USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 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 31 CYS SG : rot -180:sc= 0.26 USER MOD Set 1.2: A 33 CYS SG : rot -99:sc= 0.245 USER MOD Set 1.3: A 53 CYS SG : rot -157:sc= 0.786 USER MOD Set 1.4: A 56 CYS SG : rot 56:sc= 0.262 USER MOD Set 2.1: A 14 CYS SG : rot -101:sc=-0.00112 USER MOD Set 2.2: A 17 CYS SG : rot -82:sc= 1.19 USER MOD Set 2.3: A 38 CYS SG : rot -128:sc= -0.608 USER MOD Set 2.4: A 41 CYS SG : rot 93:sc= -1.06 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -21:sc= 1.1 USER MOD Single : A 35 TYR OH : rot -120:sc= -1.7 USER MOD Single : A 36 GLN : amide:sc= -1.99 K(o=-2,f=-2.8) USER MOD Single : A 43 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.42) USER MOD Single : A 47 THR OG1 : rot 115:sc= 1.33 USER MOD Single : A 50 ASN : amide:sc= -0.0285 X(o=-0.028,f=-0.43) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -100:sc= -1.7 USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -15.372 0.856 -1.605 1.00 0.00 N ATOM 166 CA VAL A 12 -13.936 0.555 -1.351 1.00 0.00 C ATOM 167 C VAL A 12 -13.822 -0.750 -0.566 1.00 0.00 C ATOM 168 O VAL A 12 -14.438 -0.921 0.467 1.00 0.00 O ATOM 169 CB VAL A 12 -13.311 1.691 -0.542 1.00 0.00 C ATOM 170 CG1 VAL A 12 -11.796 1.689 -0.750 1.00 0.00 C ATOM 171 CG2 VAL A 12 -13.888 3.028 -1.009 1.00 0.00 C ATOM 0 HA VAL A 12 -13.412 0.456 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.534 1.550 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.349 2.499 -0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.384 0.736 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.574 1.831 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.442 3.838 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.666 3.171 -2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.968 3.029 -0.862 1.00 0.00 H new ATOM 181 N GLU A 13 -13.040 -1.676 -1.047 1.00 0.00 N ATOM 182 CA GLU A 13 -12.892 -2.971 -0.327 1.00 0.00 C ATOM 183 C GLU A 13 -11.739 -3.765 -0.942 1.00 0.00 C ATOM 184 O GLU A 13 -11.639 -3.899 -2.146 1.00 0.00 O ATOM 185 CB GLU A 13 -14.188 -3.778 -0.451 1.00 0.00 C ATOM 186 CG GLU A 13 -14.866 -3.462 -1.786 1.00 0.00 C ATOM 187 CD GLU A 13 -15.932 -4.519 -2.081 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.888 -4.594 -1.329 1.00 0.00 O ATOM 189 OE2 GLU A 13 -15.772 -5.235 -3.056 1.00 0.00 O ATOM 0 H GLU A 13 -12.498 -1.592 -1.907 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.684 -2.779 0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.972 -4.844 -0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.858 -3.537 0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.321 -2.472 -1.749 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.126 -3.443 -2.586 1.00 0.00 H new ATOM 196 N CYS A 14 -10.866 -4.293 -0.128 1.00 0.00 N ATOM 197 CA CYS A 14 -9.723 -5.077 -0.673 1.00 0.00 C ATOM 198 C CYS A 14 -10.224 -6.006 -1.783 1.00 0.00 C ATOM 199 O CYS A 14 -10.874 -6.993 -1.508 1.00 0.00 O ATOM 200 CB CYS A 14 -9.106 -5.918 0.443 1.00 0.00 C ATOM 201 SG CYS A 14 -7.444 -6.440 -0.051 1.00 0.00 S ATOM 0 H CYS A 14 -10.895 -4.215 0.889 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.975 -4.394 -1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.059 -5.340 1.366 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.729 -6.790 0.644 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.480 -7.673 -0.460 1.00 0.00 H new ATOM 206 N PRO A 15 -9.912 -5.661 -3.007 1.00 0.00 N ATOM 207 CA PRO A 15 -10.324 -6.451 -4.179 1.00 0.00 C ATOM 208 C PRO A 15 -9.386 -7.645 -4.382 1.00 0.00 C ATOM 209 O PRO A 15 -9.598 -8.473 -5.246 1.00 0.00 O ATOM 210 CB PRO A 15 -10.190 -5.461 -5.339 1.00 0.00 C ATOM 211 CG PRO A 15 -9.182 -4.380 -4.876 1.00 0.00 C ATOM 212 CD PRO A 15 -9.131 -4.453 -3.338 1.00 0.00 C ATOM 0 HA PRO A 15 -11.328 -6.865 -4.083 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.835 -5.963 -6.239 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.154 -5.014 -5.582 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.196 -4.561 -5.305 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.497 -3.390 -5.206 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.106 -4.530 -2.977 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.563 -3.562 -2.882 1.00 0.00 H new ATOM 220 N LEU A 16 -8.343 -7.740 -3.601 1.00 0.00 N ATOM 221 CA LEU A 16 -7.397 -8.880 -3.767 1.00 0.00 C ATOM 222 C LEU A 16 -7.810 -10.038 -2.853 1.00 0.00 C ATOM 223 O LEU A 16 -7.526 -11.187 -3.130 1.00 0.00 O ATOM 224 CB LEU A 16 -5.978 -8.429 -3.410 1.00 0.00 C ATOM 225 CG LEU A 16 -5.659 -7.092 -4.092 1.00 0.00 C ATOM 226 CD1 LEU A 16 -4.143 -6.891 -4.115 1.00 0.00 C ATOM 227 CD2 LEU A 16 -6.187 -7.092 -5.531 1.00 0.00 C ATOM 0 H LEU A 16 -8.106 -7.081 -2.859 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.422 -9.214 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.883 -8.326 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.259 -9.186 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.137 -6.285 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.909 -5.943 -4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.762 -6.882 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.676 -7.705 -4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.954 -6.138 -6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.716 -7.899 -6.092 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.267 -7.239 -5.522 1.00 0.00 H new ATOM 239 N CYS A 17 -8.479 -9.750 -1.769 1.00 0.00 N ATOM 240 CA CYS A 17 -8.909 -10.843 -0.849 1.00 0.00 C ATOM 241 C CYS A 17 -10.400 -10.679 -0.535 1.00 0.00 C ATOM 242 O CYS A 17 -10.985 -11.466 0.182 1.00 0.00 O ATOM 243 CB CYS A 17 -8.083 -10.781 0.446 1.00 0.00 C ATOM 244 SG CYS A 17 -8.725 -9.489 1.545 1.00 0.00 S ATOM 0 H CYS A 17 -8.746 -8.809 -1.481 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.747 -11.811 -1.323 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.115 -11.746 0.952 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.038 -10.580 0.209 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.247 -8.335 1.184 1.00 0.00 H new ATOM 249 N MET A 18 -11.011 -9.659 -1.067 1.00 0.00 N ATOM 250 CA MET A 18 -12.454 -9.431 -0.809 1.00 0.00 C ATOM 251 C MET A 18 -12.667 -9.073 0.666 1.00 0.00 C ATOM 252 O MET A 18 -12.706 -9.932 1.523 1.00 0.00 O ATOM 253 CB MET A 18 -13.243 -10.695 -1.149 1.00 0.00 C ATOM 254 CG MET A 18 -14.683 -10.315 -1.495 1.00 0.00 C ATOM 255 SD MET A 18 -15.812 -11.577 -0.859 1.00 0.00 S ATOM 256 CE MET A 18 -16.999 -11.520 -2.223 1.00 0.00 C ATOM 0 H MET A 18 -10.567 -8.970 -1.674 1.00 0.00 H new ATOM 0 HA MET A 18 -12.804 -8.608 -1.432 1.00 0.00 H new ATOM 0 HB2 MET A 18 -12.779 -11.212 -1.989 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.230 -11.384 -0.304 1.00 0.00 H new ATOM 0 HG2 MET A 18 -14.927 -9.344 -1.065 1.00 0.00 H new ATOM 0 HG3 MET A 18 -14.796 -10.222 -2.575 1.00 0.00 H new ATOM 0 HE1 MET A 18 -17.801 -12.235 -2.038 1.00 0.00 H new ATOM 0 HE2 MET A 18 -17.418 -10.517 -2.299 1.00 0.00 H new ATOM 0 HE3 MET A 18 -16.495 -11.774 -3.155 1.00 0.00 H new ATOM 266 N GLU A 19 -12.808 -7.809 0.963 1.00 0.00 N ATOM 267 CA GLU A 19 -13.022 -7.390 2.378 1.00 0.00 C ATOM 268 C GLU A 19 -13.468 -5.923 2.406 1.00 0.00 C ATOM 269 O GLU A 19 -13.159 -5.169 1.505 1.00 0.00 O ATOM 270 CB GLU A 19 -11.720 -7.549 3.166 1.00 0.00 C ATOM 271 CG GLU A 19 -11.832 -8.767 4.088 1.00 0.00 C ATOM 272 CD GLU A 19 -11.509 -8.355 5.525 1.00 0.00 C ATOM 273 OE1 GLU A 19 -11.698 -7.194 5.845 1.00 0.00 O ATOM 274 OE2 GLU A 19 -11.078 -9.209 6.283 1.00 0.00 O ATOM 0 H GLU A 19 -12.784 -7.047 0.285 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.791 -8.015 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.880 -7.672 2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.524 -6.651 3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.838 -9.184 4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.146 -9.548 3.760 1.00 0.00 H new ATOM 281 N PRO A 20 -14.188 -5.566 3.439 1.00 0.00 N ATOM 282 CA PRO A 20 -14.703 -4.197 3.611 1.00 0.00 C ATOM 283 C PRO A 20 -13.593 -3.256 4.088 1.00 0.00 C ATOM 284 O PRO A 20 -13.107 -3.364 5.197 1.00 0.00 O ATOM 285 CB PRO A 20 -15.787 -4.350 4.680 1.00 0.00 C ATOM 286 CG PRO A 20 -15.454 -5.648 5.454 1.00 0.00 C ATOM 287 CD PRO A 20 -14.550 -6.490 4.533 1.00 0.00 C ATOM 0 HA PRO A 20 -15.083 -3.766 2.684 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.797 -3.490 5.349 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.776 -4.411 4.225 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.947 -5.421 6.392 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.364 -6.192 5.707 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.666 -6.848 5.061 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.073 -7.369 4.156 1.00 0.00 H new ATOM 295 N LEU A 21 -13.195 -2.334 3.258 1.00 0.00 N ATOM 296 CA LEU A 21 -12.123 -1.381 3.654 1.00 0.00 C ATOM 297 C LEU A 21 -12.694 -0.352 4.631 1.00 0.00 C ATOM 298 O LEU A 21 -13.739 0.221 4.400 1.00 0.00 O ATOM 299 CB LEU A 21 -11.605 -0.656 2.410 1.00 0.00 C ATOM 300 CG LEU A 21 -10.446 -1.446 1.803 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.192 -0.962 0.375 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.190 -1.227 2.648 1.00 0.00 C ATOM 0 H LEU A 21 -13.568 -2.199 2.318 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.308 -1.927 4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.407 -0.547 1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.275 0.349 2.673 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.695 -2.507 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.365 -1.525 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.089 -1.114 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.940 0.098 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.360 -1.789 2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.941 -0.166 2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.372 -1.570 3.666 1.00 0.00 H new ATOM 314 N GLU A 22 -12.014 -0.106 5.715 1.00 0.00 N ATOM 315 CA GLU A 22 -12.523 0.894 6.695 1.00 0.00 C ATOM 316 C GLU A 22 -12.386 2.294 6.094 1.00 0.00 C ATOM 317 O GLU A 22 -12.181 2.452 4.907 1.00 0.00 O ATOM 318 CB GLU A 22 -11.705 0.810 7.984 1.00 0.00 C ATOM 319 CG GLU A 22 -11.842 -0.588 8.589 1.00 0.00 C ATOM 320 CD GLU A 22 -13.047 -0.621 9.530 1.00 0.00 C ATOM 321 OE1 GLU A 22 -12.869 -0.319 10.699 1.00 0.00 O ATOM 322 OE2 GLU A 22 -14.127 -0.949 9.067 1.00 0.00 O ATOM 0 H GLU A 22 -11.131 -0.552 5.965 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.570 0.689 6.920 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.657 1.026 7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.050 1.560 8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.965 -1.328 7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.935 -0.851 9.133 1.00 0.00 H new ATOM 329 N ILE A 23 -12.493 3.311 6.902 1.00 0.00 N ATOM 330 CA ILE A 23 -12.364 4.696 6.367 1.00 0.00 C ATOM 331 C ILE A 23 -10.884 5.078 6.297 1.00 0.00 C ATOM 332 O ILE A 23 -10.357 5.361 5.239 1.00 0.00 O ATOM 333 CB ILE A 23 -13.103 5.670 7.287 1.00 0.00 C ATOM 334 CG1 ILE A 23 -14.606 5.387 7.229 1.00 0.00 C ATOM 335 CG2 ILE A 23 -12.840 7.104 6.825 1.00 0.00 C ATOM 336 CD1 ILE A 23 -15.145 5.771 5.851 1.00 0.00 C ATOM 0 H ILE A 23 -12.663 3.245 7.905 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.798 4.743 5.368 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.748 5.544 8.310 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.796 4.332 7.424 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -15.123 5.952 8.004 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.366 7.799 7.479 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.770 7.308 6.863 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -13.197 7.228 5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -16.215 5.569 5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.969 6.832 5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.636 5.186 5.085 1.00 0.00 H new ATOM 348 N ASP A 24 -10.208 5.085 7.414 1.00 0.00 N ATOM 349 CA ASP A 24 -8.762 5.448 7.408 1.00 0.00 C ATOM 350 C ASP A 24 -7.979 4.406 6.605 1.00 0.00 C ATOM 351 O ASP A 24 -6.859 4.635 6.196 1.00 0.00 O ATOM 352 CB ASP A 24 -8.239 5.482 8.848 1.00 0.00 C ATOM 353 CG ASP A 24 -8.100 4.054 9.380 1.00 0.00 C ATOM 354 OD1 ASP A 24 -9.108 3.373 9.471 1.00 0.00 O ATOM 355 OD2 ASP A 24 -6.985 3.663 9.689 1.00 0.00 O ATOM 0 H ASP A 24 -10.594 4.855 8.330 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.635 6.430 6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.275 5.989 8.883 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.921 6.051 9.480 1.00 0.00 H new ATOM 360 N ASP A 25 -8.561 3.259 6.380 1.00 0.00 N ATOM 361 CA ASP A 25 -7.851 2.200 5.607 1.00 0.00 C ATOM 362 C ASP A 25 -7.787 2.597 4.132 1.00 0.00 C ATOM 363 O ASP A 25 -6.800 2.368 3.460 1.00 0.00 O ATOM 364 CB ASP A 25 -8.608 0.878 5.745 1.00 0.00 C ATOM 365 CG ASP A 25 -8.324 0.269 7.118 1.00 0.00 C ATOM 366 OD1 ASP A 25 -7.816 0.982 7.966 1.00 0.00 O ATOM 367 OD2 ASP A 25 -8.622 -0.901 7.298 1.00 0.00 O ATOM 0 H ASP A 25 -9.497 3.010 6.698 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.839 2.085 5.995 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.678 1.045 5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.302 0.188 4.959 1.00 0.00 H new ATOM 372 N ILE A 26 -8.832 3.187 3.622 1.00 0.00 N ATOM 373 CA ILE A 26 -8.836 3.594 2.189 1.00 0.00 C ATOM 374 C ILE A 26 -7.506 4.268 1.841 1.00 0.00 C ATOM 375 O ILE A 26 -6.816 3.866 0.926 1.00 0.00 O ATOM 376 CB ILE A 26 -9.983 4.579 1.943 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.315 3.828 1.968 1.00 0.00 C ATOM 378 CG2 ILE A 26 -9.806 5.247 0.578 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.461 4.815 1.739 1.00 0.00 C ATOM 0 H ILE A 26 -9.685 3.405 4.137 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.970 2.711 1.563 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.976 5.340 2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.325 3.058 1.197 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.442 3.323 2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.624 5.947 0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.858 5.784 0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.810 4.486 -0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.411 4.280 1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.454 5.569 2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.336 5.300 0.771 1.00 0.00 H new ATOM 391 N ASN A 27 -7.146 5.296 2.560 1.00 0.00 N ATOM 392 CA ASN A 27 -5.867 6.002 2.266 1.00 0.00 C ATOM 393 C ASN A 27 -4.683 5.106 2.631 1.00 0.00 C ATOM 394 O ASN A 27 -3.622 5.199 2.046 1.00 0.00 O ATOM 395 CB ASN A 27 -5.797 7.290 3.088 1.00 0.00 C ATOM 396 CG ASN A 27 -6.721 8.342 2.472 1.00 0.00 C ATOM 397 OD1 ASN A 27 -7.912 8.335 2.711 1.00 0.00 O ATOM 398 ND2 ASN A 27 -6.218 9.251 1.682 1.00 0.00 N ATOM 0 H ASN A 27 -7.683 5.678 3.339 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.825 6.240 1.203 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.091 7.092 4.119 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.773 7.662 3.114 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.825 9.956 1.265 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.218 9.256 1.482 1.00 0.00 H new ATOM 405 N PHE A 28 -4.845 4.245 3.597 1.00 0.00 N ATOM 406 CA PHE A 28 -3.716 3.358 3.993 1.00 0.00 C ATOM 407 C PHE A 28 -3.486 2.296 2.918 1.00 0.00 C ATOM 408 O PHE A 28 -4.384 1.563 2.552 1.00 0.00 O ATOM 409 CB PHE A 28 -4.034 2.665 5.321 1.00 0.00 C ATOM 410 CG PHE A 28 -3.004 1.588 5.576 1.00 0.00 C ATOM 411 CD1 PHE A 28 -3.201 0.295 5.073 1.00 0.00 C ATOM 412 CD2 PHE A 28 -1.846 1.888 6.302 1.00 0.00 C ATOM 413 CE1 PHE A 28 -2.240 -0.698 5.299 1.00 0.00 C ATOM 414 CE2 PHE A 28 -0.885 0.895 6.527 1.00 0.00 C ATOM 415 CZ PHE A 28 -1.081 -0.397 6.026 1.00 0.00 C ATOM 0 H PHE A 28 -5.707 4.117 4.127 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.818 3.966 4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.029 3.391 6.134 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.033 2.230 5.288 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.094 0.064 4.511 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.694 2.885 6.689 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.392 -1.695 4.913 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.009 1.126 7.088 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.339 -1.162 6.200 1.00 0.00 H new ATOM 425 N PHE A 29 -2.286 2.196 2.422 1.00 0.00 N ATOM 426 CA PHE A 29 -1.994 1.168 1.388 1.00 0.00 C ATOM 427 C PHE A 29 -0.499 0.846 1.396 1.00 0.00 C ATOM 428 O PHE A 29 0.296 1.596 1.925 1.00 0.00 O ATOM 429 CB PHE A 29 -2.398 1.683 0.001 1.00 0.00 C ATOM 430 CG PHE A 29 -2.155 3.171 -0.109 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.905 3.716 0.216 1.00 0.00 C ATOM 432 CD2 PHE A 29 -3.189 4.008 -0.548 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.693 5.096 0.103 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.977 5.386 -0.661 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.729 5.931 -0.335 1.00 0.00 C ATOM 0 H PHE A 29 -1.495 2.782 2.688 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.565 0.267 1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.829 1.159 -0.767 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.451 1.467 -0.180 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.106 3.072 0.553 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.152 3.588 -0.800 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.270 5.516 0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.776 6.029 -1.000 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.565 6.995 -0.421 1.00 0.00 H new ATOM 445 N PRO A 30 -0.162 -0.265 0.797 1.00 0.00 N ATOM 446 CA PRO A 30 1.232 -0.715 0.699 1.00 0.00 C ATOM 447 C PRO A 30 1.934 0.051 -0.423 1.00 0.00 C ATOM 448 O PRO A 30 3.142 0.083 -0.507 1.00 0.00 O ATOM 449 CB PRO A 30 1.106 -2.205 0.364 1.00 0.00 C ATOM 450 CG PRO A 30 -0.299 -2.395 -0.258 1.00 0.00 C ATOM 451 CD PRO A 30 -1.139 -1.176 0.168 1.00 0.00 C ATOM 0 HA PRO A 30 1.817 -0.547 1.603 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.885 -2.514 -0.334 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.220 -2.816 1.260 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.236 -2.461 -1.344 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.755 -3.321 0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.625 -0.709 -0.688 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.926 -1.459 0.866 1.00 0.00 H new ATOM 459 N CYS A 31 1.174 0.677 -1.282 1.00 0.00 N ATOM 460 CA CYS A 31 1.782 1.454 -2.398 1.00 0.00 C ATOM 461 C CYS A 31 0.923 2.690 -2.677 1.00 0.00 C ATOM 462 O CYS A 31 -0.279 2.671 -2.501 1.00 0.00 O ATOM 463 CB CYS A 31 1.841 0.580 -3.651 1.00 0.00 C ATOM 464 SG CYS A 31 3.072 1.253 -4.793 1.00 0.00 S ATOM 0 H CYS A 31 0.154 0.683 -1.257 1.00 0.00 H new ATOM 0 HA CYS A 31 2.791 1.764 -2.124 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.099 -0.444 -3.382 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.863 0.546 -4.131 1.00 0.00 H new ATOM 0 HG CYS A 31 3.125 0.512 -5.860 1.00 0.00 H new ATOM 469 N THR A 32 1.526 3.766 -3.106 1.00 0.00 N ATOM 470 CA THR A 32 0.736 5.001 -3.385 1.00 0.00 C ATOM 471 C THR A 32 0.234 4.983 -4.832 1.00 0.00 C ATOM 472 O THR A 32 -0.167 5.998 -5.369 1.00 0.00 O ATOM 473 CB THR A 32 1.618 6.233 -3.163 1.00 0.00 C ATOM 474 OG1 THR A 32 0.894 7.404 -3.517 1.00 0.00 O ATOM 475 CG2 THR A 32 2.876 6.132 -4.028 1.00 0.00 C ATOM 0 H THR A 32 2.529 3.844 -3.275 1.00 0.00 H new ATOM 0 HA THR A 32 -0.120 5.039 -2.711 1.00 0.00 H new ATOM 0 HB THR A 32 1.906 6.284 -2.113 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.163 7.165 -4.125 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.500 7.011 -3.866 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.434 5.236 -3.756 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.592 6.077 -5.079 1.00 0.00 H new ATOM 483 N CYS A 33 0.246 3.843 -5.469 1.00 0.00 N ATOM 484 CA CYS A 33 -0.238 3.779 -6.878 1.00 0.00 C ATOM 485 C CYS A 33 -1.715 3.373 -6.897 1.00 0.00 C ATOM 486 O CYS A 33 -2.229 2.909 -7.895 1.00 0.00 O ATOM 487 CB CYS A 33 0.590 2.758 -7.665 1.00 0.00 C ATOM 488 SG CYS A 33 0.186 1.081 -7.116 1.00 0.00 S ATOM 0 H CYS A 33 0.568 2.958 -5.077 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.129 4.760 -7.340 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.389 2.859 -8.732 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.653 2.951 -7.521 1.00 0.00 H new ATOM 0 HG CYS A 33 1.085 0.673 -6.270 1.00 0.00 H new ATOM 493 N GLY A 34 -2.403 3.552 -5.801 1.00 0.00 N ATOM 494 CA GLY A 34 -3.849 3.183 -5.755 1.00 0.00 C ATOM 495 C GLY A 34 -3.994 1.684 -5.493 1.00 0.00 C ATOM 496 O GLY A 34 -4.369 1.272 -4.413 1.00 0.00 O ATOM 0 H GLY A 34 -2.027 3.938 -4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.353 3.749 -4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.331 3.445 -6.697 1.00 0.00 H new ATOM 500 N TYR A 35 -3.700 0.862 -6.468 1.00 0.00 N ATOM 501 CA TYR A 35 -3.821 -0.609 -6.260 1.00 0.00 C ATOM 502 C TYR A 35 -3.230 -0.959 -4.895 1.00 0.00 C ATOM 503 O TYR A 35 -2.030 -1.057 -4.733 1.00 0.00 O ATOM 504 CB TYR A 35 -3.061 -1.351 -7.371 1.00 0.00 C ATOM 505 CG TYR A 35 -2.717 -2.755 -6.920 1.00 0.00 C ATOM 506 CD1 TYR A 35 -3.695 -3.760 -6.923 1.00 0.00 C ATOM 507 CD2 TYR A 35 -1.415 -3.050 -6.496 1.00 0.00 C ATOM 508 CE1 TYR A 35 -3.369 -5.055 -6.503 1.00 0.00 C ATOM 509 CE2 TYR A 35 -1.090 -4.345 -6.076 1.00 0.00 C ATOM 510 CZ TYR A 35 -2.067 -5.348 -6.079 1.00 0.00 C ATOM 511 OH TYR A 35 -1.746 -6.624 -5.662 1.00 0.00 O ATOM 0 H TYR A 35 -3.383 1.146 -7.395 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.869 -0.908 -6.294 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.669 -1.390 -8.275 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.150 -0.809 -7.623 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.700 -3.535 -7.249 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.661 -2.277 -6.493 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.122 -5.829 -6.506 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.086 -4.571 -5.750 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.435 -6.596 -4.733 1.00 0.00 H new ATOM 521 N GLN A 36 -4.063 -1.135 -3.907 1.00 0.00 N ATOM 522 CA GLN A 36 -3.543 -1.463 -2.553 1.00 0.00 C ATOM 523 C GLN A 36 -4.257 -2.701 -2.010 1.00 0.00 C ATOM 524 O GLN A 36 -4.907 -3.425 -2.737 1.00 0.00 O ATOM 525 CB GLN A 36 -3.784 -0.275 -1.622 1.00 0.00 C ATOM 526 CG GLN A 36 -5.235 0.193 -1.749 1.00 0.00 C ATOM 527 CD GLN A 36 -5.826 0.413 -0.356 1.00 0.00 C ATOM 528 OE1 GLN A 36 -5.581 -0.359 0.549 1.00 0.00 O ATOM 529 NE2 GLN A 36 -6.600 1.444 -0.144 1.00 0.00 N ATOM 0 H GLN A 36 -5.078 -1.066 -3.979 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.474 -1.669 -2.612 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.572 -0.559 -0.591 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.105 0.540 -1.873 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.281 1.117 -2.325 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.821 -0.549 -2.291 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.806 2.092 -0.904 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.999 1.601 0.782 1.00 0.00 H new ATOM 538 N ILE A 37 -4.130 -2.952 -0.737 1.00 0.00 N ATOM 539 CA ILE A 37 -4.789 -4.147 -0.142 1.00 0.00 C ATOM 540 C ILE A 37 -5.288 -3.808 1.263 1.00 0.00 C ATOM 541 O ILE A 37 -5.235 -2.674 1.695 1.00 0.00 O ATOM 542 CB ILE A 37 -3.772 -5.282 -0.059 1.00 0.00 C ATOM 543 CG1 ILE A 37 -2.643 -4.865 0.897 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.206 -5.553 -1.456 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.374 -5.673 0.612 1.00 0.00 C ATOM 0 H ILE A 37 -3.597 -2.380 -0.082 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.634 -4.450 -0.761 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.246 -6.190 0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.437 -3.801 0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.956 -5.021 1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.479 -6.363 -1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.016 -5.836 -2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.720 -4.653 -1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.585 -5.365 1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.580 -6.735 0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.052 -5.496 -0.414 1.00 0.00 H new ATOM 557 N CYS A 38 -5.766 -4.785 1.981 1.00 0.00 N ATOM 558 CA CYS A 38 -6.261 -4.524 3.358 1.00 0.00 C ATOM 559 C CYS A 38 -5.111 -4.721 4.349 1.00 0.00 C ATOM 560 O CYS A 38 -4.015 -5.084 3.973 1.00 0.00 O ATOM 561 CB CYS A 38 -7.397 -5.497 3.685 1.00 0.00 C ATOM 562 SG CYS A 38 -6.759 -7.190 3.706 1.00 0.00 S ATOM 0 H CYS A 38 -5.835 -5.755 1.672 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.633 -3.502 3.429 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.834 -5.250 4.653 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.192 -5.406 2.944 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.490 -7.939 2.934 1.00 0.00 H new ATOM 567 N ARG A 39 -5.351 -4.490 5.608 1.00 0.00 N ATOM 568 CA ARG A 39 -4.269 -4.671 6.615 1.00 0.00 C ATOM 569 C ARG A 39 -3.965 -6.164 6.764 1.00 0.00 C ATOM 570 O ARG A 39 -2.934 -6.552 7.279 1.00 0.00 O ATOM 571 CB ARG A 39 -4.724 -4.099 7.958 1.00 0.00 C ATOM 572 CG ARG A 39 -3.861 -2.889 8.316 1.00 0.00 C ATOM 573 CD ARG A 39 -4.701 -1.878 9.097 1.00 0.00 C ATOM 574 NE ARG A 39 -4.244 -1.842 10.516 1.00 0.00 N ATOM 575 CZ ARG A 39 -4.990 -2.356 11.456 1.00 0.00 C ATOM 576 NH1 ARG A 39 -6.200 -1.906 11.651 1.00 0.00 N ATOM 577 NH2 ARG A 39 -4.524 -3.320 12.203 1.00 0.00 N ATOM 0 H ARG A 39 -6.248 -4.184 5.984 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.370 -4.149 6.289 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.773 -3.808 7.905 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.643 -4.859 8.735 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.004 -3.203 8.912 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.468 -2.428 7.410 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.608 -0.889 8.649 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.755 -2.152 9.050 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.348 -1.416 10.752 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.564 -1.152 11.068 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.782 -2.309 12.386 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.578 -3.671 12.052 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.106 -3.723 12.938 1.00 0.00 H new ATOM 591 N PHE A 40 -4.856 -7.005 6.314 1.00 0.00 N ATOM 592 CA PHE A 40 -4.626 -8.473 6.422 1.00 0.00 C ATOM 593 C PHE A 40 -3.837 -8.957 5.203 1.00 0.00 C ATOM 594 O PHE A 40 -3.245 -10.018 5.214 1.00 0.00 O ATOM 595 CB PHE A 40 -5.974 -9.196 6.465 1.00 0.00 C ATOM 596 CG PHE A 40 -6.513 -9.187 7.876 1.00 0.00 C ATOM 597 CD1 PHE A 40 -5.699 -9.592 8.941 1.00 0.00 C ATOM 598 CD2 PHE A 40 -7.830 -8.779 8.117 1.00 0.00 C ATOM 599 CE1 PHE A 40 -6.204 -9.588 10.248 1.00 0.00 C ATOM 600 CE2 PHE A 40 -8.334 -8.776 9.423 1.00 0.00 C ATOM 601 CZ PHE A 40 -7.521 -9.179 10.489 1.00 0.00 C ATOM 0 H PHE A 40 -5.737 -6.737 5.875 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.064 -8.686 7.331 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.680 -8.709 5.793 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.858 -10.222 6.116 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.683 -9.907 8.755 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.457 -8.466 7.295 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.577 -9.901 11.070 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -9.351 -8.463 9.608 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.910 -9.174 11.497 1.00 0.00 H new ATOM 611 N CYS A 41 -3.827 -8.186 4.151 1.00 0.00 N ATOM 612 CA CYS A 41 -3.079 -8.597 2.930 1.00 0.00 C ATOM 613 C CYS A 41 -1.643 -8.077 3.022 1.00 0.00 C ATOM 614 O CYS A 41 -0.701 -8.750 2.653 1.00 0.00 O ATOM 615 CB CYS A 41 -3.758 -8.004 1.692 1.00 0.00 C ATOM 616 SG CYS A 41 -5.021 -9.148 1.077 1.00 0.00 S ATOM 0 H CYS A 41 -4.305 -7.288 4.084 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.071 -9.684 2.853 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.213 -7.045 1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.017 -7.814 0.915 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.174 -8.839 1.592 1.00 0.00 H new ATOM 621 N TRP A 42 -1.472 -6.881 3.516 1.00 0.00 N ATOM 622 CA TRP A 42 -0.102 -6.311 3.638 1.00 0.00 C ATOM 623 C TRP A 42 0.662 -7.060 4.734 1.00 0.00 C ATOM 624 O TRP A 42 1.865 -7.222 4.665 1.00 0.00 O ATOM 625 CB TRP A 42 -0.204 -4.826 3.997 1.00 0.00 C ATOM 626 CG TRP A 42 1.129 -4.321 4.450 1.00 0.00 C ATOM 627 CD1 TRP A 42 2.173 -4.041 3.636 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.580 -4.035 5.806 1.00 0.00 C ATOM 629 NE1 TRP A 42 3.236 -3.602 4.406 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.918 -3.580 5.751 1.00 0.00 C ATOM 631 CE3 TRP A 42 0.962 -4.125 7.066 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.619 -3.226 6.904 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.665 -3.770 8.230 1.00 0.00 C ATOM 634 CH2 TRP A 42 2.990 -3.322 8.149 1.00 0.00 C ATOM 0 H TRP A 42 -2.224 -6.274 3.841 1.00 0.00 H new ATOM 0 HA TRP A 42 0.430 -6.418 2.692 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.544 -4.256 3.132 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.944 -4.683 4.784 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.176 -4.143 2.561 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.143 -3.328 4.027 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.059 -4.469 7.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.640 -2.880 6.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.181 -3.843 9.193 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.525 -3.051 9.047 1.00 0.00 H new ATOM 645 N HIS A 43 -0.027 -7.520 5.744 1.00 0.00 N ATOM 646 CA HIS A 43 0.663 -8.259 6.840 1.00 0.00 C ATOM 647 C HIS A 43 1.208 -9.582 6.298 1.00 0.00 C ATOM 648 O HIS A 43 1.933 -10.286 6.973 1.00 0.00 O ATOM 649 CB HIS A 43 -0.329 -8.539 7.971 1.00 0.00 C ATOM 650 CG HIS A 43 -0.165 -7.506 9.051 1.00 0.00 C ATOM 651 ND1 HIS A 43 1.067 -7.219 9.619 1.00 0.00 N ATOM 652 CD2 HIS A 43 -1.067 -6.682 9.676 1.00 0.00 C ATOM 653 CE1 HIS A 43 0.874 -6.260 10.542 1.00 0.00 C ATOM 654 NE2 HIS A 43 -0.408 -5.896 10.618 1.00 0.00 N ATOM 0 H HIS A 43 -1.035 -7.416 5.857 1.00 0.00 H new ATOM 0 HA HIS A 43 1.487 -7.656 7.222 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.349 -8.520 7.587 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.160 -9.536 8.378 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -2.126 -6.648 9.469 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.661 -5.836 11.148 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.817 -5.193 11.234 1.00 0.00 H new ATOM 662 N ARG A 44 0.864 -9.929 5.087 1.00 0.00 N ATOM 663 CA ARG A 44 1.365 -11.209 4.512 1.00 0.00 C ATOM 664 C ARG A 44 2.460 -10.920 3.481 1.00 0.00 C ATOM 665 O ARG A 44 3.323 -11.740 3.235 1.00 0.00 O ATOM 666 CB ARG A 44 0.212 -11.947 3.832 1.00 0.00 C ATOM 667 CG ARG A 44 0.675 -13.348 3.427 1.00 0.00 C ATOM 668 CD ARG A 44 0.657 -14.262 4.652 1.00 0.00 C ATOM 669 NE ARG A 44 0.343 -15.655 4.226 1.00 0.00 N ATOM 670 CZ ARG A 44 0.892 -16.146 3.150 1.00 0.00 C ATOM 671 NH1 ARG A 44 2.134 -15.864 2.863 1.00 0.00 N ATOM 672 NH2 ARG A 44 0.199 -16.921 2.360 1.00 0.00 N ATOM 0 H ARG A 44 0.260 -9.383 4.473 1.00 0.00 H new ATOM 0 HA ARG A 44 1.775 -11.826 5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.640 -12.015 4.508 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.121 -11.394 2.954 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.023 -13.749 2.651 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.680 -13.304 3.007 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.623 -14.233 5.155 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.086 -13.913 5.369 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.301 -16.224 4.776 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.676 -15.259 3.481 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.563 -16.248 2.021 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.771 -17.142 2.585 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.628 -17.305 1.518 1.00 0.00 H new ATOM 686 N ILE A 45 2.434 -9.765 2.873 1.00 0.00 N ATOM 687 CA ILE A 45 3.477 -9.438 1.860 1.00 0.00 C ATOM 688 C ILE A 45 4.792 -9.110 2.565 1.00 0.00 C ATOM 689 O ILE A 45 5.837 -9.628 2.223 1.00 0.00 O ATOM 690 CB ILE A 45 3.029 -8.233 1.031 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.773 -8.602 0.239 1.00 0.00 C ATOM 692 CG2 ILE A 45 4.144 -7.834 0.061 1.00 0.00 C ATOM 693 CD1 ILE A 45 1.391 -7.442 -0.681 1.00 0.00 C ATOM 0 H ILE A 45 1.738 -9.036 3.033 1.00 0.00 H new ATOM 0 HA ILE A 45 3.622 -10.296 1.203 1.00 0.00 H new ATOM 0 HB ILE A 45 2.811 -7.396 1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.952 -9.502 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.952 -8.825 0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.823 -6.975 -0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.040 -7.573 0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.364 -8.669 -0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.496 -7.705 -1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.194 -6.552 -0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.210 -7.241 -1.372 1.00 0.00 H new ATOM 705 N ARG A 46 4.750 -8.256 3.547 1.00 0.00 N ATOM 706 CA ARG A 46 5.998 -7.896 4.275 1.00 0.00 C ATOM 707 C ARG A 46 6.455 -9.083 5.128 1.00 0.00 C ATOM 708 O ARG A 46 7.485 -9.036 5.770 1.00 0.00 O ATOM 709 CB ARG A 46 5.729 -6.689 5.176 1.00 0.00 C ATOM 710 CG ARG A 46 6.544 -5.491 4.685 1.00 0.00 C ATOM 711 CD ARG A 46 6.863 -4.570 5.866 1.00 0.00 C ATOM 712 NE ARG A 46 7.938 -5.181 6.696 1.00 0.00 N ATOM 713 CZ ARG A 46 9.180 -4.827 6.517 1.00 0.00 C ATOM 714 NH1 ARG A 46 9.793 -4.114 7.422 1.00 0.00 N ATOM 715 NH2 ARG A 46 9.811 -5.186 5.432 1.00 0.00 N ATOM 0 H ARG A 46 3.905 -7.791 3.878 1.00 0.00 H new ATOM 0 HA ARG A 46 6.780 -7.647 3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.666 -6.446 5.169 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.995 -6.925 6.206 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.467 -5.833 4.218 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.985 -4.945 3.925 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.180 -3.592 5.503 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.969 -4.411 6.469 1.00 0.00 H new ATOM 0 HE ARG A 46 7.703 -5.876 7.404 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.300 -3.833 8.270 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.765 -3.837 7.281 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.332 -5.743 4.724 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.783 -4.909 5.292 1.00 0.00 H new ATOM 729 N THR A 47 5.697 -10.148 5.145 1.00 0.00 N ATOM 730 CA THR A 47 6.093 -11.328 5.962 1.00 0.00 C ATOM 731 C THR A 47 6.795 -12.365 5.076 1.00 0.00 C ATOM 732 O THR A 47 7.932 -12.725 5.313 1.00 0.00 O ATOM 733 CB THR A 47 4.844 -11.952 6.594 1.00 0.00 C ATOM 734 OG1 THR A 47 4.406 -11.138 7.673 1.00 0.00 O ATOM 735 CG2 THR A 47 5.171 -13.354 7.114 1.00 0.00 C ATOM 0 H THR A 47 4.823 -10.250 4.629 1.00 0.00 H new ATOM 0 HA THR A 47 6.778 -11.008 6.747 1.00 0.00 H new ATOM 0 HB THR A 47 4.057 -12.022 5.843 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.530 -10.755 7.459 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.280 -13.793 7.562 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.507 -13.980 6.287 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.960 -13.289 7.864 1.00 0.00 H new ATOM 743 N ASP A 48 6.127 -12.860 4.069 1.00 0.00 N ATOM 744 CA ASP A 48 6.766 -13.885 3.191 1.00 0.00 C ATOM 745 C ASP A 48 6.767 -13.412 1.736 1.00 0.00 C ATOM 746 O ASP A 48 7.710 -13.638 1.005 1.00 0.00 O ATOM 747 CB ASP A 48 5.985 -15.196 3.297 1.00 0.00 C ATOM 748 CG ASP A 48 6.573 -16.222 2.327 1.00 0.00 C ATOM 749 OD1 ASP A 48 6.304 -16.112 1.142 1.00 0.00 O ATOM 750 OD2 ASP A 48 7.282 -17.104 2.786 1.00 0.00 O ATOM 0 H ASP A 48 5.173 -12.602 3.817 1.00 0.00 H new ATOM 0 HA ASP A 48 7.796 -14.037 3.514 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.031 -15.577 4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.933 -15.024 3.068 1.00 0.00 H new ATOM 755 N GLU A 49 5.719 -12.767 1.304 1.00 0.00 N ATOM 756 CA GLU A 49 5.672 -12.296 -0.109 1.00 0.00 C ATOM 757 C GLU A 49 6.683 -11.167 -0.307 1.00 0.00 C ATOM 758 O GLU A 49 7.529 -10.922 0.531 1.00 0.00 O ATOM 759 CB GLU A 49 4.268 -11.786 -0.435 1.00 0.00 C ATOM 760 CG GLU A 49 3.755 -12.473 -1.701 1.00 0.00 C ATOM 761 CD GLU A 49 2.259 -12.760 -1.556 1.00 0.00 C ATOM 762 OE1 GLU A 49 1.900 -13.479 -0.638 1.00 0.00 O ATOM 763 OE2 GLU A 49 1.497 -12.254 -2.365 1.00 0.00 O ATOM 0 H GLU A 49 4.896 -12.546 1.865 1.00 0.00 H new ATOM 0 HA GLU A 49 5.919 -13.125 -0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.595 -11.986 0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.286 -10.705 -0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.932 -11.838 -2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.300 -13.402 -1.869 1.00 0.00 H new ATOM 770 N ASN A 50 6.605 -10.480 -1.411 1.00 0.00 N ATOM 771 CA ASN A 50 7.564 -9.370 -1.664 1.00 0.00 C ATOM 772 C ASN A 50 6.923 -8.040 -1.268 1.00 0.00 C ATOM 773 O ASN A 50 5.960 -7.600 -1.865 1.00 0.00 O ATOM 774 CB ASN A 50 7.928 -9.340 -3.150 1.00 0.00 C ATOM 775 CG ASN A 50 9.260 -10.062 -3.364 1.00 0.00 C ATOM 776 OD1 ASN A 50 9.555 -11.030 -2.690 1.00 0.00 O ATOM 777 ND2 ASN A 50 10.082 -9.632 -4.282 1.00 0.00 N ATOM 0 H ASN A 50 5.919 -10.639 -2.149 1.00 0.00 H new ATOM 0 HA ASN A 50 8.466 -9.527 -1.072 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.144 -9.819 -3.737 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.001 -8.309 -3.497 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.971 -10.108 -4.434 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.835 -8.820 -4.848 1.00 0.00 H new ATOM 784 N GLY A 51 7.453 -7.393 -0.267 1.00 0.00 N ATOM 785 CA GLY A 51 6.879 -6.089 0.167 1.00 0.00 C ATOM 786 C GLY A 51 6.751 -5.158 -1.041 1.00 0.00 C ATOM 787 O GLY A 51 6.004 -4.200 -1.021 1.00 0.00 O ATOM 0 H GLY A 51 8.260 -7.712 0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.902 -6.244 0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.517 -5.633 0.924 1.00 0.00 H new ATOM 791 N LEU A 52 7.474 -5.429 -2.094 1.00 0.00 N ATOM 792 CA LEU A 52 7.391 -4.559 -3.299 1.00 0.00 C ATOM 793 C LEU A 52 5.946 -4.514 -3.801 1.00 0.00 C ATOM 794 O LEU A 52 5.088 -5.231 -3.324 1.00 0.00 O ATOM 795 CB LEU A 52 8.295 -5.118 -4.401 1.00 0.00 C ATOM 796 CG LEU A 52 9.752 -5.122 -3.929 1.00 0.00 C ATOM 797 CD1 LEU A 52 10.676 -5.298 -5.134 1.00 0.00 C ATOM 798 CD2 LEU A 52 10.073 -3.795 -3.234 1.00 0.00 C ATOM 0 H LEU A 52 8.118 -6.216 -2.171 1.00 0.00 H new ATOM 0 HA LEU A 52 7.717 -3.552 -3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.985 -6.130 -4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.198 -4.515 -5.304 1.00 0.00 H new ATOM 0 HG LEU A 52 9.902 -5.943 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.713 -5.301 -4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.452 -6.243 -5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.523 -4.476 -5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.110 -3.801 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.922 -2.972 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.415 -3.666 -2.374 1.00 0.00 H new ATOM 810 N CYS A 53 5.676 -3.677 -4.763 1.00 0.00 N ATOM 811 CA CYS A 53 4.294 -3.574 -5.309 1.00 0.00 C ATOM 812 C CYS A 53 4.144 -4.548 -6.485 1.00 0.00 C ATOM 813 O CYS A 53 4.867 -4.449 -7.455 1.00 0.00 O ATOM 814 CB CYS A 53 4.052 -2.143 -5.803 1.00 0.00 C ATOM 815 SG CYS A 53 2.364 -1.991 -6.443 1.00 0.00 S ATOM 0 H CYS A 53 6.358 -3.055 -5.198 1.00 0.00 H new ATOM 0 HA CYS A 53 3.571 -3.821 -4.532 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.206 -1.436 -4.988 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.770 -1.892 -6.583 1.00 0.00 H new ATOM 0 HG CYS A 53 2.303 -0.992 -7.273 1.00 0.00 H new ATOM 820 N PRO A 54 3.210 -5.460 -6.370 1.00 0.00 N ATOM 821 CA PRO A 54 2.949 -6.459 -7.422 1.00 0.00 C ATOM 822 C PRO A 54 2.106 -5.854 -8.554 1.00 0.00 C ATOM 823 O PRO A 54 1.502 -6.565 -9.332 1.00 0.00 O ATOM 824 CB PRO A 54 2.162 -7.550 -6.690 1.00 0.00 C ATOM 825 CG PRO A 54 1.526 -6.873 -5.451 1.00 0.00 C ATOM 826 CD PRO A 54 2.336 -5.589 -5.187 1.00 0.00 C ATOM 0 HA PRO A 54 3.861 -6.829 -7.890 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.395 -7.976 -7.337 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.818 -8.368 -6.392 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.477 -6.639 -5.633 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.559 -7.537 -4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.684 -4.723 -5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.918 -5.668 -4.269 1.00 0.00 H new ATOM 834 N ALA A 55 2.050 -4.552 -8.651 1.00 0.00 N ATOM 835 CA ALA A 55 1.235 -3.927 -9.730 1.00 0.00 C ATOM 836 C ALA A 55 2.011 -2.784 -10.399 1.00 0.00 C ATOM 837 O ALA A 55 1.766 -2.453 -11.542 1.00 0.00 O ATOM 838 CB ALA A 55 -0.060 -3.378 -9.128 1.00 0.00 C ATOM 0 H ALA A 55 2.531 -3.899 -8.033 1.00 0.00 H new ATOM 0 HA ALA A 55 1.007 -4.682 -10.483 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.661 -2.919 -9.914 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.622 -4.192 -8.670 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.179 -2.631 -8.371 1.00 0.00 H new ATOM 844 N CYS A 56 2.937 -2.170 -9.708 1.00 0.00 N ATOM 845 CA CYS A 56 3.697 -1.051 -10.338 1.00 0.00 C ATOM 846 C CYS A 56 5.171 -1.088 -9.904 1.00 0.00 C ATOM 847 O CYS A 56 5.910 -0.149 -10.121 1.00 0.00 O ATOM 848 CB CYS A 56 3.045 0.290 -9.942 1.00 0.00 C ATOM 849 SG CYS A 56 3.762 0.941 -8.404 1.00 0.00 S ATOM 0 H CYS A 56 3.197 -2.392 -8.747 1.00 0.00 H new ATOM 0 HA CYS A 56 3.666 -1.158 -11.422 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.181 1.015 -10.745 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.971 0.152 -9.816 1.00 0.00 H new ATOM 0 HG CYS A 56 5.051 1.048 -8.537 1.00 0.00 H new ATOM 854 N ARG A 57 5.604 -2.157 -9.294 1.00 0.00 N ATOM 855 CA ARG A 57 7.029 -2.232 -8.855 1.00 0.00 C ATOM 856 C ARG A 57 7.337 -1.054 -7.929 1.00 0.00 C ATOM 857 O ARG A 57 7.437 0.078 -8.360 1.00 0.00 O ATOM 858 CB ARG A 57 7.946 -2.170 -10.079 1.00 0.00 C ATOM 859 CG ARG A 57 7.825 -3.470 -10.878 1.00 0.00 C ATOM 860 CD ARG A 57 9.207 -4.108 -11.025 1.00 0.00 C ATOM 861 NE ARG A 57 10.003 -3.342 -12.024 1.00 0.00 N ATOM 862 CZ ARG A 57 10.975 -3.926 -12.672 1.00 0.00 C ATOM 863 NH1 ARG A 57 11.617 -4.921 -12.124 1.00 0.00 N ATOM 864 NH2 ARG A 57 11.305 -3.513 -13.865 1.00 0.00 N ATOM 0 H ARG A 57 5.038 -2.978 -9.081 1.00 0.00 H new ATOM 0 HA ARG A 57 7.197 -3.169 -8.324 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.676 -1.320 -10.705 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.979 -2.019 -9.765 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.147 -4.158 -10.373 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.400 -3.267 -11.861 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.720 -4.115 -10.063 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.108 -5.146 -11.342 1.00 0.00 H new ATOM 0 HE ARG A 57 9.789 -2.361 -12.202 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.360 -5.242 -11.191 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.376 -5.378 -12.629 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.804 -2.734 -14.292 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.064 -3.969 -14.371 1.00 0.00 H new ATOM 878 N LYS A 58 7.490 -1.315 -6.660 1.00 0.00 N ATOM 879 CA LYS A 58 7.794 -0.223 -5.689 1.00 0.00 C ATOM 880 C LYS A 58 7.777 -0.801 -4.268 1.00 0.00 C ATOM 881 O LYS A 58 6.874 -1.530 -3.915 1.00 0.00 O ATOM 882 CB LYS A 58 6.729 0.874 -5.795 1.00 0.00 C ATOM 883 CG LYS A 58 7.105 2.040 -4.880 1.00 0.00 C ATOM 884 CD LYS A 58 8.076 2.970 -5.610 1.00 0.00 C ATOM 885 CE LYS A 58 7.321 4.197 -6.126 1.00 0.00 C ATOM 886 NZ LYS A 58 7.221 5.212 -5.039 1.00 0.00 N ATOM 0 H LYS A 58 7.417 -2.246 -6.250 1.00 0.00 H new ATOM 0 HA LYS A 58 8.774 0.200 -5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.648 1.218 -6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.754 0.477 -5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.210 2.589 -4.587 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.563 1.665 -3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.875 3.279 -4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.545 2.443 -6.441 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.838 4.620 -6.987 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.325 3.909 -6.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.708 6.046 -5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.709 4.805 -4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.176 5.494 -4.738 1.00 0.00 H new ATOM 900 N PRO A 59 8.770 -0.458 -3.491 1.00 0.00 N ATOM 901 CA PRO A 59 8.880 -0.941 -2.105 1.00 0.00 C ATOM 902 C PRO A 59 7.887 -0.200 -1.209 1.00 0.00 C ATOM 903 O PRO A 59 7.954 1.003 -1.056 1.00 0.00 O ATOM 904 CB PRO A 59 10.327 -0.620 -1.723 1.00 0.00 C ATOM 905 CG PRO A 59 10.789 0.504 -2.679 1.00 0.00 C ATOM 906 CD PRO A 59 9.863 0.443 -3.908 1.00 0.00 C ATOM 0 HA PRO A 59 8.651 -2.001 -1.995 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.392 -0.298 -0.684 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.960 -1.501 -1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.724 1.477 -2.193 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.830 0.362 -2.970 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.486 1.431 -4.173 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.386 0.057 -4.783 1.00 0.00 H new ATOM 914 N TYR A 60 6.962 -0.910 -0.624 1.00 0.00 N ATOM 915 CA TYR A 60 5.956 -0.251 0.257 1.00 0.00 C ATOM 916 C TYR A 60 6.644 0.799 1.131 1.00 0.00 C ATOM 917 O TYR A 60 7.813 0.678 1.441 1.00 0.00 O ATOM 918 CB TYR A 60 5.286 -1.303 1.145 1.00 0.00 C ATOM 919 CG TYR A 60 4.558 -2.320 0.289 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.369 -2.088 -1.081 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.068 -3.496 0.870 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.693 -3.029 -1.866 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.391 -4.437 0.084 1.00 0.00 C ATOM 924 CZ TYR A 60 3.203 -4.204 -1.282 1.00 0.00 C ATOM 925 OH TYR A 60 2.535 -5.130 -2.056 1.00 0.00 O ATOM 0 H TYR A 60 6.859 -1.920 -0.718 1.00 0.00 H new ATOM 0 HA TYR A 60 5.200 0.236 -0.359 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.035 -1.803 1.759 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.585 -0.822 1.827 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.746 -1.181 -1.531 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.212 -3.678 1.925 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.549 -2.849 -2.921 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.014 -5.344 0.533 1.00 0.00 H new ATOM 0 HH TYR A 60 1.569 -5.026 -1.930 1.00 0.00 H new ATOM 935 N PRO A 61 5.894 1.809 1.498 1.00 0.00 N ATOM 936 CA PRO A 61 6.404 2.911 2.332 1.00 0.00 C ATOM 937 C PRO A 61 6.484 2.479 3.799 1.00 0.00 C ATOM 938 O PRO A 61 5.518 2.552 4.533 1.00 0.00 O ATOM 939 CB PRO A 61 5.362 4.018 2.140 1.00 0.00 C ATOM 940 CG PRO A 61 4.059 3.319 1.686 1.00 0.00 C ATOM 941 CD PRO A 61 4.471 1.947 1.117 1.00 0.00 C ATOM 0 HA PRO A 61 7.410 3.229 2.057 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.204 4.568 3.068 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.695 4.740 1.394 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.371 3.201 2.523 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.544 3.913 0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.866 1.144 1.538 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.343 1.910 0.035 1.00 0.00 H new