USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=13 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 21:sc= -0.703 USER MOD Set 1.2: A 33 CYS SG : rot -78:sc= -1.36! USER MOD Set 1.3: A 53 CYS SG : rot -173:sc= 0.159 USER MOD Set 1.4: A 56 CYS SG : rot -58:sc= -1.52 USER MOD Set 2.1: A 14 CYS SG : rot 155:sc= -0.493! USER MOD Set 2.2: A 17 CYS SG : rot -79:sc= 0.0104 USER MOD Set 2.3: A 38 CYS SG : rot -140:sc= 0.529 USER MOD Set 2.4: A 41 CYS SG : rot 145:sc= -1.16 USER MOD Single : A 18 MET CE :methyl 169:sc= -0.0232 (180deg=-0.303) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00456 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -4.98! C(o=-5!,f=-6!) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 47 THR OG1 : rot 57:sc= -0.126 USER MOD Single : A 50 ASN : amide:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 35:sc= -3.79! USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -14.439 1.580 -0.723 1.00 0.00 N ATOM 166 CA VAL A 12 -13.532 0.736 -1.550 1.00 0.00 C ATOM 167 C VAL A 12 -13.397 -0.654 -0.921 1.00 0.00 C ATOM 168 O VAL A 12 -13.688 -0.853 0.243 1.00 0.00 O ATOM 169 CB VAL A 12 -12.155 1.394 -1.626 1.00 0.00 C ATOM 170 CG1 VAL A 12 -11.279 0.634 -2.623 1.00 0.00 C ATOM 171 CG2 VAL A 12 -12.309 2.846 -2.087 1.00 0.00 C ATOM 0 HA VAL A 12 -13.948 0.638 -2.553 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.688 1.371 -0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.297 1.104 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.169 -0.400 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.746 0.656 -3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.327 3.316 -2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.777 2.868 -3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.933 3.389 -1.377 1.00 0.00 H new ATOM 181 N GLU A 13 -12.951 -1.616 -1.684 1.00 0.00 N ATOM 182 CA GLU A 13 -12.789 -2.993 -1.135 1.00 0.00 C ATOM 183 C GLU A 13 -11.442 -3.564 -1.586 1.00 0.00 C ATOM 184 O GLU A 13 -10.876 -3.139 -2.573 1.00 0.00 O ATOM 185 CB GLU A 13 -13.923 -3.887 -1.645 1.00 0.00 C ATOM 186 CG GLU A 13 -14.094 -3.694 -3.153 1.00 0.00 C ATOM 187 CD GLU A 13 -15.161 -4.660 -3.669 1.00 0.00 C ATOM 188 OE1 GLU A 13 -15.564 -5.525 -2.909 1.00 0.00 O ATOM 189 OE2 GLU A 13 -15.560 -4.516 -4.813 1.00 0.00 O ATOM 0 H GLU A 13 -12.692 -1.507 -2.664 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.823 -2.957 -0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.702 -4.932 -1.425 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.852 -3.642 -1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.383 -2.666 -3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.148 -3.873 -3.664 1.00 0.00 H new ATOM 196 N CYS A 14 -10.922 -4.524 -0.868 1.00 0.00 N ATOM 197 CA CYS A 14 -9.610 -5.116 -1.254 1.00 0.00 C ATOM 198 C CYS A 14 -9.748 -5.842 -2.600 1.00 0.00 C ATOM 199 O CYS A 14 -10.524 -6.771 -2.718 1.00 0.00 O ATOM 200 CB CYS A 14 -9.169 -6.117 -0.184 1.00 0.00 C ATOM 201 SG CYS A 14 -7.390 -6.414 -0.343 1.00 0.00 S ATOM 0 H CYS A 14 -11.349 -4.923 -0.032 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.868 -4.322 -1.343 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.398 -5.730 0.809 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.717 -7.052 -0.296 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.909 -6.791 0.804 1.00 0.00 H new ATOM 206 N PRO A 15 -8.995 -5.399 -3.577 1.00 0.00 N ATOM 207 CA PRO A 15 -9.019 -5.993 -4.925 1.00 0.00 C ATOM 208 C PRO A 15 -8.195 -7.286 -4.973 1.00 0.00 C ATOM 209 O PRO A 15 -7.923 -7.814 -6.033 1.00 0.00 O ATOM 210 CB PRO A 15 -8.380 -4.914 -5.804 1.00 0.00 C ATOM 211 CG PRO A 15 -7.524 -4.034 -4.861 1.00 0.00 C ATOM 212 CD PRO A 15 -8.057 -4.266 -3.435 1.00 0.00 C ATOM 0 HA PRO A 15 -10.024 -6.267 -5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.763 -5.362 -6.583 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.143 -4.318 -6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.470 -4.305 -4.929 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.601 -2.982 -5.137 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.250 -4.502 -2.742 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.560 -3.379 -3.049 1.00 0.00 H new ATOM 220 N LEU A 16 -7.790 -7.800 -3.843 1.00 0.00 N ATOM 221 CA LEU A 16 -6.982 -9.058 -3.853 1.00 0.00 C ATOM 222 C LEU A 16 -7.663 -10.120 -2.986 1.00 0.00 C ATOM 223 O LEU A 16 -7.465 -11.304 -3.177 1.00 0.00 O ATOM 224 CB LEU A 16 -5.566 -8.800 -3.314 1.00 0.00 C ATOM 225 CG LEU A 16 -5.359 -7.311 -3.021 1.00 0.00 C ATOM 226 CD1 LEU A 16 -4.172 -7.142 -2.069 1.00 0.00 C ATOM 227 CD2 LEU A 16 -5.069 -6.569 -4.328 1.00 0.00 C ATOM 0 H LEU A 16 -7.980 -7.409 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.911 -9.410 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.407 -9.380 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.828 -9.138 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.259 -6.902 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.022 -6.083 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.374 -7.672 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.274 -7.551 -2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.922 -5.509 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.168 -6.977 -4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.910 -6.691 -5.010 1.00 0.00 H new ATOM 239 N CYS A 17 -8.463 -9.718 -2.039 1.00 0.00 N ATOM 240 CA CYS A 17 -9.148 -10.720 -1.176 1.00 0.00 C ATOM 241 C CYS A 17 -10.618 -10.327 -1.013 1.00 0.00 C ATOM 242 O CYS A 17 -11.357 -10.937 -0.265 1.00 0.00 O ATOM 243 CB CYS A 17 -8.457 -10.782 0.196 1.00 0.00 C ATOM 244 SG CYS A 17 -8.960 -9.372 1.217 1.00 0.00 S ATOM 0 H CYS A 17 -8.672 -8.743 -1.825 1.00 0.00 H new ATOM 0 HA CYS A 17 -9.091 -11.705 -1.640 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.715 -11.714 0.699 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.375 -10.778 0.066 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.297 -8.314 0.853 1.00 0.00 H new ATOM 249 N MET A 18 -11.047 -9.311 -1.710 1.00 0.00 N ATOM 250 CA MET A 18 -12.464 -8.872 -1.604 1.00 0.00 C ATOM 251 C MET A 18 -12.842 -8.709 -0.130 1.00 0.00 C ATOM 252 O MET A 18 -13.253 -9.647 0.525 1.00 0.00 O ATOM 253 CB MET A 18 -13.374 -9.916 -2.252 1.00 0.00 C ATOM 254 CG MET A 18 -14.807 -9.384 -2.305 1.00 0.00 C ATOM 255 SD MET A 18 -15.969 -10.768 -2.200 1.00 0.00 S ATOM 256 CE MET A 18 -16.204 -10.731 -0.406 1.00 0.00 C ATOM 0 H MET A 18 -10.473 -8.764 -2.351 1.00 0.00 H new ATOM 0 HA MET A 18 -12.585 -7.918 -2.117 1.00 0.00 H new ATOM 0 HB2 MET A 18 -13.023 -10.145 -3.258 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.341 -10.845 -1.683 1.00 0.00 H new ATOM 0 HG2 MET A 18 -14.979 -8.688 -1.484 1.00 0.00 H new ATOM 0 HG3 MET A 18 -14.967 -8.831 -3.230 1.00 0.00 H new ATOM 0 HE1 MET A 18 -17.037 -11.379 -0.135 1.00 0.00 H new ATOM 0 HE2 MET A 18 -15.297 -11.081 0.087 1.00 0.00 H new ATOM 0 HE3 MET A 18 -16.420 -9.711 -0.088 1.00 0.00 H new ATOM 266 N GLU A 19 -12.707 -7.523 0.395 1.00 0.00 N ATOM 267 CA GLU A 19 -13.060 -7.294 1.823 1.00 0.00 C ATOM 268 C GLU A 19 -13.458 -5.827 2.018 1.00 0.00 C ATOM 269 O GLU A 19 -13.223 -5.004 1.155 1.00 0.00 O ATOM 270 CB GLU A 19 -11.855 -7.623 2.706 1.00 0.00 C ATOM 271 CG GLU A 19 -12.201 -8.802 3.616 1.00 0.00 C ATOM 272 CD GLU A 19 -11.349 -8.738 4.883 1.00 0.00 C ATOM 273 OE1 GLU A 19 -10.990 -7.639 5.276 1.00 0.00 O ATOM 274 OE2 GLU A 19 -11.069 -9.786 5.438 1.00 0.00 O ATOM 0 H GLU A 19 -12.367 -6.701 -0.105 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.895 -7.936 2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.992 -7.868 2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.581 -6.755 3.305 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.259 -8.776 3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.024 -9.742 3.094 1.00 0.00 H new ATOM 281 N PRO A 20 -14.057 -5.547 3.147 1.00 0.00 N ATOM 282 CA PRO A 20 -14.513 -4.188 3.489 1.00 0.00 C ATOM 283 C PRO A 20 -13.334 -3.321 3.939 1.00 0.00 C ATOM 284 O PRO A 20 -12.646 -3.636 4.889 1.00 0.00 O ATOM 285 CB PRO A 20 -15.492 -4.419 4.643 1.00 0.00 C ATOM 286 CG PRO A 20 -15.119 -5.787 5.263 1.00 0.00 C ATOM 287 CD PRO A 20 -14.333 -6.559 4.188 1.00 0.00 C ATOM 0 HA PRO A 20 -14.967 -3.665 2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.415 -3.623 5.383 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.521 -4.422 4.285 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.517 -5.654 6.162 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.014 -6.336 5.557 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.411 -6.977 4.592 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.914 -7.392 3.791 1.00 0.00 H new ATOM 295 N LEU A 21 -13.097 -2.230 3.263 1.00 0.00 N ATOM 296 CA LEU A 21 -11.964 -1.343 3.655 1.00 0.00 C ATOM 297 C LEU A 21 -12.433 -0.370 4.738 1.00 0.00 C ATOM 298 O LEU A 21 -13.283 0.466 4.509 1.00 0.00 O ATOM 299 CB LEU A 21 -11.487 -0.558 2.432 1.00 0.00 C ATOM 300 CG LEU A 21 -10.575 -1.441 1.581 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.320 -0.760 0.235 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.244 -1.649 2.309 1.00 0.00 C ATOM 0 H LEU A 21 -13.638 -1.915 2.458 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.143 -1.947 4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.342 -0.227 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.952 0.337 2.748 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.053 -2.406 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.670 -1.389 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.268 -0.611 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.841 0.205 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.592 -2.279 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.765 -0.684 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.426 -2.133 3.269 1.00 0.00 H new ATOM 314 N GLU A 22 -11.886 -0.473 5.918 1.00 0.00 N ATOM 315 CA GLU A 22 -12.301 0.445 7.016 1.00 0.00 C ATOM 316 C GLU A 22 -12.026 1.895 6.609 1.00 0.00 C ATOM 317 O GLU A 22 -11.629 2.173 5.495 1.00 0.00 O ATOM 318 CB GLU A 22 -11.506 0.115 8.281 1.00 0.00 C ATOM 319 CG GLU A 22 -12.468 -0.289 9.401 1.00 0.00 C ATOM 320 CD GLU A 22 -13.126 -1.625 9.056 1.00 0.00 C ATOM 321 OE1 GLU A 22 -13.641 -1.743 7.956 1.00 0.00 O ATOM 322 OE2 GLU A 22 -13.106 -2.509 9.897 1.00 0.00 O ATOM 0 H GLU A 22 -11.169 -1.154 6.169 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.367 0.319 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.804 -0.695 8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.917 0.979 8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.929 -0.371 10.345 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.230 0.479 9.534 1.00 0.00 H new ATOM 329 N ILE A 23 -12.232 2.819 7.506 1.00 0.00 N ATOM 330 CA ILE A 23 -11.982 4.251 7.178 1.00 0.00 C ATOM 331 C ILE A 23 -10.476 4.474 6.999 1.00 0.00 C ATOM 332 O ILE A 23 -10.046 5.166 6.099 1.00 0.00 O ATOM 333 CB ILE A 23 -12.507 5.129 8.320 1.00 0.00 C ATOM 334 CG1 ILE A 23 -14.023 5.280 8.184 1.00 0.00 C ATOM 335 CG2 ILE A 23 -11.853 6.513 8.263 1.00 0.00 C ATOM 336 CD1 ILE A 23 -14.706 3.988 8.633 1.00 0.00 C ATOM 0 H ILE A 23 -12.564 2.644 8.455 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.496 4.515 6.254 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.264 4.659 9.273 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.372 6.117 8.789 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.286 5.502 7.150 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.233 7.129 9.078 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.772 6.409 8.360 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.088 6.987 7.310 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -15.786 4.095 8.536 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.366 3.161 8.010 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.453 3.785 9.674 1.00 0.00 H new ATOM 348 N ASP A 24 -9.675 3.898 7.851 1.00 0.00 N ATOM 349 CA ASP A 24 -8.202 4.085 7.728 1.00 0.00 C ATOM 350 C ASP A 24 -7.636 3.062 6.740 1.00 0.00 C ATOM 351 O ASP A 24 -6.493 3.141 6.338 1.00 0.00 O ATOM 352 CB ASP A 24 -7.545 3.886 9.095 1.00 0.00 C ATOM 353 CG ASP A 24 -8.084 4.925 10.080 1.00 0.00 C ATOM 354 OD1 ASP A 24 -9.128 4.678 10.659 1.00 0.00 O ATOM 355 OD2 ASP A 24 -7.442 5.951 10.239 1.00 0.00 O ATOM 0 H ASP A 24 -9.975 3.307 8.626 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.995 5.093 7.367 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.748 2.881 9.464 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.463 3.981 9.007 1.00 0.00 H new ATOM 360 N ASP A 25 -8.427 2.102 6.348 1.00 0.00 N ATOM 361 CA ASP A 25 -7.934 1.072 5.389 1.00 0.00 C ATOM 362 C ASP A 25 -8.198 1.541 3.956 1.00 0.00 C ATOM 363 O ASP A 25 -7.676 0.989 3.007 1.00 0.00 O ATOM 364 CB ASP A 25 -8.665 -0.249 5.640 1.00 0.00 C ATOM 365 CG ASP A 25 -7.989 -0.996 6.791 1.00 0.00 C ATOM 366 OD1 ASP A 25 -7.048 -0.457 7.349 1.00 0.00 O ATOM 367 OD2 ASP A 25 -8.425 -2.093 7.097 1.00 0.00 O ATOM 0 H ASP A 25 -9.394 1.986 6.650 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.863 0.926 5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.711 -0.058 5.881 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.652 -0.861 4.738 1.00 0.00 H new ATOM 372 N ILE A 26 -9.002 2.556 3.790 1.00 0.00 N ATOM 373 CA ILE A 26 -9.296 3.059 2.426 1.00 0.00 C ATOM 374 C ILE A 26 -8.181 4.018 1.994 1.00 0.00 C ATOM 375 O ILE A 26 -7.840 4.106 0.831 1.00 0.00 O ATOM 376 CB ILE A 26 -10.650 3.777 2.435 1.00 0.00 C ATOM 377 CG1 ILE A 26 -10.746 4.711 1.239 1.00 0.00 C ATOM 378 CG2 ILE A 26 -10.786 4.597 3.711 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.158 5.292 1.155 1.00 0.00 C ATOM 0 H ILE A 26 -9.468 3.058 4.546 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.342 2.230 1.719 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.445 3.033 2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.016 5.515 1.333 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.509 4.171 0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.750 5.107 3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.721 3.937 4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.985 5.335 3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.226 5.961 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.879 4.482 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.378 5.847 2.067 1.00 0.00 H new ATOM 391 N ASN A 27 -7.605 4.730 2.925 1.00 0.00 N ATOM 392 CA ASN A 27 -6.506 5.672 2.572 1.00 0.00 C ATOM 393 C ASN A 27 -5.173 5.085 3.040 1.00 0.00 C ATOM 394 O ASN A 27 -4.154 5.748 3.036 1.00 0.00 O ATOM 395 CB ASN A 27 -6.744 7.018 3.261 1.00 0.00 C ATOM 396 CG ASN A 27 -6.662 8.143 2.228 1.00 0.00 C ATOM 397 OD1 ASN A 27 -5.585 8.567 1.857 1.00 0.00 O ATOM 398 ND2 ASN A 27 -7.763 8.649 1.743 1.00 0.00 N ATOM 0 H ASN A 27 -7.849 4.699 3.915 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.482 5.821 1.492 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.721 7.024 3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.002 7.174 4.044 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.719 9.399 1.053 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.667 8.294 2.053 1.00 0.00 H new ATOM 405 N PHE A 28 -5.174 3.843 3.443 1.00 0.00 N ATOM 406 CA PHE A 28 -3.913 3.205 3.912 1.00 0.00 C ATOM 407 C PHE A 28 -3.391 2.266 2.822 1.00 0.00 C ATOM 408 O PHE A 28 -3.626 1.075 2.850 1.00 0.00 O ATOM 409 CB PHE A 28 -4.197 2.407 5.191 1.00 0.00 C ATOM 410 CG PHE A 28 -3.065 1.441 5.460 1.00 0.00 C ATOM 411 CD1 PHE A 28 -1.756 1.916 5.598 1.00 0.00 C ATOM 412 CD2 PHE A 28 -3.328 0.070 5.570 1.00 0.00 C ATOM 413 CE1 PHE A 28 -0.709 1.019 5.847 1.00 0.00 C ATOM 414 CE2 PHE A 28 -2.281 -0.827 5.819 1.00 0.00 C ATOM 415 CZ PHE A 28 -0.972 -0.352 5.958 1.00 0.00 C ATOM 0 H PHE A 28 -5.998 3.242 3.467 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.164 3.969 4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.314 3.087 6.035 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.135 1.861 5.088 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.553 2.973 5.513 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.338 -0.296 5.463 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.301 1.385 5.953 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.484 -1.884 5.904 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.165 -1.043 6.151 1.00 0.00 H new ATOM 425 N PHE A 29 -2.685 2.792 1.862 1.00 0.00 N ATOM 426 CA PHE A 29 -2.152 1.923 0.776 1.00 0.00 C ATOM 427 C PHE A 29 -0.672 1.632 1.032 1.00 0.00 C ATOM 428 O PHE A 29 0.065 2.506 1.445 1.00 0.00 O ATOM 429 CB PHE A 29 -2.301 2.626 -0.576 1.00 0.00 C ATOM 430 CG PHE A 29 -2.137 4.114 -0.393 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.859 4.689 -0.412 1.00 0.00 C ATOM 432 CD2 PHE A 29 -3.266 4.917 -0.200 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.715 6.072 -0.240 1.00 0.00 C ATOM 434 CE2 PHE A 29 -3.123 6.296 -0.027 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.848 6.875 -0.048 1.00 0.00 C ATOM 0 H PHE A 29 -2.454 3.782 1.782 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.713 0.989 0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.555 2.251 -1.276 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.279 2.408 -1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.012 4.068 -0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.249 4.471 -0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.268 6.519 -0.255 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.995 6.915 0.123 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.737 7.941 0.084 1.00 0.00 H new ATOM 445 N PRO A 30 -0.280 0.411 0.773 1.00 0.00 N ATOM 446 CA PRO A 30 1.110 -0.029 0.963 1.00 0.00 C ATOM 447 C PRO A 30 1.969 0.417 -0.223 1.00 0.00 C ATOM 448 O PRO A 30 3.169 0.249 -0.227 1.00 0.00 O ATOM 449 CB PRO A 30 0.998 -1.555 1.006 1.00 0.00 C ATOM 450 CG PRO A 30 -0.318 -1.918 0.276 1.00 0.00 C ATOM 451 CD PRO A 30 -1.184 -0.645 0.274 1.00 0.00 C ATOM 0 HA PRO A 30 1.577 0.386 1.857 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.854 -2.021 0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.983 -1.914 2.035 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.117 -2.252 -0.742 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.831 -2.735 0.784 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.551 -0.415 -0.726 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.058 -0.757 0.916 1.00 0.00 H new ATOM 459 N CYS A 31 1.362 0.974 -1.234 1.00 0.00 N ATOM 460 CA CYS A 31 2.148 1.417 -2.419 1.00 0.00 C ATOM 461 C CYS A 31 1.701 2.817 -2.849 1.00 0.00 C ATOM 462 O CYS A 31 0.666 3.303 -2.440 1.00 0.00 O ATOM 463 CB CYS A 31 1.919 0.436 -3.568 1.00 0.00 C ATOM 464 SG CYS A 31 3.163 0.717 -4.851 1.00 0.00 S ATOM 0 H CYS A 31 0.357 1.141 -1.291 1.00 0.00 H new ATOM 0 HA CYS A 31 3.206 1.444 -2.160 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.981 -0.589 -3.204 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.919 0.568 -3.980 1.00 0.00 H new ATOM 0 HG CYS A 31 4.184 1.336 -4.337 1.00 0.00 H new ATOM 469 N THR A 32 2.481 3.465 -3.672 1.00 0.00 N ATOM 470 CA THR A 32 2.118 4.832 -4.134 1.00 0.00 C ATOM 471 C THR A 32 1.198 4.740 -5.356 1.00 0.00 C ATOM 472 O THR A 32 0.307 5.547 -5.533 1.00 0.00 O ATOM 473 CB THR A 32 3.392 5.590 -4.511 1.00 0.00 C ATOM 474 OG1 THR A 32 4.015 4.942 -5.611 1.00 0.00 O ATOM 475 CG2 THR A 32 4.349 5.607 -3.318 1.00 0.00 C ATOM 0 H THR A 32 3.358 3.102 -4.045 1.00 0.00 H new ATOM 0 HA THR A 32 1.598 5.359 -3.334 1.00 0.00 H new ATOM 0 HB THR A 32 3.140 6.614 -4.786 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.831 5.426 -5.856 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.257 6.147 -3.587 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.869 6.102 -2.474 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.604 4.584 -3.042 1.00 0.00 H new ATOM 483 N CYS A 33 1.406 3.771 -6.207 1.00 0.00 N ATOM 484 CA CYS A 33 0.540 3.649 -7.416 1.00 0.00 C ATOM 485 C CYS A 33 -0.930 3.797 -7.012 1.00 0.00 C ATOM 486 O CYS A 33 -1.760 4.202 -7.801 1.00 0.00 O ATOM 487 CB CYS A 33 0.760 2.287 -8.082 1.00 0.00 C ATOM 488 SG CYS A 33 0.125 0.970 -7.015 1.00 0.00 S ATOM 0 H CYS A 33 2.134 3.062 -6.118 1.00 0.00 H new ATOM 0 HA CYS A 33 0.801 4.436 -8.124 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.256 2.259 -9.048 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.822 2.133 -8.272 1.00 0.00 H new ATOM 0 HG CYS A 33 0.976 0.737 -6.060 1.00 0.00 H new ATOM 493 N GLY A 34 -1.257 3.485 -5.788 1.00 0.00 N ATOM 494 CA GLY A 34 -2.673 3.625 -5.339 1.00 0.00 C ATOM 495 C GLY A 34 -3.335 2.248 -5.238 1.00 0.00 C ATOM 496 O GLY A 34 -4.536 2.120 -5.373 1.00 0.00 O ATOM 0 H GLY A 34 -0.608 3.140 -5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.707 4.125 -4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.224 4.251 -6.041 1.00 0.00 H new ATOM 500 N TYR A 35 -2.572 1.217 -4.997 1.00 0.00 N ATOM 501 CA TYR A 35 -3.179 -0.140 -4.886 1.00 0.00 C ATOM 502 C TYR A 35 -3.581 -0.388 -3.431 1.00 0.00 C ATOM 503 O TYR A 35 -3.369 -1.455 -2.890 1.00 0.00 O ATOM 504 CB TYR A 35 -2.166 -1.200 -5.322 1.00 0.00 C ATOM 505 CG TYR A 35 -2.902 -2.373 -5.926 1.00 0.00 C ATOM 506 CD1 TYR A 35 -3.818 -2.162 -6.963 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.666 -3.671 -5.455 1.00 0.00 C ATOM 508 CE1 TYR A 35 -4.499 -3.246 -7.529 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.348 -4.755 -6.021 1.00 0.00 C ATOM 510 CZ TYR A 35 -4.264 -4.543 -7.058 1.00 0.00 C ATOM 511 OH TYR A 35 -4.935 -5.611 -7.618 1.00 0.00 O ATOM 0 H TYR A 35 -1.560 1.255 -4.873 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.057 -0.200 -5.530 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.471 -0.779 -6.048 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.574 -1.528 -4.467 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.000 -1.162 -7.327 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.958 -3.835 -4.656 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.206 -3.082 -8.329 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.167 -5.756 -5.657 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.656 -6.440 -7.177 1.00 0.00 H new ATOM 521 N GLN A 36 -4.155 0.597 -2.795 1.00 0.00 N ATOM 522 CA GLN A 36 -4.569 0.435 -1.370 1.00 0.00 C ATOM 523 C GLN A 36 -5.183 -0.951 -1.156 1.00 0.00 C ATOM 524 O GLN A 36 -6.186 -1.296 -1.749 1.00 0.00 O ATOM 525 CB GLN A 36 -5.601 1.510 -1.001 1.00 0.00 C ATOM 526 CG GLN A 36 -6.345 1.975 -2.256 1.00 0.00 C ATOM 527 CD GLN A 36 -7.779 2.359 -1.886 1.00 0.00 C ATOM 528 OE1 GLN A 36 -8.643 1.509 -1.795 1.00 0.00 O ATOM 529 NE2 GLN A 36 -8.069 3.612 -1.670 1.00 0.00 N ATOM 0 H GLN A 36 -4.356 1.511 -3.202 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.689 0.542 -0.735 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.310 1.111 -0.275 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.103 2.357 -0.529 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.832 2.828 -2.701 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.351 1.181 -3.003 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.343 4.324 -1.747 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.022 3.880 -1.424 1.00 0.00 H new ATOM 538 N ILE A 37 -4.589 -1.744 -0.306 1.00 0.00 N ATOM 539 CA ILE A 37 -5.134 -3.105 -0.042 1.00 0.00 C ATOM 540 C ILE A 37 -5.668 -3.160 1.390 1.00 0.00 C ATOM 541 O ILE A 37 -5.715 -2.163 2.083 1.00 0.00 O ATOM 542 CB ILE A 37 -4.024 -4.146 -0.216 1.00 0.00 C ATOM 543 CG1 ILE A 37 -3.052 -4.057 0.965 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.270 -3.873 -1.518 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.895 -5.034 0.750 1.00 0.00 C ATOM 0 H ILE A 37 -3.747 -1.506 0.218 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.940 -3.320 -0.744 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.462 -5.143 -0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.670 -3.040 1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.571 -4.290 1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.480 -4.613 -1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.961 -3.935 -2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.831 -2.876 -1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.204 -4.970 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.285 -6.049 0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.371 -4.780 -0.171 1.00 0.00 H new ATOM 557 N CYS A 38 -6.068 -4.316 1.844 1.00 0.00 N ATOM 558 CA CYS A 38 -6.590 -4.424 3.233 1.00 0.00 C ATOM 559 C CYS A 38 -5.430 -4.756 4.182 1.00 0.00 C ATOM 560 O CYS A 38 -4.346 -5.097 3.752 1.00 0.00 O ATOM 561 CB CYS A 38 -7.680 -5.507 3.291 1.00 0.00 C ATOM 562 SG CYS A 38 -6.938 -7.156 3.379 1.00 0.00 S ATOM 0 H CYS A 38 -6.056 -5.187 1.314 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.034 -3.478 3.543 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.317 -5.343 4.160 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.318 -5.436 2.410 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.616 -7.977 2.633 1.00 0.00 H new ATOM 567 N ARG A 39 -5.641 -4.646 5.465 1.00 0.00 N ATOM 568 CA ARG A 39 -4.539 -4.938 6.431 1.00 0.00 C ATOM 569 C ARG A 39 -4.237 -6.438 6.453 1.00 0.00 C ATOM 570 O ARG A 39 -3.174 -6.858 6.866 1.00 0.00 O ATOM 571 CB ARG A 39 -4.957 -4.488 7.830 1.00 0.00 C ATOM 572 CG ARG A 39 -4.074 -3.321 8.276 1.00 0.00 C ATOM 573 CD ARG A 39 -4.956 -2.144 8.695 1.00 0.00 C ATOM 574 NE ARG A 39 -5.607 -2.451 9.999 1.00 0.00 N ATOM 575 CZ ARG A 39 -5.171 -1.893 11.095 1.00 0.00 C ATOM 576 NH1 ARG A 39 -4.701 -2.633 12.062 1.00 0.00 N ATOM 577 NH2 ARG A 39 -5.203 -0.594 11.224 1.00 0.00 N ATOM 0 H ARG A 39 -6.526 -4.367 5.888 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.644 -4.399 6.119 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.004 -4.186 7.829 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.865 -5.316 8.533 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.440 -3.628 9.108 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.411 -3.022 7.464 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.356 -1.238 8.780 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.713 -1.954 7.934 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.395 -3.098 10.035 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.674 -3.648 11.961 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.360 -2.197 12.919 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.569 -0.015 10.468 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.862 -0.158 12.081 1.00 0.00 H new ATOM 591 N PHE A 40 -5.159 -7.249 6.021 1.00 0.00 N ATOM 592 CA PHE A 40 -4.918 -8.720 6.030 1.00 0.00 C ATOM 593 C PHE A 40 -4.039 -9.107 4.839 1.00 0.00 C ATOM 594 O PHE A 40 -3.384 -10.130 4.844 1.00 0.00 O ATOM 595 CB PHE A 40 -6.256 -9.452 5.934 1.00 0.00 C ATOM 596 CG PHE A 40 -6.055 -10.903 6.288 1.00 0.00 C ATOM 597 CD1 PHE A 40 -5.803 -11.270 7.615 1.00 0.00 C ATOM 598 CD2 PHE A 40 -6.122 -11.882 5.291 1.00 0.00 C ATOM 599 CE1 PHE A 40 -5.617 -12.616 7.945 1.00 0.00 C ATOM 600 CE2 PHE A 40 -5.937 -13.229 5.620 1.00 0.00 C ATOM 601 CZ PHE A 40 -5.684 -13.597 6.948 1.00 0.00 C ATOM 0 H PHE A 40 -6.069 -6.959 5.662 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.413 -8.998 6.955 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.981 -8.998 6.609 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.660 -9.364 4.926 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.752 -10.513 8.384 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.317 -11.598 4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.422 -12.899 8.969 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -5.989 -13.985 4.851 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.541 -14.637 7.203 1.00 0.00 H new ATOM 611 N CYS A 41 -4.020 -8.297 3.819 1.00 0.00 N ATOM 612 CA CYS A 41 -3.185 -8.610 2.628 1.00 0.00 C ATOM 613 C CYS A 41 -1.808 -7.966 2.803 1.00 0.00 C ATOM 614 O CYS A 41 -0.832 -8.381 2.207 1.00 0.00 O ATOM 615 CB CYS A 41 -3.866 -8.057 1.372 1.00 0.00 C ATOM 616 SG CYS A 41 -5.154 -9.211 0.825 1.00 0.00 S ATOM 0 H CYS A 41 -4.550 -7.427 3.759 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.070 -9.689 2.525 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.303 -7.081 1.582 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.131 -7.914 0.580 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.154 -8.543 0.332 1.00 0.00 H new ATOM 621 N TRP A 42 -1.726 -6.953 3.622 1.00 0.00 N ATOM 622 CA TRP A 42 -0.422 -6.273 3.848 1.00 0.00 C ATOM 623 C TRP A 42 0.345 -6.997 4.956 1.00 0.00 C ATOM 624 O TRP A 42 1.560 -6.994 4.988 1.00 0.00 O ATOM 625 CB TRP A 42 -0.679 -4.824 4.266 1.00 0.00 C ATOM 626 CG TRP A 42 0.622 -4.106 4.425 1.00 0.00 C ATOM 627 CD1 TRP A 42 1.423 -3.719 3.405 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.286 -3.682 5.650 1.00 0.00 C ATOM 629 NE1 TRP A 42 2.534 -3.081 3.926 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.495 -3.034 5.307 1.00 0.00 C ATOM 631 CE3 TRP A 42 0.959 -3.793 7.015 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.350 -2.515 6.280 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.818 -3.273 7.996 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.011 -2.635 7.629 1.00 0.00 C ATOM 0 H TRP A 42 -2.511 -6.566 4.146 1.00 0.00 H new ATOM 0 HA TRP A 42 0.167 -6.291 2.931 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.292 -4.323 3.517 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.236 -4.799 5.203 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.227 -3.882 2.356 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.289 -2.693 3.361 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.042 -4.281 7.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.268 -2.024 5.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.558 -3.365 9.040 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.667 -2.237 8.389 1.00 0.00 H new ATOM 645 N HIS A 43 -0.356 -7.618 5.865 1.00 0.00 N ATOM 646 CA HIS A 43 0.332 -8.341 6.971 1.00 0.00 C ATOM 647 C HIS A 43 0.939 -9.639 6.436 1.00 0.00 C ATOM 648 O HIS A 43 1.678 -10.318 7.121 1.00 0.00 O ATOM 649 CB HIS A 43 -0.679 -8.673 8.070 1.00 0.00 C ATOM 650 CG HIS A 43 -0.307 -7.941 9.330 1.00 0.00 C ATOM 651 ND1 HIS A 43 0.052 -8.607 10.490 1.00 0.00 N ATOM 652 CD2 HIS A 43 -0.236 -6.603 9.627 1.00 0.00 C ATOM 653 CE1 HIS A 43 0.320 -7.677 11.424 1.00 0.00 C ATOM 654 NE2 HIS A 43 0.160 -6.439 10.951 1.00 0.00 N ATOM 0 H HIS A 43 -1.375 -7.656 5.889 1.00 0.00 H new ATOM 0 HA HIS A 43 1.122 -7.710 7.378 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.683 -8.388 7.754 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.695 -9.748 8.252 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.454 -5.800 8.938 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.627 -7.904 12.434 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.298 -5.561 11.452 1.00 0.00 H new ATOM 662 N ARG A 44 0.633 -9.991 5.219 1.00 0.00 N ATOM 663 CA ARG A 44 1.192 -11.246 4.645 1.00 0.00 C ATOM 664 C ARG A 44 2.328 -10.905 3.683 1.00 0.00 C ATOM 665 O ARG A 44 3.315 -11.606 3.601 1.00 0.00 O ATOM 666 CB ARG A 44 0.091 -11.993 3.890 1.00 0.00 C ATOM 667 CG ARG A 44 -0.182 -13.333 4.572 1.00 0.00 C ATOM 668 CD ARG A 44 -1.231 -14.109 3.772 1.00 0.00 C ATOM 669 NE ARG A 44 -1.627 -15.330 4.526 1.00 0.00 N ATOM 670 CZ ARG A 44 -2.867 -15.733 4.512 1.00 0.00 C ATOM 671 NH1 ARG A 44 -3.669 -15.351 3.555 1.00 0.00 N ATOM 672 NH2 ARG A 44 -3.307 -16.519 5.456 1.00 0.00 N ATOM 0 H ARG A 44 0.020 -9.464 4.597 1.00 0.00 H new ATOM 0 HA ARG A 44 1.575 -11.875 5.449 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.819 -11.393 3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.392 -12.155 2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.739 -13.912 4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.534 -13.170 5.591 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.104 -13.481 3.591 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.829 -14.385 2.797 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.928 -15.852 5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.326 -14.736 2.817 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.639 -15.667 3.546 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.681 -16.818 6.204 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.277 -16.835 5.446 1.00 0.00 H new ATOM 686 N ILE A 45 2.195 -9.836 2.947 1.00 0.00 N ATOM 687 CA ILE A 45 3.268 -9.460 1.988 1.00 0.00 C ATOM 688 C ILE A 45 4.499 -8.968 2.752 1.00 0.00 C ATOM 689 O ILE A 45 5.619 -9.141 2.316 1.00 0.00 O ATOM 690 CB ILE A 45 2.762 -8.349 1.069 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.697 -8.916 0.127 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.929 -7.795 0.249 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.939 -7.767 -0.538 1.00 0.00 C ATOM 0 H ILE A 45 1.391 -9.209 2.969 1.00 0.00 H new ATOM 0 HA ILE A 45 3.540 -10.332 1.393 1.00 0.00 H new ATOM 0 HB ILE A 45 2.328 -7.548 1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.165 -9.544 -0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.005 -9.549 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.569 -7.002 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.688 -7.393 0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.363 -8.594 -0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.181 -8.171 -1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.459 -7.157 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.636 -7.152 -1.107 1.00 0.00 H new ATOM 705 N ARG A 46 4.301 -8.356 3.887 1.00 0.00 N ATOM 706 CA ARG A 46 5.465 -7.855 4.672 1.00 0.00 C ATOM 707 C ARG A 46 5.940 -8.941 5.639 1.00 0.00 C ATOM 708 O ARG A 46 6.538 -8.658 6.658 1.00 0.00 O ATOM 709 CB ARG A 46 5.049 -6.615 5.466 1.00 0.00 C ATOM 710 CG ARG A 46 5.031 -5.398 4.540 1.00 0.00 C ATOM 711 CD ARG A 46 6.067 -4.377 5.015 1.00 0.00 C ATOM 712 NE ARG A 46 7.426 -4.989 4.965 1.00 0.00 N ATOM 713 CZ ARG A 46 8.478 -4.231 4.812 1.00 0.00 C ATOM 714 NH1 ARG A 46 9.151 -3.831 5.856 1.00 0.00 N ATOM 715 NH2 ARG A 46 8.857 -3.878 3.615 1.00 0.00 N ATOM 0 H ARG A 46 3.387 -8.181 4.304 1.00 0.00 H new ATOM 0 HA ARG A 46 6.276 -7.598 3.990 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.063 -6.765 5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.743 -6.448 6.290 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.249 -5.704 3.517 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.038 -4.948 4.533 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.033 -3.488 4.385 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.838 -4.056 6.031 1.00 0.00 H new ATOM 0 HE ARG A 46 7.534 -6.000 5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.855 -4.111 6.791 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.973 -3.239 5.737 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.332 -4.194 2.800 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.679 -3.286 3.494 1.00 0.00 H new ATOM 729 N THR A 47 5.677 -10.183 5.332 1.00 0.00 N ATOM 730 CA THR A 47 6.115 -11.279 6.241 1.00 0.00 C ATOM 731 C THR A 47 6.868 -12.347 5.442 1.00 0.00 C ATOM 732 O THR A 47 7.958 -12.747 5.801 1.00 0.00 O ATOM 733 CB THR A 47 4.891 -11.908 6.911 1.00 0.00 C ATOM 734 OG1 THR A 47 3.740 -11.664 6.113 1.00 0.00 O ATOM 735 CG2 THR A 47 4.695 -11.295 8.298 1.00 0.00 C ATOM 0 H THR A 47 5.180 -10.484 4.494 1.00 0.00 H new ATOM 0 HA THR A 47 6.777 -10.869 7.004 1.00 0.00 H new ATOM 0 HB THR A 47 5.042 -12.983 7.011 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.887 -12.017 5.211 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.823 -11.744 8.774 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.579 -11.484 8.907 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.543 -10.220 8.202 1.00 0.00 H new ATOM 743 N ASP A 48 6.299 -12.815 4.366 1.00 0.00 N ATOM 744 CA ASP A 48 6.991 -13.858 3.557 1.00 0.00 C ATOM 745 C ASP A 48 7.009 -13.444 2.084 1.00 0.00 C ATOM 746 O ASP A 48 6.922 -14.272 1.198 1.00 0.00 O ATOM 747 CB ASP A 48 6.255 -15.192 3.703 1.00 0.00 C ATOM 748 CG ASP A 48 4.749 -14.966 3.562 1.00 0.00 C ATOM 749 OD1 ASP A 48 4.136 -14.567 4.540 1.00 0.00 O ATOM 750 OD2 ASP A 48 4.233 -15.198 2.482 1.00 0.00 O ATOM 0 H ASP A 48 5.388 -12.522 4.012 1.00 0.00 H new ATOM 0 HA ASP A 48 8.015 -13.966 3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.600 -15.894 2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.477 -15.637 4.673 1.00 0.00 H new ATOM 755 N GLU A 49 7.122 -12.173 1.811 1.00 0.00 N ATOM 756 CA GLU A 49 7.147 -11.716 0.393 1.00 0.00 C ATOM 757 C GLU A 49 8.310 -10.741 0.190 1.00 0.00 C ATOM 758 O GLU A 49 9.246 -10.708 0.962 1.00 0.00 O ATOM 759 CB GLU A 49 5.830 -11.012 0.063 1.00 0.00 C ATOM 760 CG GLU A 49 5.132 -11.747 -1.085 1.00 0.00 C ATOM 761 CD GLU A 49 4.269 -12.875 -0.516 1.00 0.00 C ATOM 762 OE1 GLU A 49 3.983 -12.834 0.669 1.00 0.00 O ATOM 763 OE2 GLU A 49 3.911 -13.761 -1.275 1.00 0.00 O ATOM 0 H GLU A 49 7.198 -11.432 2.508 1.00 0.00 H new ATOM 0 HA GLU A 49 7.276 -12.576 -0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.185 -10.993 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.019 -9.976 -0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.514 -11.052 -1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.872 -12.153 -1.775 1.00 0.00 H new ATOM 770 N ASN A 50 8.254 -9.948 -0.846 1.00 0.00 N ATOM 771 CA ASN A 50 9.354 -8.976 -1.101 1.00 0.00 C ATOM 772 C ASN A 50 8.890 -7.571 -0.713 1.00 0.00 C ATOM 773 O ASN A 50 9.481 -6.582 -1.100 1.00 0.00 O ATOM 774 CB ASN A 50 9.721 -9.000 -2.586 1.00 0.00 C ATOM 775 CG ASN A 50 11.244 -8.949 -2.737 1.00 0.00 C ATOM 776 OD1 ASN A 50 11.929 -9.900 -2.417 1.00 0.00 O ATOM 777 ND2 ASN A 50 11.804 -7.872 -3.215 1.00 0.00 N ATOM 0 H ASN A 50 7.494 -9.932 -1.526 1.00 0.00 H new ATOM 0 HA ASN A 50 10.226 -9.248 -0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.329 -9.903 -3.054 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.266 -8.152 -3.098 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.818 -7.828 -3.320 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.228 -7.074 -3.483 1.00 0.00 H new ATOM 784 N GLY A 51 7.835 -7.476 0.050 1.00 0.00 N ATOM 785 CA GLY A 51 7.333 -6.135 0.464 1.00 0.00 C ATOM 786 C GLY A 51 7.140 -5.259 -0.774 1.00 0.00 C ATOM 787 O GLY A 51 7.161 -4.046 -0.700 1.00 0.00 O ATOM 0 H GLY A 51 7.299 -8.269 0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.390 -6.238 1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.040 -5.666 1.148 1.00 0.00 H new ATOM 791 N LEU A 52 6.956 -5.863 -1.917 1.00 0.00 N ATOM 792 CA LEU A 52 6.765 -5.060 -3.156 1.00 0.00 C ATOM 793 C LEU A 52 5.285 -5.050 -3.541 1.00 0.00 C ATOM 794 O LEU A 52 4.505 -5.870 -3.099 1.00 0.00 O ATOM 795 CB LEU A 52 7.572 -5.674 -4.306 1.00 0.00 C ATOM 796 CG LEU A 52 9.069 -5.402 -4.124 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.786 -5.641 -5.455 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.289 -3.951 -3.688 1.00 0.00 C ATOM 0 H LEU A 52 6.930 -6.875 -2.045 1.00 0.00 H new ATOM 0 HA LEU A 52 7.107 -4.042 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.395 -6.749 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.235 -5.259 -5.256 1.00 0.00 H new ATOM 0 HG LEU A 52 9.466 -6.070 -3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.852 -5.449 -5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.636 -6.674 -5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.381 -4.970 -6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.356 -3.767 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.893 -3.278 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.775 -3.773 -2.743 1.00 0.00 H new ATOM 810 N CYS A 53 4.905 -4.122 -4.369 1.00 0.00 N ATOM 811 CA CYS A 53 3.487 -4.028 -4.812 1.00 0.00 C ATOM 812 C CYS A 53 3.314 -4.845 -6.102 1.00 0.00 C ATOM 813 O CYS A 53 4.037 -4.642 -7.054 1.00 0.00 O ATOM 814 CB CYS A 53 3.164 -2.552 -5.065 1.00 0.00 C ATOM 815 SG CYS A 53 1.642 -2.388 -6.026 1.00 0.00 S ATOM 0 H CYS A 53 5.524 -3.414 -4.764 1.00 0.00 H new ATOM 0 HA CYS A 53 2.812 -4.424 -4.053 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.058 -2.029 -4.114 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.989 -2.080 -5.598 1.00 0.00 H new ATOM 0 HG CYS A 53 1.465 -1.141 -6.349 1.00 0.00 H new ATOM 820 N PRO A 54 2.372 -5.755 -6.094 1.00 0.00 N ATOM 821 CA PRO A 54 2.101 -6.620 -7.260 1.00 0.00 C ATOM 822 C PRO A 54 1.274 -5.875 -8.315 1.00 0.00 C ATOM 823 O PRO A 54 1.193 -6.288 -9.456 1.00 0.00 O ATOM 824 CB PRO A 54 1.299 -7.778 -6.664 1.00 0.00 C ATOM 825 CG PRO A 54 0.672 -7.249 -5.352 1.00 0.00 C ATOM 826 CD PRO A 54 1.496 -6.017 -4.934 1.00 0.00 C ATOM 0 HA PRO A 54 3.010 -6.945 -7.767 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.526 -8.111 -7.356 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.943 -8.635 -6.468 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.374 -6.982 -5.503 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.697 -8.013 -4.575 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.854 -5.163 -4.719 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.077 -6.214 -4.033 1.00 0.00 H new ATOM 834 N ALA A 55 0.651 -4.792 -7.944 1.00 0.00 N ATOM 835 CA ALA A 55 -0.181 -4.034 -8.924 1.00 0.00 C ATOM 836 C ALA A 55 0.716 -3.232 -9.876 1.00 0.00 C ATOM 837 O ALA A 55 0.420 -3.092 -11.046 1.00 0.00 O ATOM 838 CB ALA A 55 -1.106 -3.078 -8.169 1.00 0.00 C ATOM 0 H ALA A 55 0.681 -4.397 -7.004 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.773 -4.739 -9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.715 -2.522 -8.882 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.755 -3.648 -7.504 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.508 -2.381 -7.582 1.00 0.00 H new ATOM 844 N CYS A 56 1.799 -2.693 -9.386 1.00 0.00 N ATOM 845 CA CYS A 56 2.696 -1.892 -10.272 1.00 0.00 C ATOM 846 C CYS A 56 4.148 -2.368 -10.126 1.00 0.00 C ATOM 847 O CYS A 56 4.943 -2.230 -11.034 1.00 0.00 O ATOM 848 CB CYS A 56 2.589 -0.409 -9.893 1.00 0.00 C ATOM 849 SG CYS A 56 3.552 -0.075 -8.394 1.00 0.00 S ATOM 0 H CYS A 56 2.102 -2.771 -8.415 1.00 0.00 H new ATOM 0 HA CYS A 56 2.390 -2.025 -11.310 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.952 0.211 -10.713 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.545 -0.142 -9.730 1.00 0.00 H new ATOM 0 HG CYS A 56 3.115 -0.820 -7.423 1.00 0.00 H new ATOM 854 N ARG A 57 4.488 -2.911 -8.982 1.00 0.00 N ATOM 855 CA ARG A 57 5.882 -3.401 -8.736 1.00 0.00 C ATOM 856 C ARG A 57 6.730 -2.273 -8.141 1.00 0.00 C ATOM 857 O ARG A 57 7.530 -1.658 -8.820 1.00 0.00 O ATOM 858 CB ARG A 57 6.519 -3.887 -10.040 1.00 0.00 C ATOM 859 CG ARG A 57 7.432 -5.079 -9.750 1.00 0.00 C ATOM 860 CD ARG A 57 8.165 -5.481 -11.030 1.00 0.00 C ATOM 861 NE ARG A 57 9.364 -6.289 -10.679 1.00 0.00 N ATOM 862 CZ ARG A 57 10.365 -6.367 -11.512 1.00 0.00 C ATOM 863 NH1 ARG A 57 11.507 -5.812 -11.212 1.00 0.00 N ATOM 864 NH2 ARG A 57 10.222 -6.997 -12.645 1.00 0.00 N ATOM 0 H ARG A 57 3.849 -3.037 -8.197 1.00 0.00 H new ATOM 0 HA ARG A 57 5.838 -4.234 -8.035 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.744 -4.174 -10.751 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.091 -3.081 -10.500 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.151 -4.820 -8.972 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.845 -5.918 -9.375 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.502 -6.056 -11.677 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.462 -4.592 -11.587 1.00 0.00 H new ATOM 0 HE ARG A 57 9.403 -6.782 -9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.617 -5.318 -10.327 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.290 -5.873 -11.863 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.328 -7.428 -12.879 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.004 -7.058 -13.297 1.00 0.00 H new ATOM 878 N LYS A 58 6.565 -2.005 -6.875 1.00 0.00 N ATOM 879 CA LYS A 58 7.362 -0.929 -6.221 1.00 0.00 C ATOM 880 C LYS A 58 7.411 -1.195 -4.714 1.00 0.00 C ATOM 881 O LYS A 58 6.493 -1.757 -4.158 1.00 0.00 O ATOM 882 CB LYS A 58 6.710 0.431 -6.485 1.00 0.00 C ATOM 883 CG LYS A 58 7.647 1.281 -7.346 1.00 0.00 C ATOM 884 CD LYS A 58 7.239 2.753 -7.256 1.00 0.00 C ATOM 885 CE LYS A 58 7.348 3.398 -8.639 1.00 0.00 C ATOM 886 NZ LYS A 58 6.000 3.856 -9.083 1.00 0.00 N ATOM 0 H LYS A 58 5.908 -2.488 -6.262 1.00 0.00 H new ATOM 0 HA LYS A 58 8.373 -0.921 -6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.754 0.297 -6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.504 0.938 -5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.677 1.158 -7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.608 0.946 -8.382 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.218 2.836 -6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.881 3.277 -6.547 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.037 4.242 -8.605 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.754 2.683 -9.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.075 4.294 -10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.355 3.042 -9.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.629 4.552 -8.405 1.00 0.00 H new ATOM 900 N PRO A 59 8.485 -0.788 -4.097 1.00 0.00 N ATOM 901 CA PRO A 59 8.683 -0.987 -2.652 1.00 0.00 C ATOM 902 C PRO A 59 7.775 -0.052 -1.851 1.00 0.00 C ATOM 903 O PRO A 59 7.914 1.154 -1.897 1.00 0.00 O ATOM 904 CB PRO A 59 10.162 -0.659 -2.440 1.00 0.00 C ATOM 905 CG PRO A 59 10.588 0.223 -3.637 1.00 0.00 C ATOM 906 CD PRO A 59 9.592 -0.079 -4.773 1.00 0.00 C ATOM 0 HA PRO A 59 8.433 -1.994 -2.317 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.312 -0.133 -1.497 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.760 -1.570 -2.396 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.564 1.279 -3.369 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.609 -0.005 -3.944 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.246 0.836 -5.254 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.046 -0.695 -5.549 1.00 0.00 H new ATOM 914 N TYR A 60 6.843 -0.611 -1.123 1.00 0.00 N ATOM 915 CA TYR A 60 5.905 0.226 -0.312 1.00 0.00 C ATOM 916 C TYR A 60 6.648 1.424 0.290 1.00 0.00 C ATOM 917 O TYR A 60 7.808 1.320 0.637 1.00 0.00 O ATOM 918 CB TYR A 60 5.329 -0.615 0.828 1.00 0.00 C ATOM 919 CG TYR A 60 4.727 -1.886 0.277 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.254 -1.930 -1.040 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.639 -3.021 1.090 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.693 -3.110 -1.542 1.00 0.00 C ATOM 923 CE2 TYR A 60 4.079 -4.199 0.589 1.00 0.00 C ATOM 924 CZ TYR A 60 3.605 -4.245 -0.728 1.00 0.00 C ATOM 925 OH TYR A 60 3.051 -5.408 -1.222 1.00 0.00 O ATOM 0 H TYR A 60 6.690 -1.617 -1.054 1.00 0.00 H new ATOM 0 HA TYR A 60 5.105 0.583 -0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.113 -0.855 1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.570 -0.045 1.364 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.322 -1.054 -1.668 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.004 -2.987 2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.328 -3.145 -2.558 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.012 -5.075 1.218 1.00 0.00 H new ATOM 0 HH TYR A 60 3.280 -5.502 -2.170 1.00 0.00 H new ATOM 935 N PRO A 61 5.951 2.529 0.405 1.00 0.00 N ATOM 936 CA PRO A 61 6.519 3.765 0.971 1.00 0.00 C ATOM 937 C PRO A 61 6.536 3.688 2.502 1.00 0.00 C ATOM 938 O PRO A 61 5.504 3.617 3.139 1.00 0.00 O ATOM 939 CB PRO A 61 5.558 4.855 0.489 1.00 0.00 C ATOM 940 CG PRO A 61 4.218 4.148 0.173 1.00 0.00 C ATOM 941 CD PRO A 61 4.538 2.653 -0.022 1.00 0.00 C ATOM 0 HA PRO A 61 7.549 3.947 0.663 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.423 5.619 1.254 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.951 5.356 -0.396 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.506 4.288 0.986 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.763 4.566 -0.725 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.883 2.023 0.580 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.407 2.349 -1.061 1.00 0.00 H new