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 171:sc= -2.06! USER MOD Set 1.2: A 33 CYS SG : rot -94:sc= -1.43 USER MOD Set 1.3: A 53 CYS SG : rot 81:sc= 1.74 USER MOD Set 1.4: A 56 CYS SG : rot -122:sc= -3.07 USER MOD Set 2.1: A 14 CYS SG : rot -107:sc= 1.13 USER MOD Set 2.2: A 17 CYS SG : rot -88:sc= 0.408 USER MOD Set 2.3: A 38 CYS SG : rot -137:sc= 0.378 USER MOD Set 2.4: A 41 CYS SG : rot 138:sc= -1.39! USER MOD Single : A 18 MET CE :methyl -143:sc= -0.141 (180deg=-1.19) USER MOD Single : A 27 ASN : amide:sc= -1.78! C(o=-1.8!,f=-2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0579 USER MOD Single : A 35 TYR OH : rot 180:sc= -1.24 USER MOD Single : A 36 GLN : amide:sc= -1.35 X(o=-1.4,f=-1.5) USER MOD Single : A 43 HIS : no HD1:sc= -0.474 K(o=-0.47,f=0.13) USER MOD Single : A 47 THR OG1 : rot 148:sc= 0.542 USER MOD Single : A 50 ASN : amide:sc= -0.125 K(o=-0.12,f=-1.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 38:sc= -3.9! USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -16.469 0.219 -0.608 1.00 0.00 N ATOM 166 CA VAL A 12 -15.134 -0.146 -1.167 1.00 0.00 C ATOM 167 C VAL A 12 -14.579 -1.357 -0.414 1.00 0.00 C ATOM 168 O VAL A 12 -14.327 -1.300 0.774 1.00 0.00 O ATOM 169 CB VAL A 12 -14.162 1.032 -1.019 1.00 0.00 C ATOM 170 CG1 VAL A 12 -13.243 1.087 -2.240 1.00 0.00 C ATOM 171 CG2 VAL A 12 -14.943 2.346 -0.917 1.00 0.00 C ATOM 0 HA VAL A 12 -15.246 -0.388 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.570 0.894 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.551 1.923 -2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.680 0.157 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.842 1.220 -3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.245 3.177 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.540 2.485 -1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -15.600 2.312 -0.048 1.00 0.00 H new ATOM 181 N GLU A 13 -14.385 -2.453 -1.094 1.00 0.00 N ATOM 182 CA GLU A 13 -13.846 -3.665 -0.415 1.00 0.00 C ATOM 183 C GLU A 13 -12.589 -4.143 -1.143 1.00 0.00 C ATOM 184 O GLU A 13 -12.494 -4.058 -2.352 1.00 0.00 O ATOM 185 CB GLU A 13 -14.901 -4.775 -0.440 1.00 0.00 C ATOM 186 CG GLU A 13 -16.082 -4.381 0.449 1.00 0.00 C ATOM 187 CD GLU A 13 -17.393 -4.633 -0.300 1.00 0.00 C ATOM 188 OE1 GLU A 13 -17.357 -5.337 -1.297 1.00 0.00 O ATOM 189 OE2 GLU A 13 -18.409 -4.117 0.135 1.00 0.00 O ATOM 0 H GLU A 13 -14.576 -2.562 -2.090 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.597 -3.421 0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.242 -4.943 -1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.466 -5.712 -0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.063 -4.958 1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.006 -3.330 0.727 1.00 0.00 H new ATOM 196 N CYS A 14 -11.628 -4.648 -0.415 1.00 0.00 N ATOM 197 CA CYS A 14 -10.376 -5.141 -1.058 1.00 0.00 C ATOM 198 C CYS A 14 -10.732 -5.892 -2.349 1.00 0.00 C ATOM 199 O CYS A 14 -11.319 -6.954 -2.297 1.00 0.00 O ATOM 200 CB CYS A 14 -9.664 -6.094 -0.094 1.00 0.00 C ATOM 201 SG CYS A 14 -7.890 -6.110 -0.447 1.00 0.00 S ATOM 0 H CYS A 14 -11.657 -4.740 0.600 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.723 -4.301 -1.295 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.836 -5.780 0.936 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.073 -7.099 -0.194 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.572 -7.233 -1.020 1.00 0.00 H new ATOM 206 N PRO A 15 -10.379 -5.316 -3.471 1.00 0.00 N ATOM 207 CA PRO A 15 -10.661 -5.913 -4.789 1.00 0.00 C ATOM 208 C PRO A 15 -9.635 -7.004 -5.121 1.00 0.00 C ATOM 209 O PRO A 15 -9.555 -7.467 -6.241 1.00 0.00 O ATOM 210 CB PRO A 15 -10.525 -4.732 -5.752 1.00 0.00 C ATOM 211 CG PRO A 15 -9.631 -3.688 -5.040 1.00 0.00 C ATOM 212 CD PRO A 15 -9.677 -4.018 -3.535 1.00 0.00 C ATOM 0 HA PRO A 15 -11.639 -6.393 -4.839 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.077 -5.049 -6.694 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.502 -4.310 -5.989 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.609 -3.734 -5.415 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.994 -2.677 -5.226 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.675 -4.086 -3.111 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -10.209 -3.249 -2.975 1.00 0.00 H new ATOM 220 N LEU A 16 -8.850 -7.416 -4.162 1.00 0.00 N ATOM 221 CA LEU A 16 -7.836 -8.473 -4.436 1.00 0.00 C ATOM 222 C LEU A 16 -8.076 -9.672 -3.514 1.00 0.00 C ATOM 223 O LEU A 16 -7.815 -10.802 -3.874 1.00 0.00 O ATOM 224 CB LEU A 16 -6.433 -7.912 -4.193 1.00 0.00 C ATOM 225 CG LEU A 16 -6.328 -6.514 -4.809 1.00 0.00 C ATOM 226 CD1 LEU A 16 -5.850 -5.523 -3.750 1.00 0.00 C ATOM 227 CD2 LEU A 16 -5.327 -6.540 -5.968 1.00 0.00 C ATOM 0 H LEU A 16 -8.867 -7.067 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.923 -8.795 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.228 -7.866 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.685 -8.572 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.307 -6.208 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.776 -4.528 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.561 -5.502 -2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.872 -5.830 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.252 -5.545 -6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.349 -6.848 -5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.666 -7.246 -6.726 1.00 0.00 H new ATOM 239 N CYS A 17 -8.578 -9.441 -2.330 1.00 0.00 N ATOM 240 CA CYS A 17 -8.837 -10.577 -1.397 1.00 0.00 C ATOM 241 C CYS A 17 -10.324 -10.590 -1.033 1.00 0.00 C ATOM 242 O CYS A 17 -10.867 -11.595 -0.621 1.00 0.00 O ATOM 243 CB CYS A 17 -7.970 -10.417 -0.134 1.00 0.00 C ATOM 244 SG CYS A 17 -8.773 -9.321 1.070 1.00 0.00 S ATOM 0 H CYS A 17 -8.819 -8.518 -1.969 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.578 -11.522 -1.874 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.795 -11.393 0.318 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.995 -10.012 -0.406 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.444 -8.088 0.822 1.00 0.00 H new ATOM 249 N MET A 18 -10.973 -9.469 -1.187 1.00 0.00 N ATOM 250 CA MET A 18 -12.422 -9.367 -0.864 1.00 0.00 C ATOM 251 C MET A 18 -12.600 -9.126 0.636 1.00 0.00 C ATOM 252 O MET A 18 -12.540 -10.039 1.435 1.00 0.00 O ATOM 253 CB MET A 18 -13.144 -10.656 -1.269 1.00 0.00 C ATOM 254 CG MET A 18 -14.600 -10.337 -1.612 1.00 0.00 C ATOM 255 SD MET A 18 -15.697 -11.301 -0.544 1.00 0.00 S ATOM 256 CE MET A 18 -15.137 -12.940 -1.069 1.00 0.00 C ATOM 0 H MET A 18 -10.552 -8.605 -1.529 1.00 0.00 H new ATOM 0 HA MET A 18 -12.851 -8.532 -1.418 1.00 0.00 H new ATOM 0 HB2 MET A 18 -12.648 -11.109 -2.127 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.101 -11.381 -0.456 1.00 0.00 H new ATOM 0 HG2 MET A 18 -14.791 -9.272 -1.480 1.00 0.00 H new ATOM 0 HG3 MET A 18 -14.797 -10.569 -2.658 1.00 0.00 H new ATOM 0 HE1 MET A 18 -15.987 -13.622 -1.102 1.00 0.00 H new ATOM 0 HE2 MET A 18 -14.689 -12.871 -2.060 1.00 0.00 H new ATOM 0 HE3 MET A 18 -14.398 -13.316 -0.362 1.00 0.00 H new ATOM 266 N GLU A 19 -12.822 -7.898 1.022 1.00 0.00 N ATOM 267 CA GLU A 19 -13.006 -7.591 2.468 1.00 0.00 C ATOM 268 C GLU A 19 -13.482 -6.142 2.625 1.00 0.00 C ATOM 269 O GLU A 19 -13.361 -5.350 1.712 1.00 0.00 O ATOM 270 CB GLU A 19 -11.677 -7.775 3.202 1.00 0.00 C ATOM 271 CG GLU A 19 -11.811 -8.910 4.220 1.00 0.00 C ATOM 272 CD GLU A 19 -11.147 -8.497 5.535 1.00 0.00 C ATOM 273 OE1 GLU A 19 -10.052 -7.962 5.480 1.00 0.00 O ATOM 274 OE2 GLU A 19 -11.745 -8.722 6.574 1.00 0.00 O ATOM 0 H GLU A 19 -12.884 -7.094 0.397 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.750 -8.266 2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.884 -8.002 2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.397 -6.850 3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.863 -9.140 4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.345 -9.816 3.834 1.00 0.00 H new ATOM 281 N PRO A 20 -14.011 -5.840 3.783 1.00 0.00 N ATOM 282 CA PRO A 20 -14.519 -4.494 4.099 1.00 0.00 C ATOM 283 C PRO A 20 -13.361 -3.546 4.432 1.00 0.00 C ATOM 284 O PRO A 20 -12.546 -3.823 5.289 1.00 0.00 O ATOM 285 CB PRO A 20 -15.405 -4.725 5.327 1.00 0.00 C ATOM 286 CG PRO A 20 -14.920 -6.044 5.975 1.00 0.00 C ATOM 287 CD PRO A 20 -14.153 -6.815 4.884 1.00 0.00 C ATOM 0 HA PRO A 20 -15.057 -4.034 3.270 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.321 -3.894 6.028 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.454 -4.796 5.041 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.276 -5.841 6.831 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.764 -6.629 6.342 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.181 -7.154 5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.700 -7.701 4.563 1.00 0.00 H new ATOM 295 N LEU A 21 -13.284 -2.431 3.757 1.00 0.00 N ATOM 296 CA LEU A 21 -12.181 -1.465 4.032 1.00 0.00 C ATOM 297 C LEU A 21 -12.622 -0.485 5.121 1.00 0.00 C ATOM 298 O LEU A 21 -13.556 0.274 4.947 1.00 0.00 O ATOM 299 CB LEU A 21 -11.856 -0.687 2.755 1.00 0.00 C ATOM 300 CG LEU A 21 -10.931 -1.520 1.868 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.881 -0.907 0.468 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.522 -1.528 2.467 1.00 0.00 C ATOM 0 H LEU A 21 -13.937 -2.147 3.027 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.297 -2.009 4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.774 -0.450 2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.379 0.261 3.006 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.308 -2.541 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.222 -1.500 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.883 -0.896 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.503 0.113 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.861 -2.122 1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.146 -0.507 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.554 -1.961 3.467 1.00 0.00 H new ATOM 314 N GLU A 22 -11.956 -0.489 6.243 1.00 0.00 N ATOM 315 CA GLU A 22 -12.338 0.447 7.336 1.00 0.00 C ATOM 316 C GLU A 22 -12.268 1.885 6.816 1.00 0.00 C ATOM 317 O GLU A 22 -12.088 2.119 5.637 1.00 0.00 O ATOM 318 CB GLU A 22 -11.371 0.283 8.510 1.00 0.00 C ATOM 319 CG GLU A 22 -12.142 -0.179 9.748 1.00 0.00 C ATOM 320 CD GLU A 22 -12.098 -1.705 9.838 1.00 0.00 C ATOM 321 OE1 GLU A 22 -11.652 -2.324 8.885 1.00 0.00 O ATOM 322 OE2 GLU A 22 -12.510 -2.231 10.859 1.00 0.00 O ATOM 0 H GLU A 22 -11.165 -1.099 6.449 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.352 0.226 7.669 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.598 -0.443 8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.867 1.228 8.714 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.707 0.261 10.645 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.176 0.163 9.694 1.00 0.00 H new ATOM 329 N ILE A 23 -12.406 2.850 7.684 1.00 0.00 N ATOM 330 CA ILE A 23 -12.344 4.270 7.234 1.00 0.00 C ATOM 331 C ILE A 23 -10.892 4.642 6.932 1.00 0.00 C ATOM 332 O ILE A 23 -10.554 5.016 5.826 1.00 0.00 O ATOM 333 CB ILE A 23 -12.885 5.180 8.336 1.00 0.00 C ATOM 334 CG1 ILE A 23 -14.401 5.006 8.439 1.00 0.00 C ATOM 335 CG2 ILE A 23 -12.563 6.637 7.998 1.00 0.00 C ATOM 336 CD1 ILE A 23 -14.721 3.586 8.912 1.00 0.00 C ATOM 0 H ILE A 23 -12.559 2.717 8.684 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.948 4.394 6.335 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.421 4.916 9.286 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.815 5.735 9.136 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.866 5.192 7.471 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.949 7.287 8.784 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.483 6.763 7.921 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -13.028 6.901 7.048 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -15.801 3.462 8.986 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.321 2.866 8.198 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.269 3.418 9.890 1.00 0.00 H new ATOM 348 N ASP A 24 -10.029 4.542 7.905 1.00 0.00 N ATOM 349 CA ASP A 24 -8.600 4.888 7.667 1.00 0.00 C ATOM 350 C ASP A 24 -7.973 3.836 6.752 1.00 0.00 C ATOM 351 O ASP A 24 -6.942 4.058 6.148 1.00 0.00 O ATOM 352 CB ASP A 24 -7.850 4.917 9.002 1.00 0.00 C ATOM 353 CG ASP A 24 -7.078 6.231 9.123 1.00 0.00 C ATOM 354 OD1 ASP A 24 -7.705 7.274 9.033 1.00 0.00 O ATOM 355 OD2 ASP A 24 -5.873 6.173 9.304 1.00 0.00 O ATOM 0 H ASP A 24 -10.251 4.236 8.852 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.535 5.869 7.196 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.553 4.818 9.829 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.164 4.072 9.065 1.00 0.00 H new ATOM 360 N ASP A 25 -8.592 2.692 6.642 1.00 0.00 N ATOM 361 CA ASP A 25 -8.035 1.624 5.766 1.00 0.00 C ATOM 362 C ASP A 25 -8.204 2.027 4.299 1.00 0.00 C ATOM 363 O ASP A 25 -7.502 1.548 3.431 1.00 0.00 O ATOM 364 CB ASP A 25 -8.779 0.313 6.026 1.00 0.00 C ATOM 365 CG ASP A 25 -8.433 -0.200 7.425 1.00 0.00 C ATOM 366 OD1 ASP A 25 -8.183 0.622 8.291 1.00 0.00 O ATOM 367 OD2 ASP A 25 -8.423 -1.407 7.607 1.00 0.00 O ATOM 0 H ASP A 25 -9.460 2.451 7.121 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.976 1.489 5.985 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.854 0.469 5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.504 -0.429 5.276 1.00 0.00 H new ATOM 372 N ILE A 26 -9.127 2.907 4.014 1.00 0.00 N ATOM 373 CA ILE A 26 -9.332 3.339 2.602 1.00 0.00 C ATOM 374 C ILE A 26 -8.307 4.423 2.255 1.00 0.00 C ATOM 375 O ILE A 26 -8.635 5.588 2.154 1.00 0.00 O ATOM 376 CB ILE A 26 -10.744 3.901 2.434 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.768 2.789 2.684 1.00 0.00 C ATOM 378 CG2 ILE A 26 -10.910 4.437 1.011 1.00 0.00 C ATOM 379 CD1 ILE A 26 -13.052 3.392 3.259 1.00 0.00 C ATOM 0 H ILE A 26 -9.746 3.344 4.697 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.205 2.484 1.938 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.903 4.709 3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.986 2.265 1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.359 2.053 3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.916 4.838 0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.180 5.226 0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.752 3.629 0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.779 2.599 3.436 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.828 3.896 4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.465 4.111 2.552 1.00 0.00 H new ATOM 391 N ASN A 27 -7.069 4.038 2.081 1.00 0.00 N ATOM 392 CA ASN A 27 -5.997 5.024 1.749 1.00 0.00 C ATOM 393 C ASN A 27 -4.657 4.448 2.204 1.00 0.00 C ATOM 394 O ASN A 27 -3.609 4.808 1.706 1.00 0.00 O ATOM 395 CB ASN A 27 -6.255 6.343 2.482 1.00 0.00 C ATOM 396 CG ASN A 27 -6.798 7.379 1.497 1.00 0.00 C ATOM 397 OD1 ASN A 27 -7.857 7.938 1.706 1.00 0.00 O ATOM 398 ND2 ASN A 27 -6.113 7.661 0.422 1.00 0.00 N ATOM 0 H ASN A 27 -6.752 3.071 2.156 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.987 5.213 0.675 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.968 6.187 3.292 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.332 6.706 2.935 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.466 8.350 -0.242 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.224 7.192 0.246 1.00 0.00 H new ATOM 405 N PHE A 28 -4.690 3.547 3.148 1.00 0.00 N ATOM 406 CA PHE A 28 -3.429 2.931 3.645 1.00 0.00 C ATOM 407 C PHE A 28 -2.900 1.952 2.592 1.00 0.00 C ATOM 408 O PHE A 28 -3.116 0.759 2.675 1.00 0.00 O ATOM 409 CB PHE A 28 -3.715 2.188 4.962 1.00 0.00 C ATOM 410 CG PHE A 28 -2.676 1.113 5.192 1.00 0.00 C ATOM 411 CD1 PHE A 28 -1.331 1.461 5.352 1.00 0.00 C ATOM 412 CD2 PHE A 28 -3.061 -0.232 5.237 1.00 0.00 C ATOM 413 CE1 PHE A 28 -0.370 0.465 5.559 1.00 0.00 C ATOM 414 CE2 PHE A 28 -2.100 -1.229 5.444 1.00 0.00 C ATOM 415 CZ PHE A 28 -0.754 -0.880 5.604 1.00 0.00 C ATOM 0 H PHE A 28 -5.541 3.210 3.598 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.680 3.702 3.825 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.710 2.892 5.794 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.709 1.742 4.928 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.034 2.499 5.316 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.100 -0.501 5.112 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.668 0.734 5.684 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.397 -2.267 5.480 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.012 -1.649 5.762 1.00 0.00 H new ATOM 425 N PHE A 29 -2.204 2.446 1.608 1.00 0.00 N ATOM 426 CA PHE A 29 -1.660 1.543 0.559 1.00 0.00 C ATOM 427 C PHE A 29 -0.148 1.412 0.742 1.00 0.00 C ATOM 428 O PHE A 29 0.511 2.357 1.126 1.00 0.00 O ATOM 429 CB PHE A 29 -1.939 2.135 -0.821 1.00 0.00 C ATOM 430 CG PHE A 29 -1.759 3.631 -0.760 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.476 4.185 -0.632 1.00 0.00 C ATOM 432 CD2 PHE A 29 -2.881 4.464 -0.815 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.322 5.575 -0.563 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.728 5.851 -0.743 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.449 6.409 -0.617 1.00 0.00 C ATOM 0 H PHE A 29 -1.989 3.435 1.485 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.134 0.565 0.643 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.262 1.704 -1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.953 1.891 -1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.390 3.541 -0.587 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.867 4.035 -0.913 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.664 6.005 -0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.596 6.493 -0.784 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.331 7.481 -0.561 1.00 0.00 H new ATOM 445 N PRO A 30 0.358 0.247 0.442 1.00 0.00 N ATOM 446 CA PRO A 30 1.795 -0.032 0.540 1.00 0.00 C ATOM 447 C PRO A 30 2.510 0.505 -0.703 1.00 0.00 C ATOM 448 O PRO A 30 3.654 0.199 -0.950 1.00 0.00 O ATOM 449 CB PRO A 30 1.861 -1.560 0.590 1.00 0.00 C ATOM 450 CG PRO A 30 0.548 -2.074 -0.049 1.00 0.00 C ATOM 451 CD PRO A 30 -0.451 -0.902 -0.012 1.00 0.00 C ATOM 0 HA PRO A 30 2.273 0.434 1.402 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.729 -1.929 0.044 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.957 -1.911 1.617 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.720 -2.404 -1.074 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.160 -2.931 0.501 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.887 -0.719 -0.994 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.276 -1.103 0.671 1.00 0.00 H new ATOM 459 N CYS A 31 1.842 1.299 -1.495 1.00 0.00 N ATOM 460 CA CYS A 31 2.491 1.843 -2.718 1.00 0.00 C ATOM 461 C CYS A 31 1.813 3.155 -3.121 1.00 0.00 C ATOM 462 O CYS A 31 0.654 3.379 -2.833 1.00 0.00 O ATOM 463 CB CYS A 31 2.356 0.829 -3.851 1.00 0.00 C ATOM 464 SG CYS A 31 3.590 1.186 -5.123 1.00 0.00 S ATOM 0 H CYS A 31 0.877 1.593 -1.347 1.00 0.00 H new ATOM 0 HA CYS A 31 3.546 2.032 -2.518 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.494 -0.182 -3.468 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.354 0.874 -4.277 1.00 0.00 H new ATOM 0 HG CYS A 31 3.615 0.216 -5.988 1.00 0.00 H new ATOM 469 N THR A 32 2.527 4.025 -3.783 1.00 0.00 N ATOM 470 CA THR A 32 1.923 5.323 -4.200 1.00 0.00 C ATOM 471 C THR A 32 1.302 5.188 -5.593 1.00 0.00 C ATOM 472 O THR A 32 0.961 6.168 -6.225 1.00 0.00 O ATOM 473 CB THR A 32 3.008 6.404 -4.228 1.00 0.00 C ATOM 474 OG1 THR A 32 4.261 5.824 -3.895 1.00 0.00 O ATOM 475 CG2 THR A 32 2.665 7.500 -3.217 1.00 0.00 C ATOM 0 H THR A 32 3.502 3.893 -4.053 1.00 0.00 H new ATOM 0 HA THR A 32 1.146 5.601 -3.488 1.00 0.00 H new ATOM 0 HB THR A 32 3.063 6.839 -5.226 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.956 6.514 -3.914 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.438 8.269 -3.238 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.704 7.945 -3.475 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.609 7.069 -2.218 1.00 0.00 H new ATOM 483 N CYS A 33 1.150 3.985 -6.081 1.00 0.00 N ATOM 484 CA CYS A 33 0.548 3.808 -7.433 1.00 0.00 C ATOM 485 C CYS A 33 -0.964 3.600 -7.296 1.00 0.00 C ATOM 486 O CYS A 33 -1.642 3.252 -8.242 1.00 0.00 O ATOM 487 CB CYS A 33 1.177 2.592 -8.125 1.00 0.00 C ATOM 488 SG CYS A 33 0.598 1.068 -7.338 1.00 0.00 S ATOM 0 H CYS A 33 1.415 3.123 -5.605 1.00 0.00 H new ATOM 0 HA CYS A 33 0.738 4.698 -8.033 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.914 2.588 -9.183 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.264 2.651 -8.067 1.00 0.00 H new ATOM 0 HG CYS A 33 1.446 0.703 -6.422 1.00 0.00 H new ATOM 493 N GLY A 34 -1.497 3.815 -6.124 1.00 0.00 N ATOM 494 CA GLY A 34 -2.964 3.635 -5.923 1.00 0.00 C ATOM 495 C GLY A 34 -3.262 2.177 -5.566 1.00 0.00 C ATOM 496 O GLY A 34 -4.373 1.831 -5.217 1.00 0.00 O ATOM 0 H GLY A 34 -0.979 4.108 -5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.315 4.293 -5.128 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.502 3.915 -6.829 1.00 0.00 H new ATOM 500 N TYR A 35 -2.280 1.321 -5.640 1.00 0.00 N ATOM 501 CA TYR A 35 -2.513 -0.109 -5.295 1.00 0.00 C ATOM 502 C TYR A 35 -2.683 -0.230 -3.778 1.00 0.00 C ATOM 503 O TYR A 35 -1.746 -0.513 -3.057 1.00 0.00 O ATOM 504 CB TYR A 35 -1.314 -0.949 -5.753 1.00 0.00 C ATOM 505 CG TYR A 35 -1.352 -2.308 -5.088 1.00 0.00 C ATOM 506 CD1 TYR A 35 -2.363 -3.223 -5.411 1.00 0.00 C ATOM 507 CD2 TYR A 35 -0.374 -2.650 -4.147 1.00 0.00 C ATOM 508 CE1 TYR A 35 -2.394 -4.479 -4.792 1.00 0.00 C ATOM 509 CE2 TYR A 35 -0.405 -3.906 -3.529 1.00 0.00 C ATOM 510 CZ TYR A 35 -1.415 -4.821 -3.851 1.00 0.00 C ATOM 511 OH TYR A 35 -1.446 -6.057 -3.240 1.00 0.00 O ATOM 0 H TYR A 35 -1.328 1.550 -5.924 1.00 0.00 H new ATOM 0 HA TYR A 35 -3.411 -0.471 -5.795 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.333 -1.064 -6.837 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -0.384 -0.438 -5.503 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.118 -2.960 -6.137 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.405 -1.945 -3.897 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.173 -5.184 -5.041 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.350 -4.169 -2.804 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.695 -6.132 -2.615 1.00 0.00 H new ATOM 521 N GLN A 36 -3.873 -0.010 -3.289 1.00 0.00 N ATOM 522 CA GLN A 36 -4.106 -0.101 -1.819 1.00 0.00 C ATOM 523 C GLN A 36 -4.637 -1.492 -1.474 1.00 0.00 C ATOM 524 O GLN A 36 -5.353 -2.103 -2.244 1.00 0.00 O ATOM 525 CB GLN A 36 -5.133 0.955 -1.391 1.00 0.00 C ATOM 526 CG GLN A 36 -5.111 2.132 -2.370 1.00 0.00 C ATOM 527 CD GLN A 36 -6.008 3.254 -1.843 1.00 0.00 C ATOM 528 OE1 GLN A 36 -5.687 4.419 -1.977 1.00 0.00 O ATOM 529 NE2 GLN A 36 -7.128 2.952 -1.245 1.00 0.00 N ATOM 0 H GLN A 36 -4.695 0.229 -3.844 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.167 0.074 -1.294 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.130 0.514 -1.361 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.909 1.305 -0.383 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.091 2.496 -2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.456 1.808 -3.352 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.398 1.975 -1.132 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.733 3.693 -0.891 1.00 0.00 H new ATOM 538 N ILE A 37 -4.297 -1.997 -0.320 1.00 0.00 N ATOM 539 CA ILE A 37 -4.788 -3.347 0.073 1.00 0.00 C ATOM 540 C ILE A 37 -5.281 -3.311 1.520 1.00 0.00 C ATOM 541 O ILE A 37 -4.756 -2.599 2.352 1.00 0.00 O ATOM 542 CB ILE A 37 -3.655 -4.368 -0.055 1.00 0.00 C ATOM 543 CG1 ILE A 37 -2.318 -3.698 0.269 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.617 -4.907 -1.485 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.248 -4.771 0.474 1.00 0.00 C ATOM 0 H ILE A 37 -3.701 -1.534 0.366 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.608 -3.636 -0.584 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.828 -5.188 0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.028 -3.030 -0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.413 -3.087 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.811 -5.634 -1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.567 -5.387 -1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.446 -4.084 -2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.295 -4.295 0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.538 -5.421 1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.147 -5.363 -0.436 1.00 0.00 H new ATOM 557 N CYS A 38 -6.292 -4.077 1.822 1.00 0.00 N ATOM 558 CA CYS A 38 -6.830 -4.099 3.207 1.00 0.00 C ATOM 559 C CYS A 38 -5.685 -4.359 4.191 1.00 0.00 C ATOM 560 O CYS A 38 -4.536 -4.451 3.806 1.00 0.00 O ATOM 561 CB CYS A 38 -7.887 -5.205 3.320 1.00 0.00 C ATOM 562 SG CYS A 38 -7.083 -6.827 3.311 1.00 0.00 S ATOM 0 H CYS A 38 -6.770 -4.692 1.163 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.290 -3.140 3.444 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.461 -5.079 4.238 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.591 -5.134 2.491 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.753 -7.639 2.548 1.00 0.00 H new ATOM 567 N ARG A 39 -5.985 -4.475 5.455 1.00 0.00 N ATOM 568 CA ARG A 39 -4.907 -4.723 6.456 1.00 0.00 C ATOM 569 C ARG A 39 -4.525 -6.205 6.447 1.00 0.00 C ATOM 570 O ARG A 39 -3.403 -6.566 6.744 1.00 0.00 O ATOM 571 CB ARG A 39 -5.408 -4.337 7.849 1.00 0.00 C ATOM 572 CG ARG A 39 -5.317 -2.820 8.025 1.00 0.00 C ATOM 573 CD ARG A 39 -3.860 -2.416 8.252 1.00 0.00 C ATOM 574 NE ARG A 39 -3.670 -2.021 9.676 1.00 0.00 N ATOM 575 CZ ARG A 39 -2.488 -2.095 10.224 1.00 0.00 C ATOM 576 NH1 ARG A 39 -2.282 -2.910 11.223 1.00 0.00 N ATOM 577 NH2 ARG A 39 -1.512 -1.356 9.772 1.00 0.00 N ATOM 0 H ARG A 39 -6.928 -4.409 5.839 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.033 -4.123 6.201 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.438 -4.667 7.980 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.813 -4.838 8.612 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.711 -2.317 7.142 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.928 -2.505 8.871 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.198 -3.245 8.002 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.595 -1.588 7.595 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.465 -1.692 10.224 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.045 -3.489 11.575 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.358 -2.968 11.652 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.673 -0.721 8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.588 -1.414 10.200 1.00 0.00 H new ATOM 591 N PHE A 40 -5.446 -7.068 6.116 1.00 0.00 N ATOM 592 CA PHE A 40 -5.127 -8.524 6.099 1.00 0.00 C ATOM 593 C PHE A 40 -4.291 -8.859 4.861 1.00 0.00 C ATOM 594 O PHE A 40 -3.698 -9.915 4.771 1.00 0.00 O ATOM 595 CB PHE A 40 -6.425 -9.332 6.083 1.00 0.00 C ATOM 596 CG PHE A 40 -6.683 -9.882 7.466 1.00 0.00 C ATOM 597 CD1 PHE A 40 -5.952 -10.982 7.927 1.00 0.00 C ATOM 598 CD2 PHE A 40 -7.649 -9.289 8.288 1.00 0.00 C ATOM 599 CE1 PHE A 40 -6.186 -11.492 9.209 1.00 0.00 C ATOM 600 CE2 PHE A 40 -7.884 -9.798 9.572 1.00 0.00 C ATOM 601 CZ PHE A 40 -7.152 -10.899 10.032 1.00 0.00 C ATOM 0 H PHE A 40 -6.403 -6.829 5.857 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.556 -8.778 6.992 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.256 -8.701 5.768 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.352 -10.146 5.362 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.206 -11.438 7.293 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.213 -8.439 7.932 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.622 -12.342 9.564 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.629 -9.341 10.206 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.332 -11.291 11.022 1.00 0.00 H new ATOM 611 N CYS A 41 -4.225 -7.965 3.912 1.00 0.00 N ATOM 612 CA CYS A 41 -3.413 -8.234 2.692 1.00 0.00 C ATOM 613 C CYS A 41 -1.979 -7.762 2.929 1.00 0.00 C ATOM 614 O CYS A 41 -1.027 -8.460 2.635 1.00 0.00 O ATOM 615 CB CYS A 41 -4.006 -7.483 1.494 1.00 0.00 C ATOM 616 SG CYS A 41 -5.187 -8.550 0.630 1.00 0.00 S ATOM 0 H CYS A 41 -4.698 -7.061 3.929 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.420 -9.303 2.482 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.502 -6.573 1.832 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.211 -7.178 0.814 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.233 -7.856 0.294 1.00 0.00 H new ATOM 621 N TRP A 42 -1.817 -6.584 3.463 1.00 0.00 N ATOM 622 CA TRP A 42 -0.447 -6.064 3.723 1.00 0.00 C ATOM 623 C TRP A 42 0.183 -6.833 4.887 1.00 0.00 C ATOM 624 O TRP A 42 1.346 -6.667 5.195 1.00 0.00 O ATOM 625 CB TRP A 42 -0.530 -4.577 4.076 1.00 0.00 C ATOM 626 CG TRP A 42 0.815 -4.091 4.502 1.00 0.00 C ATOM 627 CD1 TRP A 42 1.790 -3.671 3.665 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.350 -3.967 5.850 1.00 0.00 C ATOM 629 NE1 TRP A 42 2.890 -3.295 4.412 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.669 -3.460 5.766 1.00 0.00 C ATOM 631 CE3 TRP A 42 0.824 -4.242 7.125 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.439 -3.235 6.906 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.597 -4.017 8.275 1.00 0.00 C ATOM 634 CH2 TRP A 42 2.902 -3.513 8.167 1.00 0.00 C ATOM 0 H TRP A 42 -2.576 -5.958 3.731 1.00 0.00 H new ATOM 0 HA TRP A 42 0.168 -6.195 2.832 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.879 -4.007 3.215 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.255 -4.422 4.875 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.720 -3.635 2.588 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.759 -2.939 4.013 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.180 -4.628 7.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.443 -2.849 6.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.184 -4.233 9.249 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.491 -3.340 9.056 1.00 0.00 H new ATOM 645 N HIS A 43 -0.575 -7.677 5.535 1.00 0.00 N ATOM 646 CA HIS A 43 -0.014 -8.457 6.675 1.00 0.00 C ATOM 647 C HIS A 43 0.567 -9.775 6.153 1.00 0.00 C ATOM 648 O HIS A 43 1.036 -10.600 6.912 1.00 0.00 O ATOM 649 CB HIS A 43 -1.122 -8.757 7.687 1.00 0.00 C ATOM 650 CG HIS A 43 -0.984 -7.840 8.873 1.00 0.00 C ATOM 651 ND1 HIS A 43 -0.109 -8.104 9.915 1.00 0.00 N ATOM 652 CD2 HIS A 43 -1.610 -6.663 9.198 1.00 0.00 C ATOM 653 CE1 HIS A 43 -0.233 -7.106 10.810 1.00 0.00 C ATOM 654 NE2 HIS A 43 -1.135 -6.201 10.421 1.00 0.00 N ATOM 0 H HIS A 43 -1.556 -7.859 5.324 1.00 0.00 H new ATOM 0 HA HIS A 43 0.771 -7.876 7.159 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -2.099 -8.623 7.222 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.062 -9.797 8.009 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -2.358 -6.170 8.595 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.329 -7.045 11.730 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -1.415 -5.353 10.915 1.00 0.00 H new ATOM 662 N ARG A 44 0.539 -9.981 4.863 1.00 0.00 N ATOM 663 CA ARG A 44 1.087 -11.246 4.297 1.00 0.00 C ATOM 664 C ARG A 44 2.223 -10.919 3.325 1.00 0.00 C ATOM 665 O ARG A 44 3.202 -11.635 3.234 1.00 0.00 O ATOM 666 CB ARG A 44 -0.022 -11.991 3.549 1.00 0.00 C ATOM 667 CG ARG A 44 0.565 -13.222 2.853 1.00 0.00 C ATOM 668 CD ARG A 44 0.491 -13.042 1.334 1.00 0.00 C ATOM 669 NE ARG A 44 -0.884 -13.370 0.858 1.00 0.00 N ATOM 670 CZ ARG A 44 -1.164 -13.315 -0.416 1.00 0.00 C ATOM 671 NH1 ARG A 44 -0.262 -13.649 -1.298 1.00 0.00 N ATOM 672 NH2 ARG A 44 -2.347 -12.925 -0.809 1.00 0.00 N ATOM 0 H ARG A 44 0.160 -9.327 4.178 1.00 0.00 H new ATOM 0 HA ARG A 44 1.467 -11.871 5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.805 -12.293 4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.485 -11.332 2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.600 -13.367 3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.016 -14.116 3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.744 -12.016 1.066 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.220 -13.688 0.845 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.605 -13.637 1.528 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.662 -13.953 -0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.481 -13.606 -2.293 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.053 -12.663 -0.120 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.565 -12.882 -1.804 1.00 0.00 H new ATOM 686 N ILE A 45 2.100 -9.843 2.598 1.00 0.00 N ATOM 687 CA ILE A 45 3.168 -9.468 1.630 1.00 0.00 C ATOM 688 C ILE A 45 4.447 -9.112 2.389 1.00 0.00 C ATOM 689 O ILE A 45 5.543 -9.395 1.947 1.00 0.00 O ATOM 690 CB ILE A 45 2.706 -8.260 0.811 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.627 -8.702 -0.181 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.892 -7.671 0.044 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.639 -7.555 -0.404 1.00 0.00 C ATOM 0 H ILE A 45 1.304 -9.206 2.633 1.00 0.00 H new ATOM 0 HA ILE A 45 3.367 -10.307 0.964 1.00 0.00 H new ATOM 0 HB ILE A 45 2.300 -7.503 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.084 -8.991 -1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.103 -9.578 0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.559 -6.812 -0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.661 -7.356 0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.302 -8.426 -0.627 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.130 -7.869 -1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.173 -7.287 0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.169 -6.691 -0.805 1.00 0.00 H new ATOM 705 N ARG A 46 4.320 -8.490 3.529 1.00 0.00 N ATOM 706 CA ARG A 46 5.534 -8.117 4.310 1.00 0.00 C ATOM 707 C ARG A 46 5.911 -9.264 5.251 1.00 0.00 C ATOM 708 O ARG A 46 6.534 -9.059 6.274 1.00 0.00 O ATOM 709 CB ARG A 46 5.249 -6.857 5.130 1.00 0.00 C ATOM 710 CG ARG A 46 6.540 -6.381 5.798 1.00 0.00 C ATOM 711 CD ARG A 46 6.511 -4.858 5.945 1.00 0.00 C ATOM 712 NE ARG A 46 6.915 -4.486 7.329 1.00 0.00 N ATOM 713 CZ ARG A 46 7.736 -3.488 7.523 1.00 0.00 C ATOM 714 NH1 ARG A 46 7.292 -2.366 8.021 1.00 0.00 N ATOM 715 NH2 ARG A 46 8.999 -3.614 7.220 1.00 0.00 N ATOM 0 H ARG A 46 3.431 -8.224 3.953 1.00 0.00 H new ATOM 0 HA ARG A 46 6.359 -7.924 3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.850 -6.073 4.486 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.491 -7.065 5.885 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.649 -6.849 6.776 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.402 -6.683 5.203 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.185 -4.399 5.222 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.511 -4.480 5.733 1.00 0.00 H new ATOM 0 HE ARG A 46 6.551 -5.010 8.125 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.305 -2.269 8.258 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.932 -1.587 8.173 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.345 -4.491 6.832 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.640 -2.835 7.371 1.00 0.00 H new ATOM 729 N THR A 47 5.541 -10.470 4.915 1.00 0.00 N ATOM 730 CA THR A 47 5.884 -11.626 5.792 1.00 0.00 C ATOM 731 C THR A 47 6.645 -12.674 4.976 1.00 0.00 C ATOM 732 O THR A 47 7.797 -12.959 5.236 1.00 0.00 O ATOM 733 CB THR A 47 4.601 -12.247 6.351 1.00 0.00 C ATOM 734 OG1 THR A 47 3.756 -11.217 6.843 1.00 0.00 O ATOM 735 CG2 THR A 47 4.952 -13.211 7.486 1.00 0.00 C ATOM 0 H THR A 47 5.017 -10.705 4.072 1.00 0.00 H new ATOM 0 HA THR A 47 6.507 -11.282 6.618 1.00 0.00 H new ATOM 0 HB THR A 47 4.085 -12.794 5.562 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.819 -11.480 6.728 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.038 -13.653 7.884 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.601 -14.000 7.106 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.467 -12.668 8.278 1.00 0.00 H new ATOM 743 N ASP A 48 6.012 -13.246 3.989 1.00 0.00 N ATOM 744 CA ASP A 48 6.702 -14.271 3.155 1.00 0.00 C ATOM 745 C ASP A 48 7.061 -13.666 1.795 1.00 0.00 C ATOM 746 O ASP A 48 7.684 -14.301 0.968 1.00 0.00 O ATOM 747 CB ASP A 48 5.775 -15.472 2.952 1.00 0.00 C ATOM 748 CG ASP A 48 6.601 -16.761 2.931 1.00 0.00 C ATOM 749 OD1 ASP A 48 7.774 -16.694 3.256 1.00 0.00 O ATOM 750 OD2 ASP A 48 6.044 -17.791 2.591 1.00 0.00 O ATOM 0 H ASP A 48 5.047 -13.048 3.724 1.00 0.00 H new ATOM 0 HA ASP A 48 7.612 -14.596 3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.037 -15.514 3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.225 -15.366 2.017 1.00 0.00 H new ATOM 755 N GLU A 49 6.675 -12.440 1.557 1.00 0.00 N ATOM 756 CA GLU A 49 6.996 -11.796 0.252 1.00 0.00 C ATOM 757 C GLU A 49 8.223 -10.898 0.417 1.00 0.00 C ATOM 758 O GLU A 49 9.071 -11.137 1.253 1.00 0.00 O ATOM 759 CB GLU A 49 5.808 -10.948 -0.206 1.00 0.00 C ATOM 760 CG GLU A 49 5.530 -11.213 -1.687 1.00 0.00 C ATOM 761 CD GLU A 49 4.417 -12.252 -1.819 1.00 0.00 C ATOM 762 OE1 GLU A 49 3.284 -11.920 -1.514 1.00 0.00 O ATOM 763 OE2 GLU A 49 4.716 -13.364 -2.222 1.00 0.00 O ATOM 0 H GLU A 49 6.151 -11.858 2.211 1.00 0.00 H new ATOM 0 HA GLU A 49 7.202 -12.566 -0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.926 -11.188 0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.021 -9.891 -0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.239 -10.288 -2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.435 -11.569 -2.180 1.00 0.00 H new ATOM 770 N ASN A 50 8.323 -9.863 -0.373 1.00 0.00 N ATOM 771 CA ASN A 50 9.495 -8.950 -0.257 1.00 0.00 C ATOM 772 C ASN A 50 9.004 -7.524 0.009 1.00 0.00 C ATOM 773 O ASN A 50 9.676 -6.558 -0.296 1.00 0.00 O ATOM 774 CB ASN A 50 10.299 -8.982 -1.559 1.00 0.00 C ATOM 775 CG ASN A 50 11.123 -10.269 -1.618 1.00 0.00 C ATOM 776 OD1 ASN A 50 11.567 -10.769 -0.602 1.00 0.00 O ATOM 777 ND2 ASN A 50 11.351 -10.833 -2.773 1.00 0.00 N ATOM 0 H ASN A 50 7.645 -9.611 -1.092 1.00 0.00 H new ATOM 0 HA ASN A 50 10.130 -9.275 0.567 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.627 -8.928 -2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.956 -8.114 -1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.900 -11.691 -2.822 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.980 -10.416 -3.626 1.00 0.00 H new ATOM 784 N GLY A 51 7.838 -7.386 0.578 1.00 0.00 N ATOM 785 CA GLY A 51 7.301 -6.026 0.870 1.00 0.00 C ATOM 786 C GLY A 51 7.285 -5.187 -0.410 1.00 0.00 C ATOM 787 O GLY A 51 7.531 -3.996 -0.387 1.00 0.00 O ATOM 0 H GLY A 51 7.232 -8.159 0.854 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.293 -6.103 1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.914 -5.538 1.627 1.00 0.00 H new ATOM 791 N LEU A 52 6.994 -5.794 -1.529 1.00 0.00 N ATOM 792 CA LEU A 52 6.963 -5.021 -2.803 1.00 0.00 C ATOM 793 C LEU A 52 5.527 -4.918 -3.315 1.00 0.00 C ATOM 794 O LEU A 52 4.658 -5.678 -2.936 1.00 0.00 O ATOM 795 CB LEU A 52 7.816 -5.728 -3.861 1.00 0.00 C ATOM 796 CG LEU A 52 9.301 -5.612 -3.509 1.00 0.00 C ATOM 797 CD1 LEU A 52 10.140 -5.980 -4.735 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.624 -4.176 -3.090 1.00 0.00 C ATOM 0 H LEU A 52 6.777 -6.787 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 52 7.359 -4.023 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.531 -6.778 -3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.632 -5.287 -4.841 1.00 0.00 H new ATOM 0 HG LEU A 52 9.530 -6.288 -2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.199 -5.899 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.915 -7.003 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.905 -5.301 -5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.682 -4.099 -2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.394 -3.497 -3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.026 -3.908 -2.219 1.00 0.00 H new ATOM 810 N CYS A 53 5.284 -3.983 -4.189 1.00 0.00 N ATOM 811 CA CYS A 53 3.919 -3.814 -4.758 1.00 0.00 C ATOM 812 C CYS A 53 3.823 -4.675 -6.028 1.00 0.00 C ATOM 813 O CYS A 53 4.580 -4.479 -6.952 1.00 0.00 O ATOM 814 CB CYS A 53 3.711 -2.330 -5.094 1.00 0.00 C ATOM 815 SG CYS A 53 2.299 -2.122 -6.207 1.00 0.00 S ATOM 0 H CYS A 53 5.979 -3.323 -4.537 1.00 0.00 H new ATOM 0 HA CYS A 53 3.151 -4.127 -4.050 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.545 -1.764 -4.178 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.611 -1.927 -5.559 1.00 0.00 H new ATOM 0 HG CYS A 53 1.196 -2.156 -5.520 1.00 0.00 H new ATOM 820 N PRO A 54 2.917 -5.623 -6.026 1.00 0.00 N ATOM 821 CA PRO A 54 2.731 -6.543 -7.168 1.00 0.00 C ATOM 822 C PRO A 54 1.945 -5.876 -8.303 1.00 0.00 C ATOM 823 O PRO A 54 1.778 -6.440 -9.366 1.00 0.00 O ATOM 824 CB PRO A 54 1.931 -7.700 -6.564 1.00 0.00 C ATOM 825 CG PRO A 54 1.227 -7.137 -5.307 1.00 0.00 C ATOM 826 CD PRO A 54 2.002 -5.873 -4.894 1.00 0.00 C ATOM 0 HA PRO A 54 3.676 -6.856 -7.612 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.202 -8.082 -7.278 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.587 -8.530 -6.302 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.185 -6.899 -5.521 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.227 -7.872 -4.502 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.331 -5.030 -4.731 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.551 -6.028 -3.965 1.00 0.00 H new ATOM 834 N ALA A 55 1.449 -4.692 -8.085 1.00 0.00 N ATOM 835 CA ALA A 55 0.663 -4.004 -9.150 1.00 0.00 C ATOM 836 C ALA A 55 1.583 -3.167 -10.051 1.00 0.00 C ATOM 837 O ALA A 55 1.326 -3.009 -11.228 1.00 0.00 O ATOM 838 CB ALA A 55 -0.373 -3.086 -8.499 1.00 0.00 C ATOM 0 H ALA A 55 1.553 -4.169 -7.216 1.00 0.00 H new ATOM 0 HA ALA A 55 0.168 -4.759 -9.760 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.950 -2.581 -9.274 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.043 -3.678 -7.876 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.135 -2.344 -7.883 1.00 0.00 H new ATOM 844 N CYS A 56 2.639 -2.615 -9.514 1.00 0.00 N ATOM 845 CA CYS A 56 3.543 -1.777 -10.360 1.00 0.00 C ATOM 846 C CYS A 56 5.015 -2.053 -10.016 1.00 0.00 C ATOM 847 O CYS A 56 5.915 -1.447 -10.564 1.00 0.00 O ATOM 848 CB CYS A 56 3.214 -0.294 -10.118 1.00 0.00 C ATOM 849 SG CYS A 56 4.070 0.315 -8.635 1.00 0.00 S ATOM 0 H CYS A 56 2.914 -2.706 -8.536 1.00 0.00 H new ATOM 0 HA CYS A 56 3.388 -2.025 -11.410 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.511 0.296 -10.985 1.00 0.00 H new ATOM 0 HB3 CYS A 56 2.138 -0.169 -10.001 1.00 0.00 H new ATOM 0 HG CYS A 56 3.198 0.781 -7.791 1.00 0.00 H new ATOM 854 N ARG A 57 5.264 -2.952 -9.109 1.00 0.00 N ATOM 855 CA ARG A 57 6.672 -3.260 -8.722 1.00 0.00 C ATOM 856 C ARG A 57 7.315 -2.028 -8.076 1.00 0.00 C ATOM 857 O ARG A 57 8.179 -1.394 -8.649 1.00 0.00 O ATOM 858 CB ARG A 57 7.473 -3.660 -9.963 1.00 0.00 C ATOM 859 CG ARG A 57 7.469 -5.183 -10.102 1.00 0.00 C ATOM 860 CD ARG A 57 6.030 -5.676 -10.246 1.00 0.00 C ATOM 861 NE ARG A 57 5.888 -6.432 -11.522 1.00 0.00 N ATOM 862 CZ ARG A 57 4.728 -6.916 -11.867 1.00 0.00 C ATOM 863 NH1 ARG A 57 4.550 -8.207 -11.920 1.00 0.00 N ATOM 864 NH2 ARG A 57 3.745 -6.107 -12.158 1.00 0.00 N ATOM 0 H ARG A 57 4.552 -3.491 -8.615 1.00 0.00 H new ATOM 0 HA ARG A 57 6.673 -4.084 -8.008 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.040 -3.202 -10.852 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.497 -3.294 -9.882 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.056 -5.481 -10.971 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.936 -5.640 -9.230 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.767 -6.314 -9.402 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.342 -4.831 -10.233 1.00 0.00 H new ATOM 0 HE ARG A 57 6.698 -6.571 -12.126 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.318 -8.838 -11.691 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.642 -8.586 -12.190 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.885 -5.098 -12.115 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.837 -6.485 -12.428 1.00 0.00 H new ATOM 878 N LYS A 58 6.910 -1.694 -6.882 1.00 0.00 N ATOM 879 CA LYS A 58 7.502 -0.513 -6.187 1.00 0.00 C ATOM 880 C LYS A 58 7.724 -0.869 -4.714 1.00 0.00 C ATOM 881 O LYS A 58 6.958 -1.614 -4.141 1.00 0.00 O ATOM 882 CB LYS A 58 6.544 0.679 -6.289 1.00 0.00 C ATOM 883 CG LYS A 58 7.005 1.612 -7.412 1.00 0.00 C ATOM 884 CD LYS A 58 6.522 3.036 -7.125 1.00 0.00 C ATOM 885 CE LYS A 58 5.288 3.339 -7.977 1.00 0.00 C ATOM 886 NZ LYS A 58 5.336 4.758 -8.432 1.00 0.00 N ATOM 0 H LYS A 58 6.191 -2.190 -6.354 1.00 0.00 H new ATOM 0 HA LYS A 58 8.451 -0.247 -6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.531 0.329 -6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.516 1.219 -5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.092 1.594 -7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.611 1.269 -8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.282 3.143 -6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.314 3.751 -7.346 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.254 2.671 -8.837 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.381 3.161 -7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.498 4.965 -9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.349 5.388 -7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.195 4.912 -8.998 1.00 0.00 H new ATOM 900 N PRO A 59 8.768 -0.331 -4.143 1.00 0.00 N ATOM 901 CA PRO A 59 9.113 -0.591 -2.735 1.00 0.00 C ATOM 902 C PRO A 59 8.168 0.164 -1.797 1.00 0.00 C ATOM 903 O PRO A 59 8.074 1.375 -1.833 1.00 0.00 O ATOM 904 CB PRO A 59 10.548 -0.072 -2.614 1.00 0.00 C ATOM 905 CG PRO A 59 10.744 0.940 -3.768 1.00 0.00 C ATOM 906 CD PRO A 59 9.691 0.589 -4.837 1.00 0.00 C ATOM 0 HA PRO A 59 9.024 -1.642 -2.460 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.708 0.405 -1.647 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.265 -0.890 -2.689 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.613 1.963 -3.414 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.752 0.871 -4.178 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.173 1.479 -5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.147 0.115 -5.706 1.00 0.00 H new ATOM 914 N TYR A 60 7.465 -0.548 -0.959 1.00 0.00 N ATOM 915 CA TYR A 60 6.520 0.118 -0.018 1.00 0.00 C ATOM 916 C TYR A 60 7.192 1.348 0.602 1.00 0.00 C ATOM 917 O TYR A 60 8.340 1.286 0.999 1.00 0.00 O ATOM 918 CB TYR A 60 6.133 -0.868 1.089 1.00 0.00 C ATOM 919 CG TYR A 60 5.336 -2.019 0.509 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.935 -2.000 -0.835 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.993 -3.109 1.321 1.00 0.00 C ATOM 922 CE1 TYR A 60 4.197 -3.064 -1.364 1.00 0.00 C ATOM 923 CE2 TYR A 60 4.254 -4.174 0.790 1.00 0.00 C ATOM 924 CZ TYR A 60 3.856 -4.151 -0.552 1.00 0.00 C ATOM 925 OH TYR A 60 3.127 -5.200 -1.074 1.00 0.00 O ATOM 0 H TYR A 60 7.504 -1.565 -0.885 1.00 0.00 H new ATOM 0 HA TYR A 60 5.627 0.432 -0.558 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.030 -1.247 1.578 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.546 -0.357 1.852 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.197 -1.161 -1.463 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.299 -3.128 2.357 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.890 -3.046 -2.399 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.991 -5.014 1.416 1.00 0.00 H new ATOM 0 HH TYR A 60 3.419 -5.376 -1.993 1.00 0.00 H new ATOM 935 N PRO A 61 6.457 2.433 0.674 1.00 0.00 N ATOM 936 CA PRO A 61 6.966 3.691 1.249 1.00 0.00 C ATOM 937 C PRO A 61 6.938 3.621 2.778 1.00 0.00 C ATOM 938 O PRO A 61 7.963 3.657 3.430 1.00 0.00 O ATOM 939 CB PRO A 61 5.985 4.747 0.733 1.00 0.00 C ATOM 940 CG PRO A 61 4.680 3.996 0.377 1.00 0.00 C ATOM 941 CD PRO A 61 5.058 2.513 0.192 1.00 0.00 C ATOM 0 HA PRO A 61 7.998 3.906 0.970 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.800 5.508 1.491 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.389 5.258 -0.141 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.939 4.111 1.169 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.238 4.399 -0.534 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.401 1.860 0.766 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.978 2.209 -0.852 1.00 0.00 H new