41 THR OG1 : rot -33:sc= 0.561 USER MOD Single : A 42 GLN : amide:sc= -3.49! C(o=-3.5!,f=-1.3!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.273 K(o=0.27,f=-0.98) USER MOD Single : A 59 TYR OH : rot 168:sc= 1.21 USER MOD Single : A 61 CYS SG : rot -66:sc= 0.125 USER MOD Single : A 67 TYR OH : rot 165:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -2:sc= 0.865 USER MOD Single : A 76 SER OG : rot -152:sc= 0.368 USER MOD Single : A 80 CYS SG : rot -52:sc= -0.86 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 139:sc= 0.935 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot 100:sc= 1.19 USER MOD Single : A 99 ASN : amide:sc= -0.661 K(o=-0.66,f=-1.5!) USER MOD Single : A 105 MET CE :methyl -144:sc= -1.79 (180deg=-2.16) USER MOD Single : A 106 GLN : amide:sc= -0.363 K(o=-0.36,f=-2.2!) USER MOD Single : A 140 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-0.23) USER MOD Single : A 143 CYS SG : rot 29:sc= -7.04! USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 19 11.197 -5.781 -3.200 1.00 0.00 N ATOM 235 CA THR A 19 10.133 -5.952 -4.181 1.00 0.00 C ATOM 236 C THR A 19 8.950 -6.704 -3.583 1.00 0.00 C ATOM 237 O THR A 19 7.884 -6.130 -3.360 1.00 0.00 O ATOM 238 CB THR A 19 10.632 -6.710 -5.426 1.00 0.00 C ATOM 239 OG1 THR A 19 10.941 -8.065 -5.083 1.00 0.00 O ATOM 240 CG2 THR A 19 11.864 -6.036 -6.011 1.00 0.00 C ATOM 0 HA THR A 19 9.813 -4.953 -4.477 1.00 0.00 H new ATOM 0 HB THR A 19 9.840 -6.697 -6.175 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.256 -8.540 -5.880 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.199 -6.588 -6.889 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.618 -5.014 -6.298 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.660 -6.022 -5.266 1.00 0.00 H new ATOM 248 N LYS A 20 9.144 -7.993 -3.324 1.00 0.00 N ATOM 249 CA LYS A 20 8.094 -8.825 -2.749 1.00 0.00 C ATOM 250 C LYS A 20 7.699 -8.323 -1.364 1.00 0.00 C ATOM 251 O LYS A 20 8.542 -7.854 -0.599 1.00 0.00 O ATOM 252 CB LYS A 20 8.558 -10.281 -2.663 1.00 0.00 C ATOM 253 CG LYS A 20 7.427 -11.288 -2.788 1.00 0.00 C ATOM 254 CD LYS A 20 7.164 -11.654 -4.239 1.00 0.00 C ATOM 255 CE LYS A 20 8.360 -12.355 -4.863 1.00 0.00 C ATOM 256 NZ LYS A 20 7.972 -13.162 -6.053 1.00 0.00 N ATOM 0 H LYS A 20 10.020 -8.484 -3.504 1.00 0.00 H new ATOM 0 HA LYS A 20 7.221 -8.766 -3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.288 -10.468 -3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.068 -10.436 -1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.675 -12.187 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.520 -10.875 -2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.289 -12.302 -4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.933 -10.753 -4.806 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.104 -11.614 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.828 -13.003 -4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.815 -13.624 -6.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.281 -13.886 -5.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.548 -12.540 -6.771 1.00 0.00 H new ATOM 270 N PHE A 21 6.413 -8.427 -1.046 1.00 0.00 N ATOM 271 CA PHE A 21 5.907 -7.984 0.248 1.00 0.00 C ATOM 272 C PHE A 21 4.685 -8.798 0.662 1.00 0.00 C ATOM 273 O PHE A 21 3.720 -8.920 -0.094 1.00 0.00 O ATOM 274 CB PHE A 21 5.551 -6.497 0.199 1.00 0.00 C ATOM 275 CG PHE A 21 6.746 -5.598 0.061 1.00 0.00 C ATOM 276 CD1 PHE A 21 7.673 -5.494 1.085 1.00 0.00 C ATOM 277 CD2 PHE A 21 6.943 -4.858 -1.094 1.00 0.00 C ATOM 278 CE1 PHE A 21 8.774 -4.668 0.961 1.00 0.00 C ATOM 279 CE2 PHE A 21 8.043 -4.030 -1.223 1.00 0.00 C ATOM 280 CZ PHE A 21 8.959 -3.935 -0.194 1.00 0.00 C ATOM 0 H PHE A 21 5.702 -8.814 -1.667 1.00 0.00 H new ATOM 0 HA PHE A 21 6.692 -8.138 0.989 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.875 -6.321 -0.638 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.010 -6.231 1.107 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.534 -6.065 1.991 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.230 -4.929 -1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.489 -4.596 1.767 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.186 -3.458 -2.128 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.818 -3.288 -0.293 1.00 0.00 H new ATOM 290 N LYS A 22 4.733 -9.356 1.867 1.00 0.00 N ATOM 291 CA LYS A 22 3.631 -10.158 2.384 1.00 0.00 C ATOM 292 C LYS A 22 2.570 -9.273 3.031 1.00 0.00 C ATOM 293 O LYS A 22 2.771 -8.746 4.125 1.00 0.00 O ATOM 294 CB LYS A 22 4.148 -11.179 3.400 1.00 0.00 C ATOM 295 CG LYS A 22 4.796 -12.396 2.764 1.00 0.00 C ATOM 296 CD LYS A 22 5.957 -12.005 1.865 1.00 0.00 C ATOM 297 CE LYS A 22 6.955 -13.142 1.717 1.00 0.00 C ATOM 298 NZ LYS A 22 6.390 -14.279 0.939 1.00 0.00 N ATOM 0 H LYS A 22 5.524 -9.267 2.504 1.00 0.00 H new ATOM 0 HA LYS A 22 3.176 -10.687 1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.872 -10.693 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.319 -11.506 4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.150 -13.070 3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.053 -12.943 2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.579 -11.722 0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.459 -11.130 2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.854 -12.774 1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.256 -13.492 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.101 -15.034 0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.547 -14.647 1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.126 -13.952 -0.012 1.00 0.00 H new ATOM 312 N VAL A 23 1.440 -9.117 2.349 1.00 0.00 N ATOM 313 CA VAL A 23 0.347 -8.298 2.859 1.00 0.00 C ATOM 314 C VAL A 23 -0.825 -9.163 3.308 1.00 0.00 C ATOM 315 O VAL A 23 -0.956 -10.315 2.892 1.00 0.00 O ATOM 316 CB VAL A 23 -0.146 -7.296 1.798 1.00 0.00 C ATOM 317 CG1 VAL A 23 1.002 -6.426 1.310 1.00 0.00 C ATOM 318 CG2 VAL A 23 -0.802 -8.029 0.637 1.00 0.00 C ATOM 0 H VAL A 23 1.258 -9.547 1.442 1.00 0.00 H new ATOM 0 HA VAL A 23 0.737 -7.747 3.715 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.892 -6.647 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.634 -5.725 0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.422 -5.873 2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.774 -7.056 0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.144 -7.306 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.079 -8.704 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.653 -8.603 1.003 1.00 0.00 H new ATOM 328 N THR A 24 -1.677 -8.601 4.160 1.00 0.00 N ATOM 329 CA THR A 24 -2.838 -9.322 4.666 1.00 0.00 C ATOM 330 C THR A 24 -4.111 -8.499 4.500 1.00 0.00 C ATOM 331 O THR A 24 -4.400 -7.616 5.305 1.00 0.00 O ATOM 332 CB THR A 24 -2.668 -9.688 6.153 1.00 0.00 C ATOM 333 OG1 THR A 24 -1.505 -10.505 6.326 1.00 0.00 O ATOM 334 CG2 THR A 24 -3.894 -10.424 6.673 1.00 0.00 C ATOM 0 H THR A 24 -1.585 -7.649 4.514 1.00 0.00 H new ATOM 0 HA THR A 24 -2.921 -10.238 4.081 1.00 0.00 H new ATOM 0 HB THR A 24 -2.551 -8.765 6.721 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.403 -10.732 7.274 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.751 -10.672 7.725 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.773 -9.788 6.567 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.038 -11.340 6.101 1.00 0.00 H new ATOM 342 N ASN A 25 -4.869 -8.797 3.449 1.00 0.00 N ATOM 343 CA ASN A 25 -6.112 -8.084 3.177 1.00 0.00 C ATOM 344 C ASN A 25 -7.009 -8.064 4.411 1.00 0.00 C ATOM 345 O ASN A 25 -7.321 -9.109 4.982 1.00 0.00 O ATOM 346 CB ASN A 25 -6.851 -8.734 2.006 1.00 0.00 C ATOM 347 CG ASN A 25 -8.235 -8.150 1.799 1.00 0.00 C ATOM 348 OD1 ASN A 25 -9.241 -8.847 1.928 1.00 0.00 O ATOM 349 ND2 ASN A 25 -8.291 -6.863 1.477 1.00 0.00 N ATOM 0 H ASN A 25 -4.644 -9.527 2.773 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.862 -7.056 2.915 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.266 -8.606 1.095 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -6.935 -9.806 2.183 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.194 -6.414 1.326 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.431 -6.323 1.381 1.00 0.00 H new ATOM 356 N VAL A 26 -7.420 -6.867 4.817 1.00 0.00 N ATOM 357 CA VAL A 26 -8.282 -6.710 5.982 1.00 0.00 C ATOM 358 C VAL A 26 -9.427 -5.746 5.693 1.00 0.00 C ATOM 359 O VAL A 26 -9.582 -5.269 4.568 1.00 0.00 O ATOM 360 CB VAL A 26 -7.492 -6.199 7.201 1.00 0.00 C ATOM 361 CG1 VAL A 26 -6.442 -7.216 7.622 1.00 0.00 C ATOM 362 CG2 VAL A 26 -6.850 -4.854 6.894 1.00 0.00 C ATOM 0 H VAL A 26 -7.170 -5.992 4.356 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.688 -7.696 6.209 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.186 -6.064 8.031 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.894 -6.837 8.485 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.930 -8.155 7.885 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.749 -7.386 6.798 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.296 -4.508 7.766 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.169 -4.960 6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.625 -4.129 6.645 1.00 0.00 H new ATOM 372 N ASP A 27 -10.228 -5.463 6.714 1.00 0.00 N ATOM 373 CA ASP A 27 -11.359 -4.554 6.571 1.00 0.00 C ATOM 374 C ASP A 27 -11.109 -3.251 7.325 1.00 0.00 C ATOM 375 O ASP A 27 -10.047 -3.059 7.917 1.00 0.00 O ATOM 376 CB ASP A 27 -12.640 -5.215 7.080 1.00 0.00 C ATOM 377 CG ASP A 27 -12.770 -6.655 6.623 1.00 0.00 C ATOM 378 OD1 ASP A 27 -11.960 -7.494 7.070 1.00 0.00 O ATOM 379 OD2 ASP A 27 -13.682 -6.942 5.820 1.00 0.00 O ATOM 0 H ASP A 27 -10.115 -5.850 7.651 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.475 -4.323 5.512 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.655 -5.180 8.169 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.502 -4.647 6.731 1.00 0.00 H new ATOM 384 N ASP A 28 -12.094 -2.360 7.299 1.00 0.00 N ATOM 385 CA ASP A 28 -11.981 -1.076 7.980 1.00 0.00 C ATOM 386 C ASP A 28 -11.507 -1.263 9.418 1.00 0.00 C ATOM 387 O ASP A 28 -10.732 -0.460 9.935 1.00 0.00 O ATOM 388 CB ASP A 28 -13.325 -0.346 7.964 1.00 0.00 C ATOM 389 CG ASP A 28 -14.285 -0.878 9.009 1.00 0.00 C ATOM 390 OD1 ASP A 28 -14.414 -2.115 9.122 1.00 0.00 O ATOM 391 OD2 ASP A 28 -14.908 -0.057 9.714 1.00 0.00 O ATOM 0 H ASP A 28 -12.980 -2.504 6.814 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.243 -0.475 7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.159 0.718 8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.777 -0.444 6.977 1.00 0.00 H new ATOM 396 N GLU A 29 -11.980 -2.329 10.057 1.00 0.00 N ATOM 397 CA GLU A 29 -11.606 -2.619 11.436 1.00 0.00 C ATOM 398 C GLU A 29 -10.172 -3.135 11.514 1.00 0.00 C ATOM 399 O GLU A 29 -9.447 -2.846 12.464 1.00 0.00 O ATOM 400 CB GLU A 29 -12.563 -3.648 12.042 1.00 0.00 C ATOM 401 CG GLU A 29 -13.949 -3.096 12.329 1.00 0.00 C ATOM 402 CD GLU A 29 -14.795 -4.044 13.155 1.00 0.00 C ATOM 403 OE1 GLU A 29 -14.464 -4.254 14.341 1.00 0.00 O ATOM 404 OE2 GLU A 29 -15.788 -4.577 12.617 1.00 0.00 O ATOM 0 H GLU A 29 -12.622 -3.005 9.642 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.672 -1.692 12.006 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.652 -4.494 11.361 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.134 -4.029 12.969 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.856 -2.146 12.855 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.456 -2.890 11.386 1.00 0.00 H new ATOM 411 N GLY A 30 -9.770 -3.903 10.505 1.00 0.00 N ATOM 412 CA GLY A 30 -8.425 -4.448 10.478 1.00 0.00 C ATOM 413 C GLY A 30 -8.408 -5.957 10.616 1.00 0.00 C ATOM 414 O GLY A 30 -7.343 -6.568 10.706 1.00 0.00 O ATOM 0 H GLY A 30 -10.352 -4.157 9.707 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.941 -4.166 9.543 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.841 -4.006 11.285 1.00 0.00 H new ATOM 418 N VAL A 31 -9.592 -6.561 10.634 1.00 0.00 N ATOM 419 CA VAL A 31 -9.709 -8.009 10.762 1.00 0.00 C ATOM 420 C VAL A 31 -9.028 -8.721 9.599 1.00 0.00 C ATOM 421 O VAL A 31 -9.177 -8.325 8.444 1.00 0.00 O ATOM 422 CB VAL A 31 -11.184 -8.449 10.826 1.00 0.00 C ATOM 423 CG1 VAL A 31 -11.286 -9.928 11.167 1.00 0.00 C ATOM 424 CG2 VAL A 31 -11.947 -7.607 11.838 1.00 0.00 C ATOM 0 H VAL A 31 -10.483 -6.070 10.562 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.214 -8.285 11.693 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.634 -8.295 9.845 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.335 -10.220 11.208 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.775 -10.514 10.403 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.820 -10.111 12.135 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.987 -7.931 11.870 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.498 -7.728 12.824 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.903 -6.558 11.545 1.00 0.00 H new ATOM 434 N GLU A 32 -8.280 -9.774 9.913 1.00 0.00 N ATOM 435 CA GLU A 32 -7.576 -10.542 8.893 1.00 0.00 C ATOM 436 C GLU A 32 -8.533 -11.472 8.154 1.00 0.00 C ATOM 437 O GLU A 32 -9.227 -12.283 8.768 1.00 0.00 O ATOM 438 CB GLU A 32 -6.444 -11.355 9.526 1.00 0.00 C ATOM 439 CG GLU A 32 -5.562 -10.545 10.461 1.00 0.00 C ATOM 440 CD GLU A 32 -4.959 -11.386 11.569 1.00 0.00 C ATOM 441 OE1 GLU A 32 -5.716 -11.825 12.460 1.00 0.00 O ATOM 442 OE2 GLU A 32 -3.730 -11.605 11.544 1.00 0.00 O ATOM 0 H GLU A 32 -8.146 -10.115 10.865 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.152 -9.840 8.175 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.873 -12.191 10.078 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.826 -11.780 8.735 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.761 -10.080 9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.149 -9.739 10.901 1.00 0.00 H new ATOM 449 N LEU A 33 -8.566 -11.347 6.832 1.00 0.00 N ATOM 450 CA LEU A 33 -9.438 -12.176 6.007 1.00 0.00 C ATOM 451 C LEU A 33 -8.622 -13.115 5.124 1.00 0.00 C ATOM 452 O LEU A 33 -8.617 -14.328 5.328 1.00 0.00 O ATOM 453 CB LEU A 33 -10.340 -11.296 5.139 1.00 0.00 C ATOM 454 CG LEU A 33 -11.032 -10.135 5.853 1.00 0.00 C ATOM 455 CD1 LEU A 33 -11.804 -9.280 4.859 1.00 0.00 C ATOM 456 CD2 LEU A 33 -11.958 -10.655 6.943 1.00 0.00 C ATOM 0 H LEU A 33 -7.999 -10.680 6.308 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.058 -12.779 6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.742 -10.890 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.106 -11.928 4.689 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.267 -9.513 6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.290 -8.459 5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.117 -8.878 4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.559 -9.890 4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.442 -9.815 7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.717 -11.300 6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.380 -11.224 7.671 1.00 0.00 H new ATOM 468 N GLY A 34 -7.932 -12.543 4.141 1.00 0.00 N ATOM 469 CA GLY A 34 -7.120 -13.343 3.243 1.00 0.00 C ATOM 470 C GLY A 34 -5.763 -12.722 2.979 1.00 0.00 C ATOM 471 O GLY A 34 -5.671 -11.564 2.572 1.00 0.00 O ATOM 0 H GLY A 34 -7.921 -11.541 3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.984 -14.337 3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.648 -13.471 2.298 1.00 0.00 H new ATOM 475 N SER A 35 -4.705 -13.492 3.213 1.00 0.00 N ATOM 476 CA SER A 35 -3.346 -13.008 3.003 1.00 0.00 C ATOM 477 C SER A 35 -2.864 -13.334 1.592 1.00 0.00 C ATOM 478 O SER A 35 -3.370 -14.253 0.949 1.00 0.00 O ATOM 479 CB SER A 35 -2.397 -13.625 4.033 1.00 0.00 C ATOM 480 OG SER A 35 -2.915 -13.495 5.345 1.00 0.00 O ATOM 0 H SER A 35 -4.763 -14.454 3.548 1.00 0.00 H new ATOM 0 HA SER A 35 -3.350 -11.925 3.126 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.241 -14.679 3.803 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.424 -13.138 3.973 1.00 0.00 H new ATOM 0 HG SER A 35 -2.291 -13.898 5.984 1.00 0.00 H new ATOM 486 N GLY A 36 -1.882 -12.574 1.118 1.00 0.00 N ATOM 487 CA GLY A 36 -1.348 -12.796 -0.213 1.00 0.00 C ATOM 488 C GLY A 36 0.001 -12.136 -0.414 1.00 0.00 C ATOM 489 O GLY A 36 0.463 -11.377 0.439 1.00 0.00 O ATOM 0 H GLY A 36 -1.446 -11.808 1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.255 -13.868 -0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.051 -12.411 -0.952 1.00 0.00 H new ATOM 493 N VAL A 37 0.637 -12.424 -1.546 1.00 0.00 N ATOM 494 CA VAL A 37 1.941 -11.853 -1.856 1.00 0.00 C ATOM 495 C VAL A 37 1.809 -10.658 -2.794 1.00 0.00 C ATOM 496 O VAL A 37 1.321 -10.788 -3.916 1.00 0.00 O ATOM 497 CB VAL A 37 2.872 -12.897 -2.502 1.00 0.00 C ATOM 498 CG1 VAL A 37 4.235 -12.289 -2.795 1.00 0.00 C ATOM 499 CG2 VAL A 37 3.006 -14.118 -1.604 1.00 0.00 C ATOM 0 H VAL A 37 0.269 -13.050 -2.263 1.00 0.00 H new ATOM 0 HA VAL A 37 2.375 -11.524 -0.912 1.00 0.00 H new ATOM 0 HB VAL A 37 2.432 -13.215 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.879 -13.041 -3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.119 -11.448 -3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.686 -11.941 -1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.667 -14.845 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.423 -13.818 -0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.024 -14.566 -1.450 1.00 0.00 H new ATOM 509 N MET A 38 2.248 -9.494 -2.325 1.00 0.00 N ATOM 510 CA MET A 38 2.180 -8.275 -3.123 1.00 0.00 C ATOM 511 C MET A 38 3.484 -8.049 -3.881 1.00 0.00 C ATOM 512 O MET A 38 4.566 -8.341 -3.374 1.00 0.00 O ATOM 513 CB MET A 38 1.881 -7.071 -2.228 1.00 0.00 C ATOM 514 CG MET A 38 1.651 -5.782 -3.001 1.00 0.00 C ATOM 515 SD MET A 38 1.030 -4.449 -1.958 1.00 0.00 S ATOM 516 CE MET A 38 -0.736 -4.715 -2.084 1.00 0.00 C ATOM 0 H MET A 38 2.654 -9.369 -1.398 1.00 0.00 H new ATOM 0 HA MET A 38 1.374 -8.389 -3.848 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.998 -7.286 -1.626 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.711 -6.927 -1.537 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.586 -5.469 -3.465 1.00 0.00 H new ATOM 0 HG3 MET A 38 0.942 -5.968 -3.807 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.253 -4.060 -1.383 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.066 -4.493 -3.099 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.965 -5.754 -1.847 1.00 0.00 H new ATOM 526 N GLU A 39 3.372 -7.527 -5.099 1.00 0.00 N ATOM 527 CA GLU A 39 4.544 -7.262 -5.926 1.00 0.00 C ATOM 528 C GLU A 39 4.411 -5.923 -6.646 1.00 0.00 C ATOM 529 O GLU A 39 3.378 -5.629 -7.249 1.00 0.00 O ATOM 530 CB GLU A 39 4.738 -8.385 -6.948 1.00 0.00 C ATOM 531 CG GLU A 39 5.922 -8.167 -7.874 1.00 0.00 C ATOM 532 CD GLU A 39 6.413 -9.455 -8.506 1.00 0.00 C ATOM 533 OE1 GLU A 39 5.594 -10.383 -8.673 1.00 0.00 O ATOM 534 OE2 GLU A 39 7.615 -9.535 -8.834 1.00 0.00 O ATOM 0 H GLU A 39 2.483 -7.280 -5.534 1.00 0.00 H new ATOM 0 HA GLU A 39 5.416 -7.219 -5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.871 -9.328 -6.418 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.832 -8.481 -7.547 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.640 -7.466 -8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.737 -7.708 -7.314 1.00 0.00 H new ATOM 541 N LEU A 40 5.463 -5.115 -6.577 1.00 0.00 N ATOM 542 CA LEU A 40 5.465 -3.806 -7.221 1.00 0.00 C ATOM 543 C LEU A 40 6.463 -3.768 -8.374 1.00 0.00 C ATOM 544 O LEU A 40 7.645 -4.064 -8.197 1.00 0.00 O ATOM 545 CB LEU A 40 5.802 -2.715 -6.203 1.00 0.00 C ATOM 546 CG LEU A 40 4.614 -2.086 -5.475 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.196 -2.947 -4.293 1.00 0.00 C ATOM 548 CD2 LEU A 40 4.956 -0.677 -5.015 1.00 0.00 C ATOM 0 H LEU A 40 6.325 -5.343 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 40 4.468 -3.624 -7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.477 -3.137 -5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.348 -1.924 -6.716 1.00 0.00 H new ATOM 0 HG LEU A 40 3.776 -2.027 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.349 -2.484 -3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.909 -3.937 -4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.029 -3.038 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.099 -0.245 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.808 -0.713 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.206 -0.063 -5.880 1.00 0.00 H new ATOM 560 N THR A 41 5.980 -3.399 -9.556 1.00 0.00 N ATOM 561 CA THR A 41 6.829 -3.320 -10.738 1.00 0.00 C ATOM 562 C THR A 41 6.764 -1.935 -11.372 1.00 0.00 C ATOM 563 O THR A 41 5.738 -1.260 -11.302 1.00 0.00 O ATOM 564 CB THR A 41 6.428 -4.373 -11.789 1.00 0.00 C ATOM 565 OG1 THR A 41 5.117 -4.089 -12.291 1.00 0.00 O ATOM 566 CG2 THR A 41 6.456 -5.772 -11.192 1.00 0.00 C ATOM 0 H THR A 41 5.005 -3.150 -9.720 1.00 0.00 H new ATOM 0 HA THR A 41 7.849 -3.517 -10.407 1.00 0.00 H new ATOM 0 HB THR A 41 7.147 -4.330 -12.607 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.571 -3.697 -11.577 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.169 -6.498 -11.953 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.462 -5.996 -10.837 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.757 -5.826 -10.358 1.00 0.00 H new ATOM 574 N GLN A 42 7.865 -1.520 -11.989 1.00 0.00 N ATOM 575 CA GLN A 42 7.931 -0.214 -12.635 1.00 0.00 C ATOM 576 C GLN A 42 6.687 0.039 -13.481 1.00 0.00 C ATOM 577 O GLN A 42 6.321 1.186 -13.736 1.00 0.00 O ATOM 578 CB GLN A 42 9.183 -0.116 -13.508 1.00 0.00 C ATOM 579 CG GLN A 42 10.479 -0.104 -12.713 1.00 0.00 C ATOM 580 CD GLN A 42 10.871 -1.481 -12.215 1.00 0.00 C ATOM 581 OE1 GLN A 42 11.593 -2.216 -12.890 1.00 0.00 O ATOM 582 NE2 GLN A 42 10.397 -1.839 -11.027 1.00 0.00 N ATOM 0 H GLN A 42 8.723 -2.068 -12.055 1.00 0.00 H new ATOM 0 HA GLN A 42 7.979 0.546 -11.855 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.199 -0.957 -14.201 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.127 0.791 -14.109 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.280 0.294 -13.336 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.373 0.569 -11.862 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.802 -1.199 -10.501 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.628 -2.754 -10.640 1.00 0.00 H new ATOM 591 N SER A 43 6.041 -1.040 -13.912 1.00 0.00 N ATOM 592 CA SER A 43 4.840 -0.935 -14.732 1.00 0.00 C ATOM 593 C SER A 43 3.638 -0.529 -13.885 1.00 0.00 C ATOM 594 O SER A 43 3.182 0.612 -13.944 1.00 0.00 O ATOM 595 CB SER A 43 4.558 -2.265 -15.434 1.00 0.00 C ATOM 596 OG SER A 43 5.561 -2.559 -16.391 1.00 0.00 O ATOM 0 H SER A 43 6.329 -1.997 -13.707 1.00 0.00 H new ATOM 0 HA SER A 43 5.010 -0.164 -15.484 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.509 -3.066 -14.696 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.585 -2.222 -15.924 1.00 0.00 H new ATOM 0 HG SER A 43 5.359 -3.414 -16.824 1.00 0.00 H new ATOM 602 N GLU A 44 3.129 -1.473 -13.099 1.00 0.00 N ATOM 603 CA GLU A 44 1.979 -1.214 -12.241 1.00 0.00 C ATOM 604 C GLU A 44 2.042 -2.064 -10.975 1.00 0.00 C ATOM 605 O GLU A 44 2.979 -2.841 -10.781 1.00 0.00 O ATOM 606 CB GLU A 44 0.678 -1.497 -12.995 1.00 0.00 C ATOM 607 CG GLU A 44 0.585 -2.914 -13.536 1.00 0.00 C ATOM 608 CD GLU A 44 1.559 -3.171 -14.669 1.00 0.00 C ATOM 609 OE1 GLU A 44 1.386 -2.570 -15.749 1.00 0.00 O ATOM 610 OE2 GLU A 44 2.495 -3.975 -14.474 1.00 0.00 O ATOM 0 H GLU A 44 3.495 -2.423 -13.039 1.00 0.00 H new ATOM 0 HA GLU A 44 2.002 -0.163 -11.953 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.165 -1.315 -12.329 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.587 -0.794 -13.823 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.778 -3.620 -12.729 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.431 -3.099 -13.886 1.00 0.00 H new ATOM 617 N LEU A 45 1.040 -1.912 -10.117 1.00 0.00 N ATOM 618 CA LEU A 45 0.980 -2.664 -8.869 1.00 0.00 C ATOM 619 C LEU A 45 0.373 -4.045 -9.094 1.00 0.00 C ATOM 620 O LEU A 45 -0.764 -4.168 -9.549 1.00 0.00 O ATOM 621 CB LEU A 45 0.163 -1.899 -7.827 1.00 0.00 C ATOM 622 CG LEU A 45 0.619 -2.046 -6.375 1.00 0.00 C ATOM 623 CD1 LEU A 45 -0.164 -1.106 -5.472 1.00 0.00 C ATOM 624 CD2 LEU A 45 0.464 -3.487 -5.911 1.00 0.00 C ATOM 0 H LEU A 45 0.257 -1.274 -10.263 1.00 0.00 H new ATOM 0 HA LEU A 45 1.998 -2.790 -8.501 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.181 -0.841 -8.087 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.874 -2.227 -7.896 1.00 0.00 H new ATOM 0 HG LEU A 45 1.674 -1.778 -6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.174 -1.225 -4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.002 -0.076 -5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.226 -1.342 -5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.793 -3.573 -4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.583 -3.782 -5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.070 -4.139 -6.540 1.00 0.00 H new ATOM 636 N VAL A 46 1.139 -5.083 -8.772 1.00 0.00 N ATOM 637 CA VAL A 46 0.675 -6.455 -8.936 1.00 0.00 C ATOM 638 C VAL A 46 0.444 -7.123 -7.585 1.00 0.00 C ATOM 639 O VAL A 46 1.194 -6.900 -6.633 1.00 0.00 O ATOM 640 CB VAL A 46 1.682 -7.295 -9.745 1.00 0.00 C ATOM 641 CG1 VAL A 46 1.169 -8.715 -9.926 1.00 0.00 C ATOM 642 CG2 VAL A 46 1.958 -6.643 -11.091 1.00 0.00 C ATOM 0 H VAL A 46 2.084 -4.999 -8.396 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.268 -6.407 -9.480 1.00 0.00 H new ATOM 0 HB VAL A 46 2.619 -7.341 -9.190 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.893 -9.293 -10.500 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.027 -9.178 -8.949 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.218 -8.693 -10.459 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.671 -7.249 -11.650 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.028 -6.565 -11.655 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.372 -5.647 -10.935 1.00 0.00 H new ATOM 652 N LEU A 47 -0.599 -7.942 -7.507 1.00 0.00 N ATOM 653 CA LEU A 47 -0.930 -8.644 -6.271 1.00 0.00 C ATOM 654 C LEU A 47 -1.313 -10.093 -6.554 1.00 0.00 C ATOM 655 O LEU A 47 -2.245 -10.363 -7.312 1.00 0.00 O ATOM 656 CB LEU A 47 -2.076 -7.933 -5.550 1.00 0.00 C ATOM 657 CG LEU A 47 -2.110 -8.088 -4.029 1.00 0.00 C ATOM 658 CD1 LEU A 47 -3.389 -7.492 -3.460 1.00 0.00 C ATOM 659 CD2 LEU A 47 -1.983 -9.553 -3.639 1.00 0.00 C ATOM 0 H LEU A 47 -1.230 -8.137 -8.284 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.048 -8.639 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.023 -6.870 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.018 -8.303 -5.954 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.263 -7.546 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.396 -7.612 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.438 -6.432 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.251 -8.005 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.009 -9.644 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.810 -10.117 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.039 -9.949 -4.014 1.00 0.00 H new ATOM 671 N HIS A 48 -0.589 -11.022 -5.938 1.00 0.00 N ATOM 672 CA HIS A 48 -0.855 -12.444 -6.121 1.00 0.00 C ATOM 673 C HIS A 48 -1.831 -12.955 -5.065 1.00 0.00 C ATOM 674 O HIS A 48 -1.756 -12.570 -3.897 1.00 0.00 O ATOM 675 CB HIS A 48 0.449 -13.241 -6.055 1.00 0.00 C ATOM 676 CG HIS A 48 1.417 -12.895 -7.143 1.00 0.00 C ATOM 677 ND1 HIS A 48 1.294 -13.358 -8.436 1.00 0.00 N ATOM 678 CD2 HIS A 48 2.530 -12.124 -7.126 1.00 0.00 C ATOM 679 CE1 HIS A 48 2.290 -12.889 -9.166 1.00 0.00 C ATOM 680 NE2 HIS A 48 3.054 -12.137 -8.395 1.00 0.00 N ATOM 0 H HIS A 48 0.186 -10.816 -5.308 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.306 -12.580 -7.104 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.923 -13.067 -5.089 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.218 -14.305 -6.110 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.931 -11.597 -6.273 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.452 -13.087 -10.215 1.00 0.00 H new ATOM 0 HE2 HIS A 48 3.896 -11.646 -8.694 1.00 0.00 H new ATOM 689 N LEU A 49 -2.746 -13.822 -5.482 1.00 0.00 N ATOM 690 CA LEU A 49 -3.738 -14.385 -4.573 1.00 0.00 C ATOM 691 C LEU A 49 -3.899 -15.884 -4.803 1.00 0.00 C ATOM 692 O LEU A 49 -4.275 -16.319 -5.891 1.00 0.00 O ATOM 693 CB LEU A 49 -5.084 -13.682 -4.757 1.00 0.00 C ATOM 694 CG LEU A 49 -5.123 -12.199 -4.389 1.00 0.00 C ATOM 695 CD1 LEU A 49 -6.258 -11.497 -5.119 1.00 0.00 C ATOM 696 CD2 LEU A 49 -5.265 -12.025 -2.884 1.00 0.00 C ATOM 0 H LEU A 49 -2.822 -14.151 -6.445 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.389 -14.228 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.385 -13.785 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.829 -14.204 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.183 -11.743 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.270 -10.442 -4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.111 -11.590 -6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.207 -11.955 -4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.291 -10.963 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.189 -12.496 -2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.417 -12.491 -2.382 1.00 0.00 H new ATOM 789 N ALA A 54 -4.601 -12.961 -10.652 1.00 0.00 N ATOM 790 CA ALA A 54 -3.748 -11.863 -10.214 1.00 0.00 C ATOM 791 C ALA A 54 -4.353 -10.515 -10.591 1.00 0.00 C ATOM 792 O ALA A 54 -4.691 -10.277 -11.750 1.00 0.00 O ATOM 793 CB ALA A 54 -2.356 -12.005 -10.813 1.00 0.00 C ATOM 0 HA ALA A 54 -3.670 -11.906 -9.128 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.730 -11.178 -10.478 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.916 -12.948 -10.490 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.425 -11.990 -11.901 1.00 0.00 H new ATOM 799 N VAL A 55 -4.488 -9.636 -9.603 1.00 0.00 N ATOM 800 CA VAL A 55 -5.052 -8.310 -9.831 1.00 0.00 C ATOM 801 C VAL A 55 -3.953 -7.270 -10.016 1.00 0.00 C ATOM 802 O VAL A 55 -2.951 -7.276 -9.301 1.00 0.00 O ATOM 803 CB VAL A 55 -5.961 -7.879 -8.664 1.00 0.00 C ATOM 804 CG1 VAL A 55 -6.655 -6.565 -8.986 1.00 0.00 C ATOM 805 CG2 VAL A 55 -6.978 -8.967 -8.352 1.00 0.00 C ATOM 0 H VAL A 55 -4.215 -9.818 -8.637 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.647 -8.371 -10.742 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.342 -7.728 -7.780 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.293 -6.276 -8.151 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.907 -5.791 -9.156 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.263 -6.685 -9.882 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.612 -8.646 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.595 -9.152 -9.232 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.457 -9.884 -8.075 1.00 0.00 H new ATOM 815 N ARG A 56 -4.148 -6.376 -10.980 1.00 0.00 N ATOM 816 CA ARG A 56 -3.174 -5.329 -11.260 1.00 0.00 C ATOM 817 C ARG A 56 -3.809 -3.947 -11.133 1.00 0.00 C ATOM 818 O ARG A 56 -4.911 -3.712 -11.627 1.00 0.00 O ATOM 819 CB ARG A 56 -2.591 -5.507 -12.663 1.00 0.00 C ATOM 820 CG ARG A 56 -2.106 -6.920 -12.947 1.00 0.00 C ATOM 821 CD ARG A 56 -2.018 -7.189 -14.441 1.00 0.00 C ATOM 822 NE ARG A 56 -1.224 -8.379 -14.736 1.00 0.00 N ATOM 823 CZ ARG A 56 -0.907 -8.763 -15.967 1.00 0.00 C ATOM 824 NH1 ARG A 56 -1.313 -8.055 -17.012 1.00 0.00 N ATOM 825 NH2 ARG A 56 -0.181 -9.858 -16.156 1.00 0.00 N ATOM 0 H ARG A 56 -4.972 -6.356 -11.580 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.371 -5.410 -10.527 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.349 -5.237 -13.399 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.760 -4.814 -12.792 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.127 -7.068 -12.491 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.784 -7.638 -12.486 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.022 -7.313 -14.847 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.577 -6.326 -14.940 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.895 -8.946 -13.954 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.871 -7.213 -16.872 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.068 -8.353 -17.956 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.134 -10.406 -15.355 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.062 -10.152 -17.102 1.00 0.00 H new ATOM 839 N TRP A 57 -3.106 -3.038 -10.468 1.00 0.00 N ATOM 840 CA TRP A 57 -3.601 -1.680 -10.275 1.00 0.00 C ATOM 841 C TRP A 57 -2.560 -0.654 -10.711 1.00 0.00 C ATOM 842 O TRP A 57 -1.502 -0.510 -10.098 1.00 0.00 O ATOM 843 CB TRP A 57 -3.975 -1.454 -8.810 1.00 0.00 C ATOM 844 CG TRP A 57 -5.126 -2.299 -8.354 1.00 0.00 C ATOM 845 CD1 TRP A 57 -6.430 -2.188 -8.745 1.00 0.00 C ATOM 846 CD2 TRP A 57 -5.077 -3.382 -7.419 1.00 0.00 C ATOM 847 NE1 TRP A 57 -7.194 -3.137 -8.110 1.00 0.00 N ATOM 848 CE2 TRP A 57 -6.388 -3.883 -7.292 1.00 0.00 C ATOM 849 CE3 TRP A 57 -4.053 -3.980 -6.679 1.00 0.00 C ATOM 850 CZ2 TRP A 57 -6.698 -4.950 -6.454 1.00 0.00 C ATOM 851 CZ3 TRP A 57 -4.363 -5.039 -5.848 1.00 0.00 C ATOM 852 CH2 TRP A 57 -5.677 -5.516 -5.741 1.00 0.00 C ATOM 0 H TRP A 57 -2.191 -3.216 -10.053 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.490 -1.553 -10.893 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -3.108 -1.665 -8.184 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -4.225 -0.403 -8.664 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -6.805 -1.461 -9.450 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -8.199 -3.265 -8.229 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.037 -3.620 -6.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.710 -5.318 -6.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.580 -5.508 -5.271 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.887 -6.346 -5.083 1.00 0.00 H new ATOM 863 N PRO A 58 -2.865 0.077 -11.793 1.00 0.00 N ATOM 864 CA PRO A 58 -1.968 1.103 -12.334 1.00 0.00 C ATOM 865 C PRO A 58 -1.863 2.320 -11.421 1.00 0.00 C ATOM 866 O PRO A 58 -2.869 2.818 -10.916 1.00 0.00 O ATOM 867 CB PRO A 58 -2.626 1.486 -13.662 1.00 0.00 C ATOM 868 CG PRO A 58 -4.068 1.159 -13.478 1.00 0.00 C ATOM 869 CD PRO A 58 -4.108 -0.042 -12.573 1.00 0.00 C ATOM 0 HA PRO A 58 -0.947 0.737 -12.439 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.485 2.544 -13.883 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.196 0.927 -14.493 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.605 1.998 -13.037 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -4.544 0.943 -14.434 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.988 -0.032 -11.930 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.139 -0.972 -13.141 1.00 0.00 H new ATOM 877 N TYR A 59 -0.639 2.794 -11.214 1.00 0.00 N ATOM 878 CA TYR A 59 -0.402 3.952 -10.360 1.00 0.00 C ATOM 879 C TYR A 59 -1.068 5.198 -10.936 1.00 0.00 C ATOM 880 O TYR A 59 -1.751 5.936 -10.225 1.00 0.00 O ATOM 881 CB TYR A 59 1.099 4.192 -10.195 1.00 0.00 C ATOM 882 CG TYR A 59 1.890 2.928 -9.940 1.00 0.00 C ATOM 883 CD1 TYR A 59 1.501 2.029 -8.955 1.00 0.00 C ATOM 884 CD2 TYR A 59 3.026 2.634 -10.684 1.00 0.00 C ATOM 885 CE1 TYR A 59 2.221 0.874 -8.718 1.00 0.00 C ATOM 886 CE2 TYR A 59 3.751 1.481 -10.455 1.00 0.00 C ATOM 887 CZ TYR A 59 3.345 0.604 -9.471 1.00 0.00 C ATOM 888 OH TYR A 59 4.065 -0.545 -9.239 1.00 0.00 O ATOM 0 H TYR A 59 0.204 2.394 -11.626 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.839 3.747 -9.383 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.482 4.675 -11.094 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.259 4.884 -9.368 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.621 2.236 -8.365 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.348 3.319 -11.455 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.906 0.186 -7.947 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.631 1.267 -11.043 1.00 0.00 H new ATOM 0 HH TYR A 59 4.705 -0.683 -9.968 1.00 0.00 H new ATOM 898 N LEU A 60 -0.864 5.426 -12.228 1.00 0.00 N ATOM 899 CA LEU A 60 -1.444 6.583 -12.902 1.00 0.00 C ATOM 900 C LEU A 60 -2.913 6.750 -12.529 1.00 0.00 C ATOM 901 O LEU A 60 -3.445 7.861 -12.542 1.00 0.00 O ATOM 902 CB LEU A 60 -1.304 6.437 -14.418 1.00 0.00 C ATOM 903 CG LEU A 60 -1.320 5.007 -14.960 1.00 0.00 C ATOM 904 CD1 LEU A 60 -1.921 4.972 -16.356 1.00 0.00 C ATOM 905 CD2 LEU A 60 0.085 4.424 -14.968 1.00 0.00 C ATOM 0 H LEU A 60 -0.301 4.825 -12.831 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.903 7.472 -12.577 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.113 6.993 -14.892 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.370 6.909 -14.724 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.941 4.397 -14.304 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.924 3.946 -16.725 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.943 5.348 -16.321 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.327 5.596 -17.024 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.054 3.406 -15.357 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.729 5.035 -15.601 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.480 4.413 -13.952 1.00 0.00 H new ATOM 917 N CYS A 61 -3.564 5.640 -12.196 1.00 0.00 N ATOM 918 CA CYS A 61 -4.972 5.664 -11.818 1.00 0.00 C ATOM 919 C CYS A 61 -5.129 5.913 -10.321 1.00 0.00 C ATOM 920 O CYS A 61 -6.147 6.441 -9.872 1.00 0.00 O ATOM 921 CB CYS A 61 -5.647 4.346 -12.201 1.00 0.00 C ATOM 922 SG CYS A 61 -5.645 3.106 -10.885 1.00 0.00 S ATOM 0 H CYS A 61 -3.139 4.713 -12.180 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.453 6.480 -12.356 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.677 4.549 -12.493 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.144 3.933 -13.075 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.423 2.735 -10.641 1.00 0.00 H new ATOM 928 N LEU A 62 -4.115 5.528 -9.553 1.00 0.00 N ATOM 929 CA LEU A 62 -4.141 5.708 -8.106 1.00 0.00 C ATOM 930 C LEU A 62 -4.278 7.183 -7.743 1.00 0.00 C ATOM 931 O LEU A 62 -3.309 7.826 -7.338 1.00 0.00 O ATOM 932 CB LEU A 62 -2.870 5.133 -7.478 1.00 0.00 C ATOM 933 CG LEU A 62 -2.756 3.608 -7.471 1.00 0.00 C ATOM 934 CD1 LEU A 62 -1.493 3.170 -6.746 1.00 0.00 C ATOM 935 CD2 LEU A 62 -3.986 2.984 -6.829 1.00 0.00 C ATOM 0 H LEU A 62 -3.265 5.090 -9.908 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.007 5.174 -7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.010 5.539 -8.010 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.805 5.487 -6.449 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.695 3.263 -8.503 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.429 2.082 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.621 3.587 -7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.522 3.527 -5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.887 1.898 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.079 3.336 -5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.875 3.269 -7.392 1.00 0.00 H new ATOM 947 N ARG A 63 -5.488 7.713 -7.888 1.00 0.00 N ATOM 948 CA ARG A 63 -5.752 9.112 -7.575 1.00 0.00 C ATOM 949 C ARG A 63 -4.936 9.562 -6.366 1.00 0.00 C ATOM 950 O ARG A 63 -4.384 10.662 -6.352 1.00 0.00 O ATOM 951 CB ARG A 63 -7.243 9.324 -7.305 1.00 0.00 C ATOM 952 CG ARG A 63 -7.718 10.739 -7.590 1.00 0.00 C ATOM 953 CD ARG A 63 -9.229 10.796 -7.758 1.00 0.00 C ATOM 954 NE ARG A 63 -9.915 10.980 -6.483 1.00 0.00 N ATOM 955 CZ ARG A 63 -11.229 10.858 -6.331 1.00 0.00 C ATOM 956 NH1 ARG A 63 -11.994 10.552 -7.369 1.00 0.00 N ATOM 957 NH2 ARG A 63 -11.780 11.041 -5.137 1.00 0.00 N ATOM 0 H ARG A 63 -6.301 7.194 -8.220 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.457 9.713 -8.435 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.817 8.627 -7.916 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.453 9.082 -6.263 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.416 11.396 -6.775 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.236 11.111 -8.494 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.488 11.614 -8.430 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.576 9.875 -8.227 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.355 11.215 -5.664 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.574 10.409 -8.288 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.003 10.459 -7.249 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.194 11.275 -4.336 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.789 10.947 -5.021 1.00 0.00 H new ATOM 971 N ARG A 64 -4.866 8.704 -5.354 1.00 0.00 N ATOM 972 CA ARG A 64 -4.120 9.013 -4.140 1.00 0.00 C ATOM 973 C ARG A 64 -3.692 7.735 -3.425 1.00 0.00 C ATOM 974 O ARG A 64 -4.438 6.757 -3.378 1.00 0.00 O ATOM 975 CB ARG A 64 -4.965 9.877 -3.202 1.00 0.00 C ATOM 976 CG ARG A 64 -6.452 9.565 -3.262 1.00 0.00 C ATOM 977 CD ARG A 64 -7.262 10.556 -2.441 1.00 0.00 C ATOM 978 NE ARG A 64 -8.619 10.078 -2.191 1.00 0.00 N ATOM 979 CZ ARG A 64 -9.631 10.876 -1.868 1.00 0.00 C ATOM 980 NH1 ARG A 64 -9.439 12.183 -1.756 1.00 0.00 N ATOM 981 NH2 ARG A 64 -10.838 10.367 -1.656 1.00 0.00 N ATOM 0 H ARG A 64 -5.317 7.789 -5.350 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.225 9.567 -4.425 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.614 9.739 -2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.812 10.927 -3.452 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.788 9.589 -4.299 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.628 8.555 -2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.760 10.735 -1.490 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.305 11.511 -2.964 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.800 9.077 -2.269 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.513 12.578 -1.918 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.218 12.793 -1.508 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.990 9.362 -1.741 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.614 10.981 -1.408 1.00 0.00 H new ATOM 995 N TYR A 65 -2.485 7.751 -2.869 1.00 0.00 N ATOM 996 CA TYR A 65 -1.956 6.593 -2.158 1.00 0.00 C ATOM 997 C TYR A 65 -1.199 7.022 -0.905 1.00 0.00 C ATOM 998 O TYR A 65 -0.402 7.958 -0.938 1.00 0.00 O ATOM 999 CB TYR A 65 -1.035 5.784 -3.072 1.00 0.00 C ATOM 1000 CG TYR A 65 0.285 6.465 -3.358 1.00 0.00 C ATOM 1001 CD1 TYR A 65 0.402 7.394 -4.384 1.00 0.00 C ATOM 1002 CD2 TYR A 65 1.415 6.178 -2.602 1.00 0.00 C ATOM 1003 CE1 TYR A 65 1.605 8.018 -4.649 1.00 0.00 C ATOM 1004 CE2 TYR A 65 2.622 6.798 -2.859 1.00 0.00 C ATOM 1005 CZ TYR A 65 2.712 7.717 -3.883 1.00 0.00 C ATOM 1006 OH TYR A 65 3.914 8.336 -4.143 1.00 0.00 O ATOM 0 H TYR A 65 -1.855 8.553 -2.897 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.797 5.969 -1.856 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.842 4.814 -2.613 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.548 5.594 -4.015 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.463 7.632 -4.985 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.348 5.458 -1.800 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.679 8.737 -5.451 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.491 6.564 -2.261 1.00 0.00 H new ATOM 0 HH TYR A 65 3.857 9.281 -3.890 1.00 0.00 H new ATOM 1016 N GLY A 66 -1.454 6.327 0.200 1.00 0.00 N ATOM 1017 CA GLY A 66 -0.789 6.650 1.449 1.00 0.00 C ATOM 1018 C GLY A 66 -0.408 5.413 2.239 1.00 0.00 C ATOM 1019 O GLY A 66 -0.695 4.290 1.823 1.00 0.00 O ATOM 0 H GLY A 66 -2.109 5.547 0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.107 7.234 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.444 7.277 2.054 1.00 0.00 H new ATOM 1023 N TYR A 67 0.240 5.619 3.380 1.00 0.00 N ATOM 1024 CA TYR A 67 0.665 4.511 4.228 1.00 0.00 C ATOM 1025 C TYR A 67 0.792 4.956 5.682 1.00 0.00 C ATOM 1026 O TYR A 67 1.489 5.923 5.988 1.00 0.00 O ATOM 1027 CB TYR A 67 2.000 3.948 3.737 1.00 0.00 C ATOM 1028 CG TYR A 67 3.205 4.640 4.333 1.00 0.00 C ATOM 1029 CD1 TYR A 67 3.409 6.002 4.152 1.00 0.00 C ATOM 1030 CD2 TYR A 67 4.140 3.931 5.077 1.00 0.00 C ATOM 1031 CE1 TYR A 67 4.509 6.639 4.694 1.00 0.00 C ATOM 1032 CE2 TYR A 67 5.242 4.559 5.624 1.00 0.00 C ATOM 1033 CZ TYR A 67 5.422 5.913 5.430 1.00 0.00 C ATOM 1034 OH TYR A 67 6.519 6.542 5.972 1.00 0.00 O ATOM 0 H TYR A 67 0.483 6.542 3.739 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.094 3.731 4.170 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.047 2.886 3.976 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.043 4.033 2.651 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.695 6.573 3.577 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.003 2.871 5.230 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.653 7.699 4.542 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.959 3.993 6.200 1.00 0.00 H new ATOM 0 HH TYR A 67 6.929 5.961 6.647 1.00 0.00 H new ATOM 1044 N ASP A 68 0.113 4.242 6.573 1.00 0.00 N ATOM 1045 CA ASP A 68 0.150 4.560 7.995 1.00 0.00 C ATOM 1046 C ASP A 68 1.363 3.921 8.664 1.00 0.00 C ATOM 1047 O ASP A 68 2.200 3.310 8.000 1.00 0.00 O ATOM 1048 CB ASP A 68 -1.133 4.087 8.679 1.00 0.00 C ATOM 1049 CG ASP A 68 -1.492 4.931 9.886 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -2.114 5.998 9.699 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -1.150 4.527 11.017 1.00 0.00 O ATOM 0 H ASP A 68 -0.470 3.439 6.335 1.00 0.00 H new ATOM 0 HA ASP A 68 0.229 5.642 8.098 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.954 4.115 7.963 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.015 3.048 8.988 1.00 0.00 H new ATOM 1056 N SER A 69 1.451 4.066 9.982 1.00 0.00 N ATOM 1057 CA SER A 69 2.564 3.507 10.741 1.00 0.00 C ATOM 1058 C SER A 69 2.701 2.010 10.481 1.00 0.00 C ATOM 1059 O SER A 69 3.784 1.520 10.167 1.00 0.00 O ATOM 1060 CB SER A 69 2.369 3.761 12.236 1.00 0.00 C ATOM 1061 OG SER A 69 3.601 3.690 12.931 1.00 0.00 O ATOM 0 H SER A 69 0.765 4.566 10.547 1.00 0.00 H new ATOM 0 HA SER A 69 3.479 4.000 10.413 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.920 4.743 12.385 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.675 3.027 12.645 1.00 0.00 H new ATOM 0 HG SER A 69 3.449 3.858 13.884 1.00 0.00 H new ATOM 1067 N ASN A 70 1.592 1.289 10.615 1.00 0.00 N ATOM 1068 CA ASN A 70 1.587 -0.153 10.396 1.00 0.00 C ATOM 1069 C ASN A 70 0.465 -0.554 9.443 1.00 0.00 C ATOM 1070 O ASN A 70 0.072 -1.720 9.386 1.00 0.00 O ATOM 1071 CB ASN A 70 1.429 -0.891 11.727 1.00 0.00 C ATOM 1072 CG ASN A 70 1.460 -2.398 11.559 1.00 0.00 C ATOM 1073 OD1 ASN A 70 2.388 -2.949 10.967 1.00 0.00 O ATOM 1074 ND2 ASN A 70 0.441 -3.072 12.080 1.00 0.00 N ATOM 0 H ASN A 70 0.686 1.680 10.874 1.00 0.00 H new ATOM 0 HA ASN A 70 2.540 -0.431 9.945 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.227 -0.587 12.405 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.487 -0.599 12.192 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.406 -4.088 11.998 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.307 -2.574 12.563 1.00 0.00 H new ATOM 1081 N LEU A 71 -0.046 0.419 8.697 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.123 0.168 7.746 1.00 0.00 C ATOM 1083 C LEU A 71 -0.795 0.767 6.382 1.00 0.00 C ATOM 1084 O LEU A 71 -0.023 1.721 6.280 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.438 0.749 8.268 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.705 0.310 7.534 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -4.157 -1.058 8.022 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -4.812 1.337 7.719 1.00 0.00 C ATOM 0 H LEU A 71 0.268 1.389 8.732 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.230 -0.911 7.633 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.539 0.479 9.319 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.375 1.836 8.223 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.479 0.237 6.470 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.060 -1.354 7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.370 -1.789 7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.365 -1.012 9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.706 1.008 7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.037 1.442 8.780 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.487 2.298 7.320 1.00 0.00 H new ATOM 1100 N PHE A 72 -1.389 0.204 5.335 1.00 0.00 N ATOM 1101 CA PHE A 72 -1.161 0.683 3.977 1.00 0.00 C ATOM 1102 C PHE A 72 -2.438 0.590 3.146 1.00 0.00 C ATOM 1103 O PHE A 72 -2.970 -0.497 2.925 1.00 0.00 O ATOM 1104 CB PHE A 72 -0.045 -0.123 3.309 1.00 0.00 C ATOM 1105 CG PHE A 72 -0.039 -0.012 1.812 1.00 0.00 C ATOM 1106 CD1 PHE A 72 0.583 1.055 1.185 1.00 0.00 C ATOM 1107 CD2 PHE A 72 -0.656 -0.976 1.030 1.00 0.00 C ATOM 1108 CE1 PHE A 72 0.589 1.160 -0.193 1.00 0.00 C ATOM 1109 CE2 PHE A 72 -0.653 -0.877 -0.349 1.00 0.00 C ATOM 1110 CZ PHE A 72 -0.028 0.192 -0.961 1.00 0.00 C ATOM 0 H PHE A 72 -2.032 -0.585 5.401 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.860 1.729 4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.917 0.215 3.694 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.149 -1.172 3.587 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.069 1.814 1.780 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.145 -1.814 1.504 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.076 1.998 -0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.139 -1.634 -0.947 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.022 0.271 -2.038 1.00 0.00 H new ATOM 1120 N SER A 73 -2.924 1.740 2.689 1.00 0.00 N ATOM 1121 CA SER A 73 -4.140 1.790 1.886 1.00 0.00 C ATOM 1122 C SER A 73 -3.969 2.732 0.699 1.00 0.00 C ATOM 1123 O SER A 73 -3.176 3.673 0.747 1.00 0.00 O ATOM 1124 CB SER A 73 -5.324 2.242 2.744 1.00 0.00 C ATOM 1125 OG SER A 73 -6.550 1.778 2.206 1.00 0.00 O ATOM 0 H SER A 73 -2.494 2.649 2.861 1.00 0.00 H new ATOM 0 HA SER A 73 -4.337 0.787 1.506 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.204 1.867 3.761 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.339 3.330 2.805 1.00 0.00 H new ATOM 0 HG SER A 73 -6.378 1.291 1.373 1.00 0.00 H new ATOM 1131 N PHE A 74 -4.718 2.472 -0.368 1.00 0.00 N ATOM 1132 CA PHE A 74 -4.649 3.296 -1.569 1.00 0.00 C ATOM 1133 C PHE A 74 -5.995 3.323 -2.288 1.00 0.00 C ATOM 1134 O PHE A 74 -6.846 2.463 -2.065 1.00 0.00 O ATOM 1135 CB PHE A 74 -3.566 2.769 -2.513 1.00 0.00 C ATOM 1136 CG PHE A 74 -3.787 1.348 -2.946 1.00 0.00 C ATOM 1137 CD1 PHE A 74 -4.692 1.049 -3.951 1.00 0.00 C ATOM 1138 CD2 PHE A 74 -3.089 0.311 -2.348 1.00 0.00 C ATOM 1139 CE1 PHE A 74 -4.898 -0.258 -4.351 1.00 0.00 C ATOM 1140 CE2 PHE A 74 -3.290 -0.998 -2.744 1.00 0.00 C ATOM 1141 CZ PHE A 74 -4.195 -1.282 -3.747 1.00 0.00 C ATOM 0 H PHE A 74 -5.379 1.698 -0.425 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.396 4.313 -1.268 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.523 3.407 -3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.597 2.843 -2.019 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.243 1.846 -4.428 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -2.380 0.528 -1.563 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.608 -0.478 -5.135 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.740 -1.797 -2.270 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.353 -2.304 -4.059 1.00 0.00 H new ATOM 1151 N GLU A 75 -6.180 4.318 -3.149 1.00 0.00 N ATOM 1152 CA GLU A 75 -7.422 4.459 -3.899 1.00 0.00 C ATOM 1153 C GLU A 75 -7.198 4.175 -5.382 1.00 0.00 C ATOM 1154 O GLU A 75 -6.309 4.751 -6.007 1.00 0.00 O ATOM 1155 CB GLU A 75 -7.997 5.865 -3.719 1.00 0.00 C ATOM 1156 CG GLU A 75 -9.364 6.051 -4.356 1.00 0.00 C ATOM 1157 CD GLU A 75 -9.870 7.476 -4.245 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -9.217 8.382 -4.803 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -10.919 7.685 -3.601 1.00 0.00 O ATOM 0 H GLU A 75 -5.485 5.039 -3.345 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.134 3.731 -3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.069 6.085 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.304 6.589 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.312 5.769 -5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.077 5.378 -3.880 1.00 0.00 H new ATOM 1166 N SER A 76 -8.012 3.282 -5.937 1.00 0.00 N ATOM 1167 CA SER A 76 -7.901 2.918 -7.345 1.00 0.00 C ATOM 1168 C SER A 76 -8.980 3.610 -8.172 1.00 0.00 C ATOM 1169 O SER A 76 -10.146 3.650 -7.782 1.00 0.00 O ATOM 1170 CB SER A 76 -8.009 1.401 -7.511 1.00 0.00 C ATOM 1171 OG SER A 76 -6.831 0.754 -7.061 1.00 0.00 O ATOM 0 H SER A 76 -8.755 2.798 -5.433 1.00 0.00 H new ATOM 0 HA SER A 76 -6.926 3.247 -7.704 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.868 1.031 -6.951 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.183 1.158 -8.559 1.00 0.00 H new ATOM 0 HG SER A 76 -6.717 -0.091 -7.544 1.00 0.00 H new ATOM 1177 N GLY A 77 -8.581 4.154 -9.318 1.00 0.00 N ATOM 1178 CA GLY A 77 -9.525 4.837 -10.183 1.00 0.00 C ATOM 1179 C GLY A 77 -10.732 3.982 -10.513 1.00 0.00 C ATOM 1180 O GLY A 77 -10.897 2.892 -9.966 1.00 0.00 O ATOM 0 H GLY A 77 -7.621 4.134 -9.662 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.856 5.756 -9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.024 5.125 -11.107 1.00 0.00 H new ATOM 1184 N ARG A 78 -11.579 4.478 -11.410 1.00 0.00 N ATOM 1185 CA ARG A 78 -12.778 3.753 -11.811 1.00 0.00 C ATOM 1186 C ARG A 78 -12.528 2.948 -13.082 1.00 0.00 C ATOM 1187 O ARG A 78 -13.279 2.027 -13.403 1.00 0.00 O ATOM 1188 CB ARG A 78 -13.938 4.726 -12.031 1.00 0.00 C ATOM 1189 CG ARG A 78 -13.673 5.753 -13.120 1.00 0.00 C ATOM 1190 CD ARG A 78 -14.968 6.339 -13.660 1.00 0.00 C ATOM 1191 NE ARG A 78 -15.551 5.507 -14.709 1.00 0.00 N ATOM 1192 CZ ARG A 78 -16.399 5.963 -15.624 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -16.760 7.239 -15.619 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -16.886 5.143 -16.546 1.00 0.00 N ATOM 0 H ARG A 78 -11.456 5.379 -11.872 1.00 0.00 H new ATOM 0 HA ARG A 78 -13.039 3.062 -11.010 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -14.833 4.159 -12.288 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.147 5.246 -11.096 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.048 6.553 -12.723 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.116 5.287 -13.933 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -15.684 6.449 -12.845 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -14.777 7.337 -14.053 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.293 4.521 -14.741 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.386 7.872 -14.912 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -17.411 7.588 -16.322 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.609 4.161 -16.553 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -17.537 5.494 -17.248 1.00 0.00 H new ATOM 1208 N ARG A 79 -11.467 3.301 -13.801 1.00 0.00 N ATOM 1209 CA ARG A 79 -11.119 2.612 -15.037 1.00 0.00 C ATOM 1210 C ARG A 79 -10.160 1.457 -14.765 1.00 0.00 C ATOM 1211 O ARG A 79 -8.986 1.511 -15.135 1.00 0.00 O ATOM 1212 CB ARG A 79 -10.487 3.590 -16.030 1.00 0.00 C ATOM 1213 CG ARG A 79 -11.501 4.449 -16.768 1.00 0.00 C ATOM 1214 CD ARG A 79 -10.985 4.871 -18.135 1.00 0.00 C ATOM 1215 NE ARG A 79 -10.180 6.087 -18.064 1.00 0.00 N ATOM 1216 CZ ARG A 79 -10.686 7.290 -17.818 1.00 0.00 C ATOM 1217 NH1 ARG A 79 -11.989 7.437 -17.620 1.00 0.00 N ATOM 1218 NH2 ARG A 79 -9.889 8.350 -17.769 1.00 0.00 N ATOM 0 H ARG A 79 -10.834 4.060 -13.548 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.035 2.207 -15.468 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.794 4.240 -15.496 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.901 3.028 -16.758 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.432 3.895 -16.885 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.729 5.335 -16.175 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.388 4.065 -18.562 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.828 5.033 -18.807 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.174 6.008 -18.211 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.605 6.625 -17.656 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.375 8.362 -17.431 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.886 8.241 -17.920 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.279 9.273 -17.580 1.00 0.00 H new ATOM 1232 N CYS A 80 -10.667 0.415 -14.115 1.00 0.00 N ATOM 1233 CA CYS A 80 -9.855 -0.753 -13.791 1.00 0.00 C ATOM 1234 C CYS A 80 -10.736 -1.945 -13.433 1.00 0.00 C ATOM 1235 O CYS A 80 -11.897 -1.780 -13.060 1.00 0.00 O ATOM 1236 CB CYS A 80 -8.908 -0.436 -12.633 1.00 0.00 C ATOM 1237 SG CYS A 80 -9.578 0.738 -11.432 1.00 0.00 S ATOM 0 H CYS A 80 -11.636 0.355 -13.802 1.00 0.00 H new ATOM 0 HA CYS A 80 -9.266 -1.012 -14.671 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.658 -1.363 -12.118 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.978 -0.035 -13.037 1.00 0.00 H new ATOM 0 HG CYS A 80 -10.001 1.799 -12.052 1.00 0.00 H new ATOM 1243 N GLN A 81 -10.176 -3.144 -13.551 1.00 0.00 N ATOM 1244 CA GLN A 81 -10.912 -4.364 -13.241 1.00 0.00 C ATOM 1245 C GLN A 81 -11.747 -4.190 -11.977 1.00 0.00 C ATOM 1246 O GLN A 81 -12.971 -4.063 -12.040 1.00 0.00 O ATOM 1247 CB GLN A 81 -9.947 -5.539 -13.071 1.00 0.00 C ATOM 1248 CG GLN A 81 -10.556 -6.727 -12.346 1.00 0.00 C ATOM 1249 CD GLN A 81 -9.866 -8.034 -12.684 1.00 0.00 C ATOM 1250 OE1 GLN A 81 -10.114 -8.628 -13.733 1.00 0.00 O ATOM 1251 NE2 GLN A 81 -8.992 -8.489 -11.793 1.00 0.00 N ATOM 0 H GLN A 81 -9.216 -3.297 -13.859 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.584 -4.573 -14.073 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.604 -5.861 -14.054 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.069 -5.200 -12.522 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.500 -6.559 -11.270 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.613 -6.802 -12.603 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.817 -7.964 -10.936 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.496 -9.363 -11.966 1.00 0.00 H new ATOM 1260 N THR A 82 -11.079 -4.186 -10.828 1.00 0.00 N ATOM 1261 CA THR A 82 -11.759 -4.029 -9.549 1.00 0.00 C ATOM 1262 C THR A 82 -12.769 -2.888 -9.599 1.00 0.00 C ATOM 1263 O THR A 82 -13.928 -3.055 -9.222 1.00 0.00 O ATOM 1264 CB THR A 82 -10.757 -3.763 -8.409 1.00 0.00 C ATOM 1265 OG1 THR A 82 -9.848 -2.724 -8.788 1.00 0.00 O ATOM 1266 CG2 THR A 82 -9.979 -5.025 -8.067 1.00 0.00 C ATOM 0 H THR A 82 -10.067 -4.290 -10.757 1.00 0.00 H new ATOM 0 HA THR A 82 -12.282 -4.965 -9.352 1.00 0.00 H new ATOM 0 HB THR A 82 -11.318 -3.451 -7.528 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.696 -2.128 -8.025 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.278 -4.813 -7.260 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.672 -5.805 -7.750 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.429 -5.363 -8.945 1.00 0.00 H new ATOM 1274 N GLY A 83 -12.320 -1.727 -10.068 1.00 0.00 N ATOM 1275 CA GLY A 83 -13.198 -0.575 -10.159 1.00 0.00 C ATOM 1276 C GLY A 83 -12.916 0.456 -9.085 1.00 0.00 C ATOM 1277 O GLY A 83 -11.986 0.298 -8.295 1.00 0.00 O ATOM 0 H GLY A 83 -11.365 -1.564 -10.386 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.086 -0.113 -11.140 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.234 -0.905 -10.079 1.00 0.00 H new ATOM 1281 N GLN A 84 -13.720 1.514 -9.056 1.00 0.00 N ATOM 1282 CA GLN A 84 -13.550 2.575 -8.071 1.00 0.00 C ATOM 1283 C GLN A 84 -13.718 2.037 -6.655 1.00 0.00 C ATOM 1284 O GLN A 84 -14.767 1.496 -6.306 1.00 0.00 O ATOM 1285 CB GLN A 84 -14.554 3.701 -8.325 1.00 0.00 C ATOM 1286 CG GLN A 84 -14.231 4.985 -7.578 1.00 0.00 C ATOM 1287 CD GLN A 84 -15.220 6.096 -7.871 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -16.237 6.233 -7.191 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -14.926 6.896 -8.889 1.00 0.00 N ATOM 0 H GLN A 84 -14.495 1.659 -9.703 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.539 2.970 -8.171 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -14.588 3.911 -9.394 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.548 3.362 -8.035 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -14.222 4.785 -6.507 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.228 5.316 -7.849 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -14.072 6.746 -9.426 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -15.554 7.661 -9.134 1.00 0.00 H new ATOM 1298 N GLY A 85 -12.677 2.187 -5.841 1.00 0.00 N ATOM 1299 CA GLY A 85 -12.731 1.710 -4.472 1.00 0.00 C ATOM 1300 C GLY A 85 -11.396 1.828 -3.764 1.00 0.00 C ATOM 1301 O GLY A 85 -10.346 1.859 -4.407 1.00 0.00 O ATOM 0 H GLY A 85 -11.797 2.630 -6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.482 2.277 -3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.051 0.668 -4.466 1.00 0.00 H new ATOM 1305 N ILE A 86 -11.435 1.897 -2.438 1.00 0.00 N ATOM 1306 CA ILE A 86 -10.218 2.013 -1.643 1.00 0.00 C ATOM 1307 C ILE A 86 -9.964 0.743 -0.839 1.00 0.00 C ATOM 1308 O ILE A 86 -10.697 0.433 0.101 1.00 0.00 O ATOM 1309 CB ILE A 86 -10.288 3.212 -0.679 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -10.521 4.508 -1.459 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -9.012 3.305 0.144 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -11.278 5.557 -0.675 1.00 0.00 C ATOM 0 H ILE A 86 -12.296 1.875 -1.891 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.397 2.167 -2.343 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.126 3.064 0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.558 4.918 -1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -11.072 4.280 -2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.077 4.157 0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.885 2.391 0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.158 3.434 -0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.407 6.448 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.256 5.166 -0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.718 5.814 0.224 1.00 0.00 H new ATOM 1324 N PHE A 87 -8.919 0.012 -1.213 1.00 0.00 N ATOM 1325 CA PHE A 87 -8.566 -1.225 -0.525 1.00 0.00 C ATOM 1326 C PHE A 87 -7.434 -0.990 0.471 1.00 0.00 C ATOM 1327 O PHE A 87 -6.621 -0.083 0.299 1.00 0.00 O ATOM 1328 CB PHE A 87 -8.156 -2.297 -1.538 1.00 0.00 C ATOM 1329 CG PHE A 87 -9.109 -2.429 -2.691 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -10.203 -3.275 -2.609 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -8.912 -1.706 -3.856 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -11.081 -3.399 -3.669 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -9.787 -1.825 -4.919 1.00 0.00 C ATOM 1334 CZ PHE A 87 -10.873 -2.672 -4.825 1.00 0.00 C ATOM 0 H PHE A 87 -8.302 0.254 -1.988 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.443 -1.569 0.024 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -7.164 -2.061 -1.923 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -8.080 -3.257 -1.028 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.372 -3.844 -1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.064 -1.041 -3.935 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.929 -4.064 -3.594 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -9.621 -1.256 -5.822 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.559 -2.766 -5.654 1.00 0.00 H new ATOM 1344 N ALA A 88 -7.391 -1.814 1.513 1.00 0.00 N ATOM 1345 CA ALA A 88 -6.359 -1.697 2.536 1.00 0.00 C ATOM 1346 C ALA A 88 -5.769 -3.061 2.878 1.00 0.00 C ATOM 1347 O ALA A 88 -6.462 -4.078 2.830 1.00 0.00 O ATOM 1348 CB ALA A 88 -6.926 -1.037 3.784 1.00 0.00 C ATOM 0 H ALA A 88 -8.058 -2.569 1.671 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.558 -1.073 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.145 -0.956 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.294 -0.042 3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.746 -1.640 4.174 1.00 0.00 H new ATOM 1354 N PHE A 89 -4.486 -3.076 3.224 1.00 0.00 N ATOM 1355 CA PHE A 89 -3.803 -4.316 3.573 1.00 0.00 C ATOM 1356 C PHE A 89 -2.875 -4.108 4.767 1.00 0.00 C ATOM 1357 O PHE A 89 -2.126 -3.133 4.824 1.00 0.00 O ATOM 1358 CB PHE A 89 -3.004 -4.837 2.377 1.00 0.00 C ATOM 1359 CG PHE A 89 -3.773 -4.815 1.087 1.00 0.00 C ATOM 1360 CD1 PHE A 89 -3.888 -3.644 0.354 1.00 0.00 C ATOM 1361 CD2 PHE A 89 -4.381 -5.964 0.607 1.00 0.00 C ATOM 1362 CE1 PHE A 89 -4.595 -3.620 -0.834 1.00 0.00 C ATOM 1363 CE2 PHE A 89 -5.088 -5.946 -0.580 1.00 0.00 C ATOM 1364 CZ PHE A 89 -5.197 -4.772 -1.301 1.00 0.00 C ATOM 0 H PHE A 89 -3.898 -2.243 3.270 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.558 -5.053 3.846 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.102 -4.236 2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.683 -5.858 2.582 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.420 -2.740 0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.301 -6.884 1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.676 -2.701 -1.396 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.555 -6.849 -0.944 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.752 -4.755 -2.228 1.00 0.00 H new ATOM 1374 N LYS A 90 -2.931 -5.033 5.720 1.00 0.00 N ATOM 1375 CA LYS A 90 -2.097 -4.954 6.913 1.00 0.00 C ATOM 1376 C LYS A 90 -0.724 -5.570 6.659 1.00 0.00 C ATOM 1377 O LYS A 90 -0.606 -6.777 6.445 1.00 0.00 O ATOM 1378 CB LYS A 90 -2.778 -5.664 8.084 1.00 0.00 C ATOM 1379 CG LYS A 90 -2.353 -5.139 9.445 1.00 0.00 C ATOM 1380 CD LYS A 90 -3.077 -5.857 10.571 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.257 -4.955 11.782 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.054 -5.616 12.853 1.00 0.00 N ATOM 0 H LYS A 90 -3.546 -5.846 5.689 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.963 -3.902 7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.858 -5.557 7.984 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.557 -6.730 8.030 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.277 -5.265 9.565 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.557 -4.070 9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.052 -6.196 10.220 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.515 -6.746 10.858 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.280 -4.677 12.176 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.752 -4.033 11.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.154 -4.969 13.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.996 -5.859 12.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.569 -6.483 13.162 1.00 0.00 H new ATOM 1396 N CYS A 91 0.308 -4.734 6.685 1.00 0.00 N ATOM 1397 CA CYS A 91 1.672 -5.198 6.459 1.00 0.00 C ATOM 1398 C CYS A 91 2.669 -4.365 7.258 1.00 0.00 C ATOM 1399 O CYS A 91 2.725 -3.143 7.119 1.00 0.00 O ATOM 1400 CB CYS A 91 2.014 -5.134 4.970 1.00 0.00 C ATOM 1401 SG CYS A 91 3.548 -5.983 4.527 1.00 0.00 S ATOM 0 H CYS A 91 0.226 -3.732 6.860 1.00 0.00 H new ATOM 0 HA CYS A 91 1.738 -6.233 6.796 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.193 -5.570 4.401 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.090 -4.089 4.670 1.00 0.00 H new ATOM 0 HG CYS A 91 3.270 -7.157 4.042 1.00 0.00 H new ATOM 1407 N SER A 92 3.453 -5.034 8.098 1.00 0.00 N ATOM 1408 CA SER A 92 4.444 -4.356 8.924 1.00 0.00 C ATOM 1409 C SER A 92 5.447 -3.599 8.058 1.00 0.00 C ATOM 1410 O SER A 92 5.999 -2.580 8.475 1.00 0.00 O ATOM 1411 CB SER A 92 5.177 -5.364 9.810 1.00 0.00 C ATOM 1412 OG SER A 92 4.317 -5.888 10.807 1.00 0.00 O ATOM 0 H SER A 92 3.420 -6.046 8.224 1.00 0.00 H new ATOM 0 HA SER A 92 3.923 -3.638 9.558 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.565 -6.177 9.197 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.034 -4.883 10.281 1.00 0.00 H new ATOM 0 HG SER A 92 4.809 -6.531 11.359 1.00 0.00 H new ATOM 1418 N ARG A 93 5.678 -4.105 6.851 1.00 0.00 N ATOM 1419 CA ARG A 93 6.614 -3.479 5.927 1.00 0.00 C ATOM 1420 C ARG A 93 5.893 -2.509 4.996 1.00 0.00 C ATOM 1421 O ARG A 93 6.198 -2.432 3.806 1.00 0.00 O ATOM 1422 CB ARG A 93 7.343 -4.544 5.105 1.00 0.00 C ATOM 1423 CG ARG A 93 8.154 -5.514 5.949 1.00 0.00 C ATOM 1424 CD ARG A 93 8.773 -6.611 5.096 1.00 0.00 C ATOM 1425 NE ARG A 93 7.872 -7.748 4.929 1.00 0.00 N ATOM 1426 CZ ARG A 93 7.480 -8.528 5.930 1.00 0.00 C ATOM 1427 NH1 ARG A 93 7.908 -8.295 7.164 1.00 0.00 N ATOM 1428 NH2 ARG A 93 6.659 -9.544 5.699 1.00 0.00 N ATOM 0 H ARG A 93 5.229 -4.947 6.491 1.00 0.00 H new ATOM 0 HA ARG A 93 7.343 -2.920 6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.612 -5.105 4.523 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.006 -4.051 4.394 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.941 -4.972 6.474 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.513 -5.961 6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.032 -6.207 4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.701 -6.949 5.557 1.00 0.00 H new ATOM 0 HE ARG A 93 7.525 -7.954 3.992 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.540 -7.515 7.346 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.605 -8.896 7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.328 -9.727 4.752 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.359 -10.142 6.469 1.00 0.00 H new ATOM 1442 N ALA A 94 4.935 -1.770 5.546 1.00 0.00 N ATOM 1443 CA ALA A 94 4.171 -0.805 4.766 1.00 0.00 C ATOM 1444 C ALA A 94 5.066 0.320 4.257 1.00 0.00 C ATOM 1445 O ALA A 94 4.905 0.792 3.132 1.00 0.00 O ATOM 1446 CB ALA A 94 3.030 -0.239 5.598 1.00 0.00 C ATOM 0 H ALA A 94 4.670 -1.822 6.530 1.00 0.00 H new ATOM 0 HA ALA A 94 3.754 -1.322 3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.468 0.480 5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.369 -1.049 5.908 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.434 0.257 6.480 1.00 0.00 H new ATOM 1452 N GLU A 95 6.008 0.745 5.093 1.00 0.00 N ATOM 1453 CA GLU A 95 6.927 1.817 4.727 1.00 0.00 C ATOM 1454 C GLU A 95 7.748 1.433 3.499 1.00 0.00 C ATOM 1455 O GLU A 95 7.993 2.259 2.621 1.00 0.00 O ATOM 1456 CB GLU A 95 7.859 2.142 5.896 1.00 0.00 C ATOM 1457 CG GLU A 95 8.589 3.465 5.742 1.00 0.00 C ATOM 1458 CD GLU A 95 9.369 3.849 6.985 1.00 0.00 C ATOM 1459 OE1 GLU A 95 9.779 2.936 7.733 1.00 0.00 O ATOM 1460 OE2 GLU A 95 9.568 5.060 7.211 1.00 0.00 O ATOM 0 H GLU A 95 6.155 0.364 6.028 1.00 0.00 H new ATOM 0 HA GLU A 95 6.336 2.701 4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.278 2.162 6.818 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.592 1.342 5.999 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.271 3.403 4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.867 4.249 5.514 1.00 0.00 H new ATOM 1467 N GLU A 96 8.171 0.174 3.447 1.00 0.00 N ATOM 1468 CA GLU A 96 8.966 -0.319 2.328 1.00 0.00 C ATOM 1469 C GLU A 96 8.166 -0.271 1.030 1.00 0.00 C ATOM 1470 O GLU A 96 8.673 0.157 -0.008 1.00 0.00 O ATOM 1471 CB GLU A 96 9.435 -1.751 2.598 1.00 0.00 C ATOM 1472 CG GLU A 96 10.348 -1.874 3.806 1.00 0.00 C ATOM 1473 CD GLU A 96 11.585 -1.004 3.693 1.00 0.00 C ATOM 1474 OE1 GLU A 96 12.434 -1.288 2.823 1.00 0.00 O ATOM 1475 OE2 GLU A 96 11.703 -0.038 4.477 1.00 0.00 O ATOM 0 H GLU A 96 7.977 -0.523 4.166 1.00 0.00 H new ATOM 0 HA GLU A 96 9.837 0.327 2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.563 -2.388 2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.958 -2.125 1.718 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.795 -1.598 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.650 -2.915 3.924 1.00 0.00 H new ATOM 1482 N ILE A 97 6.915 -0.712 1.096 1.00 0.00 N ATOM 1483 CA ILE A 97 6.045 -0.718 -0.074 1.00 0.00 C ATOM 1484 C ILE A 97 5.760 0.700 -0.555 1.00 0.00 C ATOM 1485 O ILE A 97 5.824 0.987 -1.751 1.00 0.00 O ATOM 1486 CB ILE A 97 4.709 -1.426 0.222 1.00 0.00 C ATOM 1487 CG1 ILE A 97 4.957 -2.878 0.634 1.00 0.00 C ATOM 1488 CG2 ILE A 97 3.796 -1.362 -0.993 1.00 0.00 C ATOM 1489 CD1 ILE A 97 3.732 -3.563 1.201 1.00 0.00 C ATOM 0 H ILE A 97 6.481 -1.070 1.947 1.00 0.00 H new ATOM 0 HA ILE A 97 6.572 -1.265 -0.856 1.00 0.00 H new ATOM 0 HB ILE A 97 4.217 -0.913 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.308 -3.438 -0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.755 -2.905 1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.856 -1.866 -0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.598 -0.320 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.279 -1.854 -1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.981 -4.589 1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.392 -3.026 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.939 -3.567 0.453 1.00 0.00 H new ATOM 1501 N PHE A 98 5.446 1.586 0.385 1.00 0.00 N ATOM 1502 CA PHE A 98 5.153 2.977 0.057 1.00 0.00 C ATOM 1503 C PHE A 98 6.369 3.658 -0.563 1.00 0.00 C ATOM 1504 O PHE A 98 6.282 4.248 -1.639 1.00 0.00 O ATOM 1505 CB PHE A 98 4.712 3.736 1.310 1.00 0.00 C ATOM 1506 CG PHE A 98 4.198 5.118 1.024 1.00 0.00 C ATOM 1507 CD1 PHE A 98 2.934 5.303 0.486 1.00 0.00 C ATOM 1508 CD2 PHE A 98 4.977 6.231 1.292 1.00 0.00 C ATOM 1509 CE1 PHE A 98 2.458 6.573 0.222 1.00 0.00 C ATOM 1510 CE2 PHE A 98 4.506 7.503 1.031 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.245 7.675 0.494 1.00 0.00 C ATOM 0 H PHE A 98 5.388 1.366 1.379 1.00 0.00 H new ATOM 0 HA PHE A 98 4.342 2.989 -0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.933 3.165 1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.554 3.806 1.998 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.314 4.445 0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.965 6.103 1.710 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.471 6.704 -0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.123 8.363 1.247 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.875 8.669 0.287 1.00 0.00 H new ATOM 1521 N ASN A 99 7.503 3.572 0.125 1.00 0.00 N ATOM 1522 CA ASN A 99 8.738 4.181 -0.357 1.00 0.00 C ATOM 1523 C ASN A 99 9.005 3.794 -1.808 1.00 0.00 C ATOM 1524 O ASN A 99 9.354 4.639 -2.633 1.00 0.00 O ATOM 1525 CB ASN A 99 9.916 3.756 0.521 1.00 0.00 C ATOM 1526 CG ASN A 99 10.027 4.590 1.783 1.00 0.00 C ATOM 1527 OD1 ASN A 99 9.669 5.768 1.796 1.00 0.00 O ATOM 1528 ND2 ASN A 99 10.526 3.981 2.853 1.00 0.00 N ATOM 0 H ASN A 99 7.592 3.087 1.018 1.00 0.00 H new ATOM 0 HA ASN A 99 8.625 5.264 -0.304 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.804 2.706 0.791 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.841 3.841 -0.050 1.00 0.00 H new ATOM 0 HD21 ASN A 99 10.625 4.491 3.731 1.00 0.00 H new ATOM 0 HD22 ASN A 99 10.810 3.003 2.797 1.00 0.00 H new ATOM 1535 N LEU A 100 8.839 2.511 -2.113 1.00 0.00 N ATOM 1536 CA LEU A 100 9.061 2.011 -3.465 1.00 0.00 C ATOM 1537 C LEU A 100 8.006 2.550 -4.425 1.00 0.00 C ATOM 1538 O LEU A 100 8.329 3.049 -5.504 1.00 0.00 O ATOM 1539 CB LEU A 100 9.041 0.482 -3.474 1.00 0.00 C ATOM 1540 CG LEU A 100 9.161 -0.183 -4.846 1.00 0.00 C ATOM 1541 CD1 LEU A 100 10.501 0.147 -5.484 1.00 0.00 C ATOM 1542 CD2 LEU A 100 8.982 -1.689 -4.726 1.00 0.00 C ATOM 0 H LEU A 100 8.551 1.799 -1.442 1.00 0.00 H new ATOM 0 HA LEU A 100 10.039 2.358 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.857 0.124 -2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.113 0.148 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 100 8.371 0.207 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.568 -0.335 -6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.590 1.227 -5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.307 -0.214 -4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.070 -2.146 -5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.750 -2.095 -4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.997 -1.907 -4.312 1.00 0.00 H new ATOM 1554 N LEU A 101 6.743 2.449 -4.026 1.00 0.00 N ATOM 1555 CA LEU A 101 5.639 2.929 -4.850 1.00 0.00 C ATOM 1556 C LEU A 101 5.843 4.390 -5.238 1.00 0.00 C ATOM 1557 O LEU A 101 5.669 4.764 -6.397 1.00 0.00 O ATOM 1558 CB LEU A 101 4.313 2.768 -4.104 1.00 0.00 C ATOM 1559 CG LEU A 101 3.046 2.995 -4.930 1.00 0.00 C ATOM 1560 CD1 LEU A 101 2.726 1.765 -5.765 1.00 0.00 C ATOM 1561 CD2 LEU A 101 1.875 3.347 -4.025 1.00 0.00 C ATOM 0 H LEU A 101 6.458 2.039 -3.137 1.00 0.00 H new ATOM 0 HA LEU A 101 5.612 2.331 -5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.274 1.762 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.305 3.463 -3.264 1.00 0.00 H new ATOM 0 HG LEU A 101 3.221 3.832 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.821 1.945 -6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.556 1.558 -6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.571 0.909 -5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.982 3.505 -4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.699 2.531 -3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.104 4.258 -3.471 1.00 0.00 H new ATOM 1573 N GLN A 102 6.216 5.210 -4.260 1.00 0.00 N ATOM 1574 CA GLN A 102 6.446 6.629 -4.501 1.00 0.00 C ATOM 1575 C GLN A 102 7.718 6.845 -5.315 1.00 0.00 C ATOM 1576 O GLN A 102 7.871 7.864 -5.987 1.00 0.00 O ATOM 1577 CB GLN A 102 6.542 7.384 -3.174 1.00 0.00 C ATOM 1578 CG GLN A 102 7.730 6.968 -2.322 1.00 0.00 C ATOM 1579 CD GLN A 102 8.196 8.071 -1.392 1.00 0.00 C ATOM 1580 OE1 GLN A 102 7.395 8.872 -0.909 1.00 0.00 O ATOM 1581 NE2 GLN A 102 9.498 8.118 -1.134 1.00 0.00 N ATOM 0 H GLN A 102 6.365 4.916 -3.295 1.00 0.00 H new ATOM 0 HA GLN A 102 5.602 7.016 -5.072 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.608 8.453 -3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.625 7.224 -2.607 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.461 6.091 -1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.554 6.674 -2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.126 7.434 -1.556 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.869 8.838 -0.514 1.00 0.00 H new ATOM 1590 N ASP A 103 8.627 5.878 -5.249 1.00 0.00 N ATOM 1591 CA ASP A 103 9.886 5.961 -5.981 1.00 0.00 C ATOM 1592 C ASP A 103 9.661 5.746 -7.474 1.00 0.00 C ATOM 1593 O ASP A 103 10.330 6.358 -8.308 1.00 0.00 O ATOM 1594 CB ASP A 103 10.879 4.928 -5.447 1.00 0.00 C ATOM 1595 CG ASP A 103 11.668 5.443 -4.259 1.00 0.00 C ATOM 1596 OD1 ASP A 103 12.088 6.619 -4.290 1.00 0.00 O ATOM 1597 OD2 ASP A 103 11.864 4.670 -3.298 1.00 0.00 O ATOM 0 H ASP A 103 8.516 5.028 -4.696 1.00 0.00 H new ATOM 0 HA ASP A 103 10.299 6.959 -5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.340 4.026 -5.158 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.569 4.646 -6.243 1.00 0.00 H new ATOM 1602 N LEU A 104 8.718 4.872 -7.805 1.00 0.00 N ATOM 1603 CA LEU A 104 8.406 4.574 -9.199 1.00 0.00 C ATOM 1604 C LEU A 104 7.543 5.674 -9.811 1.00 0.00 C ATOM 1605 O LEU A 104 7.742 6.064 -10.961 1.00 0.00 O ATOM 1606 CB LEU A 104 7.686 3.228 -9.305 1.00 0.00 C ATOM 1607 CG LEU A 104 8.366 2.047 -8.612 1.00 0.00 C ATOM 1608 CD1 LEU A 104 7.405 0.875 -8.487 1.00 0.00 C ATOM 1609 CD2 LEU A 104 9.619 1.633 -9.370 1.00 0.00 C ATOM 0 H LEU A 104 8.156 4.357 -7.128 1.00 0.00 H new ATOM 0 HA LEU A 104 9.344 4.522 -9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.685 3.340 -8.889 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.567 2.984 -10.361 1.00 0.00 H new ATOM 0 HG LEU A 104 8.658 2.359 -7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.907 0.044 -7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.537 1.177 -7.900 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.081 0.563 -9.480 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.090 0.791 -8.862 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.350 1.340 -10.385 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.316 2.471 -9.406 1.00 0.00 H new ATOM 1621 N MET A 105 6.587 6.170 -9.033 1.00 0.00 N ATOM 1622 CA MET A 105 5.697 7.228 -9.498 1.00 0.00 C ATOM 1623 C MET A 105 6.469 8.521 -9.740 1.00 0.00 C ATOM 1624 O MET A 105 6.381 9.114 -10.815 1.00 0.00 O ATOM 1625 CB MET A 105 4.582 7.470 -8.478 1.00 0.00 C ATOM 1626 CG MET A 105 3.531 6.372 -8.456 1.00 0.00 C ATOM 1627 SD MET A 105 2.444 6.480 -7.021 1.00 0.00 S ATOM 1628 CE MET A 105 1.033 7.327 -7.729 1.00 0.00 C ATOM 0 H MET A 105 6.409 5.857 -8.079 1.00 0.00 H new ATOM 0 HA MET A 105 5.255 6.908 -10.441 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.022 7.560 -7.485 1.00 0.00 H new ATOM 0 HB3 MET A 105 4.098 8.421 -8.700 1.00 0.00 H new ATOM 0 HG2 MET A 105 2.933 6.429 -9.365 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.026 5.401 -8.460 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.608 8.006 -6.990 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.351 7.895 -8.603 1.00 0.00 H new ATOM 0 HE3 MET A 105 0.281 6.596 -8.025 1.00 0.00 H new ATOM 1638 N GLN A 106 7.225 8.951 -8.735 1.00 0.00 N ATOM 1639 CA GLN A 106 8.011 10.174 -8.840 1.00 0.00 C ATOM 1640 C GLN A 106 9.015 10.079 -9.984 1.00 0.00 C ATOM 1641 O GLN A 106 9.436 11.095 -10.540 1.00 0.00 O ATOM 1642 CB GLN A 106 8.743 10.450 -7.525 1.00 0.00 C ATOM 1643 CG GLN A 106 10.062 9.707 -7.395 1.00 0.00 C ATOM 1644 CD GLN A 106 10.736 9.943 -6.058 1.00 0.00 C ATOM 1645 OE1 GLN A 106 10.517 9.201 -5.100 1.00 0.00 O ATOM 1646 NE2 GLN A 106 11.562 10.980 -5.986 1.00 0.00 N ATOM 0 H GLN A 106 7.310 8.471 -7.839 1.00 0.00 H new ATOM 0 HA GLN A 106 7.328 10.998 -9.047 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.929 11.521 -7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.096 10.172 -6.693 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.887 8.639 -7.526 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.732 10.021 -8.196 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.714 11.569 -6.805 1.00 0.00 H new ATOM 0 HE22 GLN A 106 12.045 11.188 -5.112 1.00 0.00 H new ATOM 2022 N PHE A 136 -12.218 -6.435 0.552 1.00 0.00 N ATOM 2023 CA PHE A 136 -13.054 -5.428 1.196 1.00 0.00 C ATOM 2024 C PHE A 136 -12.914 -4.078 0.499 1.00 0.00 C ATOM 2025 O PHE A 136 -11.859 -3.758 -0.050 1.00 0.00 O ATOM 2026 CB PHE A 136 -12.681 -5.294 2.674 1.00 0.00 C ATOM 2027 CG PHE A 136 -13.614 -4.410 3.450 1.00 0.00 C ATOM 2028 CD1 PHE A 136 -14.842 -4.885 3.880 1.00 0.00 C ATOM 2029 CD2 PHE A 136 -13.262 -3.103 3.750 1.00 0.00 C ATOM 2030 CE1 PHE A 136 -15.703 -4.072 4.594 1.00 0.00 C ATOM 2031 CE2 PHE A 136 -14.119 -2.287 4.464 1.00 0.00 C ATOM 2032 CZ PHE A 136 -15.341 -2.772 4.887 1.00 0.00 C ATOM 0 HA PHE A 136 -14.092 -5.750 1.119 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -12.670 -6.285 3.129 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -11.669 -4.896 2.750 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -15.130 -5.901 3.655 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -12.308 -2.718 3.422 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -16.658 -4.454 4.922 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -13.833 -1.271 4.691 1.00 0.00 H new ATOM 0 HZ PHE A 136 -16.012 -2.136 5.446 1.00 0.00 H new ATOM 2042 N ARG A 137 -13.984 -3.291 0.526 1.00 0.00 N ATOM 2043 CA ARG A 137 -13.982 -1.976 -0.104 1.00 0.00 C ATOM 2044 C ARG A 137 -14.191 -0.876 0.933 1.00 0.00 C ATOM 2045 O ARG A 137 -15.273 -0.747 1.507 1.00 0.00 O ATOM 2046 CB ARG A 137 -15.072 -1.898 -1.173 1.00 0.00 C ATOM 2047 CG ARG A 137 -14.649 -2.468 -2.518 1.00 0.00 C ATOM 2048 CD ARG A 137 -15.015 -3.939 -2.639 1.00 0.00 C ATOM 2049 NE ARG A 137 -16.460 -4.142 -2.679 1.00 0.00 N ATOM 2050 CZ ARG A 137 -17.189 -4.450 -1.612 1.00 0.00 C ATOM 2051 NH1 ARG A 137 -16.611 -4.590 -0.427 1.00 0.00 N ATOM 2052 NH2 ARG A 137 -18.500 -4.619 -1.729 1.00 0.00 N ATOM 0 H ARG A 137 -14.864 -3.541 0.977 1.00 0.00 H new ATOM 0 HA ARG A 137 -13.010 -1.828 -0.575 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -15.953 -2.435 -0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -15.365 -0.857 -1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -15.128 -1.906 -3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -13.573 -2.348 -2.643 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -14.566 -4.351 -3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -14.595 -4.488 -1.796 1.00 0.00 H new ATOM 0 HE ARG A 137 -16.936 -4.042 -3.575 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -15.604 -4.461 -0.333 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -17.174 -4.827 0.390 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -18.949 -4.512 -2.639 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -19.059 -4.855 -0.909 1.00 0.00 H new ATOM 2066 N LEU A 138 -13.149 -0.087 1.169 1.00 0.00 N ATOM 2067 CA LEU A 138 -13.218 1.002 2.137 1.00 0.00 C ATOM 2068 C LEU A 138 -14.031 2.169 1.587 1.00 0.00 C ATOM 2069 O LEU A 138 -13.815 2.612 0.459 1.00 0.00 O ATOM 2070 CB LEU A 138 -11.810 1.475 2.504 1.00 0.00 C ATOM 2071 CG LEU A 138 -10.863 0.404 3.047 1.00 0.00 C ATOM 2072 CD1 LEU A 138 -9.435 0.926 3.088 1.00 0.00 C ATOM 2073 CD2 LEU A 138 -11.307 -0.049 4.429 1.00 0.00 C ATOM 0 H LEU A 138 -12.246 -0.181 0.703 1.00 0.00 H new ATOM 0 HA LEU A 138 -13.714 0.628 3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -11.355 1.919 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -11.897 2.266 3.249 1.00 0.00 H new ATOM 0 HG LEU A 138 -10.895 -0.456 2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -8.775 0.151 3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.119 1.200 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -9.386 1.802 3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -10.622 -0.811 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -11.305 0.803 5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -12.313 -0.464 4.370 1.00 0.00 H new ATOM 2085 N ARG A 139 -14.966 2.664 2.392 1.00 0.00 N ATOM 2086 CA ARG A 139 -15.811 3.781 1.986 1.00 0.00 C ATOM 2087 C ARG A 139 -14.987 5.055 1.825 1.00 0.00 C ATOM 2088 O ARG A 139 -15.180 5.816 0.876 1.00 0.00 O ATOM 2089 CB ARG A 139 -16.923 4.006 3.012 1.00 0.00 C ATOM 2090 CG ARG A 139 -18.007 2.941 2.978 1.00 0.00 C ATOM 2091 CD ARG A 139 -19.356 3.506 3.397 1.00 0.00 C ATOM 2092 NE ARG A 139 -19.891 4.436 2.407 1.00 0.00 N ATOM 2093 CZ ARG A 139 -20.917 5.247 2.640 1.00 0.00 C ATOM 2094 NH1 ARG A 139 -21.515 5.242 3.823 1.00 0.00 N ATOM 2095 NH2 ARG A 139 -21.347 6.066 1.688 1.00 0.00 N ATOM 0 H ARG A 139 -15.157 2.309 3.329 1.00 0.00 H new ATOM 0 HA ARG A 139 -16.259 3.534 1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -16.485 4.035 4.010 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -17.377 4.981 2.835 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -18.081 2.527 1.972 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -17.733 2.120 3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -20.061 2.688 3.545 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -19.254 4.016 4.355 1.00 0.00 H new ATOM 0 HE ARG A 139 -19.453 4.465 1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -21.188 4.614 4.557 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -22.303 5.866 3.999 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -20.890 6.073 0.776 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -22.135 6.688 1.868 1.00 0.00 H new ATOM 2109 N HIS A 140 -14.069 5.283 2.759 1.00 0.00 N ATOM 2110 CA HIS A 140 -13.216 6.465 2.721 1.00 0.00 C ATOM 2111 C HIS A 140 -11.747 6.080 2.871 1.00 0.00 C ATOM 2112 O HIS A 140 -11.412 4.901 2.978 1.00 0.00 O ATOM 2113 CB HIS A 140 -13.615 7.444 3.826 1.00 0.00 C ATOM 2114 CG HIS A 140 -15.096 7.630 3.955 1.00 0.00 C ATOM 2115 ND1 HIS A 140 -15.733 7.769 5.170 1.00 0.00 N ATOM 2116 CD2 HIS A 140 -16.065 7.700 3.013 1.00 0.00 C ATOM 2117 CE1 HIS A 140 -17.031 7.916 4.970 1.00 0.00 C ATOM 2118 NE2 HIS A 140 -17.258 7.878 3.669 1.00 0.00 N ATOM 0 H HIS A 140 -13.897 4.664 3.552 1.00 0.00 H new ATOM 0 HA HIS A 140 -13.349 6.948 1.753 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -13.218 7.088 4.776 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -13.151 8.411 3.629 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -15.926 7.629 1.944 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -17.779 8.045 5.739 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -18.172 7.967 3.224 1.00 0.00 H new ATOM 2127 N PHE A 141 -10.876 7.084 2.878 1.00 0.00 N ATOM 2128 CA PHE A 141 -9.443 6.850 3.014 1.00 0.00 C ATOM 2129 C PHE A 141 -9.034 6.818 4.484 1.00 0.00 C ATOM 2130 O PHE A 141 -9.078 7.826 5.189 1.00 0.00 O ATOM 2131 CB PHE A 141 -8.656 7.936 2.278 1.00 0.00 C ATOM 2132 CG PHE A 141 -7.330 7.465 1.753 1.00 0.00 C ATOM 2133 CD1 PHE A 141 -6.561 6.570 2.481 1.00 0.00 C ATOM 2134 CD2 PHE A 141 -6.852 7.916 0.534 1.00 0.00 C ATOM 2135 CE1 PHE A 141 -5.340 6.134 2.001 1.00 0.00 C ATOM 2136 CE2 PHE A 141 -5.632 7.482 0.049 1.00 0.00 C ATOM 2137 CZ PHE A 141 -4.875 6.591 0.784 1.00 0.00 C ATOM 0 H PHE A 141 -11.137 8.066 2.791 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.215 5.881 2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -9.255 8.307 1.447 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.493 8.776 2.953 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -6.920 6.209 3.434 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -7.439 8.614 -0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -4.750 5.437 2.578 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -5.271 7.840 -0.904 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.921 6.252 0.408 1.00 0.00 H new ATOM 2147 N PRO A 142 -8.626 5.631 4.958 1.00 0.00 N ATOM 2148 CA PRO A 142 -8.201 5.438 6.347 1.00 0.00 C ATOM 2149 C PRO A 142 -6.874 6.124 6.649 1.00 0.00 C ATOM 2150 O PRO A 142 -6.725 6.785 7.678 1.00 0.00 O ATOM 2151 CB PRO A 142 -8.057 3.918 6.466 1.00 0.00 C ATOM 2152 CG PRO A 142 -7.789 3.454 5.076 1.00 0.00 C ATOM 2153 CD PRO A 142 -8.548 4.387 4.174 1.00 0.00 C ATOM 0 HA PRO A 142 -8.910 5.870 7.053 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -7.242 3.649 7.138 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -8.963 3.464 6.867 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -6.722 3.480 4.855 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -8.118 2.424 4.938 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -8.030 4.540 3.227 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -9.538 3.999 3.936 1.00 0.00 H new ATOM 2161 N CYS A 143 -5.912 5.965 5.746 1.00 0.00 N ATOM 2162 CA CYS A 143 -4.596 6.570 5.916 1.00 0.00 C ATOM 2163 C CYS A 143 -4.696 8.091 5.940 1.00 0.00 C ATOM 2164 O CYS A 143 -5.533 8.680 5.257 1.00 0.00 O ATOM 2165 CB CYS A 143 -3.659 6.126 4.792 1.00 0.00 C ATOM 2166 SG CYS A 143 -1.915 6.067 5.264 1.00 0.00 S ATOM 0 H CYS A 143 -6.019 5.422 4.889 1.00 0.00 H new ATOM 0 HA CYS A 143 -4.190 6.236 6.871 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -3.965 5.138 4.448 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -3.773 6.807 3.948 1.00 0.00 H new ATOM 0 HG CYS A 143 -1.818 5.814 6.536 1.00 0.00 H new ATOM 2172 N GLY A 144 -3.836 8.724 6.733 1.00 0.00 N ATOM 2173 CA GLY A 144 -3.846 10.171 6.834 1.00 0.00 C ATOM 2174 C GLY A 144 -2.690 10.811 6.091 1.00 0.00 C ATOM 2175 O GLY A 144 -2.622 12.033 5.968 1.00 0.00 O ATOM 0 H GLY A 144 -3.133 8.260 7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -4.786 10.554 6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -3.803 10.459 7.884 1.00 0.00 H new ATOM 2179 N ASN A 145 -1.776 9.983 5.595 1.00 0.00 N ATOM 2180 CA ASN A 145 -0.615 10.476 4.862 1.00 0.00 C ATOM 2181 C ASN A 145 -0.633 9.982 3.418 1.00 0.00 C ATOM 2182 O ASN A 145 -0.354 8.814 3.147 1.00 0.00 O ATOM 2183 CB ASN A 145 0.676 10.028 5.550 1.00 0.00 C ATOM 2184 CG ASN A 145 0.570 10.071 7.062 1.00 0.00 C ATOM 2185 OD1 ASN A 145 0.784 11.114 7.681 1.00 0.00 O ATOM 2186 ND2 ASN A 145 0.239 8.935 7.664 1.00 0.00 N ATOM 0 H ASN A 145 -1.817 8.968 5.687 1.00 0.00 H new ATOM 0 HA ASN A 145 -0.656 11.565 4.855 1.00 0.00 H new ATOM 0 HB2 ASN A 145 0.920 9.014 5.234 1.00 0.00 H new ATOM 0 HB3 ASN A 145 1.497 10.668 5.228 1.00 0.00 H new ATOM 0 HD21 ASN A 145 0.153 8.902 8.680 1.00 0.00 H new ATOM 0 HD22 ASN A 145 0.071 8.095 7.111 1.00 0.00 H new ATOM 2193 N VAL A 146 -0.964 10.879 2.495 1.00 0.00 N ATOM 2194 CA VAL A 146 -1.017 10.536 1.080 1.00 0.00 C ATOM 2195 C VAL A 146 -0.170 11.494 0.250 1.00 0.00 C ATOM 2196 O VAL A 146 -0.088 12.685 0.549 1.00 0.00 O ATOM 2197 CB VAL A 146 -2.463 10.557 0.551 1.00 0.00 C ATOM 2198 CG1 VAL A 146 -2.512 10.077 -0.892 1.00 0.00 C ATOM 2199 CG2 VAL A 146 -3.365 9.708 1.434 1.00 0.00 C ATOM 0 H VAL A 146 -1.200 11.849 2.703 1.00 0.00 H new ATOM 0 HA VAL A 146 -0.618 9.526 0.984 1.00 0.00 H new ATOM 0 HB VAL A 146 -2.826 11.584 0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -3.542 10.099 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -1.899 10.730 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -2.130 9.058 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -4.383 9.734 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -3.005 8.679 1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -3.354 10.102 2.450 1.00 0.00 H new ATOM 2209 N ASN A 147 0.458 10.967 -0.796 1.00 0.00 N ATOM 2210 CA ASN A 147 1.299 11.776 -1.671 1.00 0.00 C ATOM 2211 C ASN A 147 0.537 12.194 -2.924 1.00 0.00 C ATOM 2212 O ASN A 147 1.105 12.793 -3.838 1.00 0.00 O ATOM 2213 CB ASN A 147 2.559 11.000 -2.062 1.00 0.00 C ATOM 2214 CG ASN A 147 3.509 10.814 -0.894 1.00 0.00 C ATOM 2215 OD1 ASN A 147 3.288 11.349 0.192 1.00 0.00 O ATOM 2216 ND2 ASN A 147 4.575 10.052 -1.115 1.00 0.00 N ATOM 0 H ASN A 147 0.400 9.983 -1.058 1.00 0.00 H new ATOM 0 HA ASN A 147 1.588 12.675 -1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 147 2.274 10.024 -2.454 1.00 0.00 H new ATOM 0 HB3 ASN A 147 3.073 11.528 -2.865 1.00 0.00 H new ATOM 0 HD21 ASN A 147 5.250 9.891 -0.368 1.00 0.00 H new ATOM 0 HD22 ASN A 147 4.718 9.628 -2.032 1.00 0.00 H new ATOM 2223 N TYR A 148 -0.752 11.877 -2.959 1.00 0.00 N ATOM 2224 CA TYR A 148 -1.593 12.218 -4.101 1.00 0.00 C ATOM 2225 C TYR A 148 -0.783 12.214 -5.394 1.00 0.00 C ATOM 2226 O TYR A 148 -0.999 13.042 -6.278 1.00 0.00 O ATOM 2227 CB TYR A 148 -2.237 13.590 -3.894 1.00 0.00 C ATOM 2228 CG TYR A 148 -2.854 13.769 -2.525 1.00 0.00 C ATOM 2229 CD1 TYR A 148 -2.065 13.771 -1.381 1.00 0.00 C ATOM 2230 CD2 TYR A 148 -4.225 13.934 -2.376 1.00 0.00 C ATOM 2231 CE1 TYR A 148 -2.625 13.933 -0.128 1.00 0.00 C ATOM 2232 CE2 TYR A 148 -4.793 14.099 -1.127 1.00 0.00 C ATOM 2233 CZ TYR A 148 -3.989 14.097 -0.007 1.00 0.00 C ATOM 2234 OH TYR A 148 -4.551 14.260 1.239 1.00 0.00 O ATOM 0 H TYR A 148 -1.238 11.384 -2.210 1.00 0.00 H new ATOM 0 HA TYR A 148 -2.376 11.464 -4.182 1.00 0.00 H new ATOM 0 HB2 TYR A 148 -1.484 14.363 -4.048 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -3.006 13.739 -4.652 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -0.996 13.644 -1.473 1.00 0.00 H new ATOM 0 HD2 TYR A 148 -4.858 13.933 -3.251 1.00 0.00 H new ATOM 0 HE1 TYR A 148 -1.998 13.931 0.751 1.00 0.00 H new ATOM 0 HE2 TYR A 148 -5.861 14.229 -1.029 1.00 0.00 H new ATOM 0 HH TYR A 148 -5.521 14.364 1.149 1.00 0.00 H new ATOM 2244 N GLY A 149 0.151 11.273 -5.497 1.00 0.00 N ATOM 2245 CA GLY A 149 0.979 11.177 -6.685 1.00 0.00 C ATOM 2246 C GLY A 149 0.253 11.629 -7.936 1.00 0.00 C ATOM 2247 O GLY A 149 0.281 12.808 -8.287 1.00 0.00 O ATOM 0 H GLY A 149 0.349 10.576 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 149 1.875 11.783 -6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 149 1.308 10.146 -6.812 1.00 0.00 H new