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 -112:sc= -0.697! USER MOD Set 1.2: A 33 CYS SG : rot -149:sc= -1.15 USER MOD Set 1.3: A 53 CYS SG : rot 44:sc= 1.34 USER MOD Set 1.4: A 56 CYS SG : rot -65:sc= -1.78! USER MOD Set 2.1: A 14 CYS SG : rot 167:sc= 0.396 USER MOD Set 2.2: A 17 CYS SG : rot -78:sc= 0.648 USER MOD Set 2.3: A 38 CYS SG : rot -136:sc= 0.475 USER MOD Set 2.4: A 41 CYS SG : rot 146:sc= -0.847 USER MOD Single : A 18 MET CE :methyl 169:sc= 0 (180deg=-0.156) USER MOD Single : A 27 ASN : amide:sc= -1.79 K(o=-1.8,f=-0.5) USER MOD Single : A 32 THR OG1 : rot 60:sc= 0.0909 USER MOD Single : A 35 TYR OH : rot 23:sc= -0.831 USER MOD Single : A 36 GLN : amide:sc= -2.49! X(o=-2.5!,f=-2.4) USER MOD Single : A 43 HIS : no HD1:sc= -0.0121 X(o=-0.012,f=-0.0089) USER MOD Single : A 47 THR OG1 : rot -50:sc= 0.0524 USER MOD Single : A 50 ASN : amide:sc= -0.103 K(o=-0.1,f=-2.4!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 67:sc= -1.68! USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -15.016 1.056 -1.703 1.00 0.00 N ATOM 166 CA VAL A 12 -13.606 0.659 -1.427 1.00 0.00 C ATOM 167 C VAL A 12 -13.594 -0.742 -0.813 1.00 0.00 C ATOM 168 O VAL A 12 -13.772 -0.909 0.378 1.00 0.00 O ATOM 169 CB VAL A 12 -12.967 1.652 -0.449 1.00 0.00 C ATOM 170 CG1 VAL A 12 -11.476 1.786 -0.759 1.00 0.00 C ATOM 171 CG2 VAL A 12 -13.636 3.022 -0.591 1.00 0.00 C ATOM 0 HA VAL A 12 -13.038 0.661 -2.357 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.100 1.287 0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.022 2.492 -0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.994 0.814 -0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.348 2.148 -1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.179 3.724 0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.507 3.386 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.700 2.932 -0.370 1.00 0.00 H new ATOM 181 N GLU A 13 -13.396 -1.753 -1.615 1.00 0.00 N ATOM 182 CA GLU A 13 -13.388 -3.142 -1.074 1.00 0.00 C ATOM 183 C GLU A 13 -12.160 -3.896 -1.593 1.00 0.00 C ATOM 184 O GLU A 13 -11.983 -4.064 -2.783 1.00 0.00 O ATOM 185 CB GLU A 13 -14.656 -3.868 -1.526 1.00 0.00 C ATOM 186 CG GLU A 13 -15.395 -4.422 -0.307 1.00 0.00 C ATOM 187 CD GLU A 13 -16.901 -4.412 -0.577 1.00 0.00 C ATOM 188 OE1 GLU A 13 -17.358 -5.277 -1.305 1.00 0.00 O ATOM 189 OE2 GLU A 13 -17.572 -3.538 -0.053 1.00 0.00 O ATOM 0 H GLU A 13 -13.240 -1.677 -2.620 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.352 -3.104 0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.302 -3.183 -2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.399 -4.679 -2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.059 -5.437 -0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.168 -3.821 0.574 1.00 0.00 H new ATOM 196 N CYS A 14 -11.317 -4.360 -0.708 1.00 0.00 N ATOM 197 CA CYS A 14 -10.109 -5.110 -1.152 1.00 0.00 C ATOM 198 C CYS A 14 -10.511 -6.102 -2.251 1.00 0.00 C ATOM 199 O CYS A 14 -11.094 -7.126 -1.967 1.00 0.00 O ATOM 200 CB CYS A 14 -9.523 -5.880 0.034 1.00 0.00 C ATOM 201 SG CYS A 14 -7.768 -6.207 -0.266 1.00 0.00 S ATOM 0 H CYS A 14 -11.414 -4.251 0.302 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.365 -4.413 -1.537 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.645 -5.304 0.951 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.060 -6.818 0.173 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.208 -6.613 0.835 1.00 0.00 H new ATOM 206 N PRO A 15 -10.193 -5.765 -3.476 1.00 0.00 N ATOM 207 CA PRO A 15 -10.516 -6.611 -4.639 1.00 0.00 C ATOM 208 C PRO A 15 -9.505 -7.755 -4.763 1.00 0.00 C ATOM 209 O PRO A 15 -9.605 -8.593 -5.638 1.00 0.00 O ATOM 210 CB PRO A 15 -10.395 -5.652 -5.824 1.00 0.00 C ATOM 211 CG PRO A 15 -9.473 -4.499 -5.358 1.00 0.00 C ATOM 212 CD PRO A 15 -9.487 -4.514 -3.818 1.00 0.00 C ATOM 0 HA PRO A 15 -11.499 -7.077 -4.570 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.975 -6.159 -6.693 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.373 -5.273 -6.118 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.460 -4.636 -5.737 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.829 -3.542 -5.739 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.476 -4.502 -3.410 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -10.003 -3.642 -3.416 1.00 0.00 H new ATOM 220 N LEU A 16 -8.528 -7.789 -3.900 1.00 0.00 N ATOM 221 CA LEU A 16 -7.507 -8.870 -3.970 1.00 0.00 C ATOM 222 C LEU A 16 -7.897 -10.010 -3.025 1.00 0.00 C ATOM 223 O LEU A 16 -7.514 -11.147 -3.218 1.00 0.00 O ATOM 224 CB LEU A 16 -6.148 -8.303 -3.560 1.00 0.00 C ATOM 225 CG LEU A 16 -5.901 -6.994 -4.312 1.00 0.00 C ATOM 226 CD1 LEU A 16 -5.774 -5.845 -3.312 1.00 0.00 C ATOM 227 CD2 LEU A 16 -4.609 -7.109 -5.120 1.00 0.00 C ATOM 0 H LEU A 16 -8.393 -7.113 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.451 -9.255 -4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.123 -8.129 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.359 -9.020 -3.785 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.737 -6.799 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.598 -4.913 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.694 -5.762 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.939 -6.039 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.431 -6.177 -5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.775 -7.305 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.698 -7.928 -5.834 1.00 0.00 H new ATOM 239 N CYS A 17 -8.658 -9.716 -2.006 1.00 0.00 N ATOM 240 CA CYS A 17 -9.072 -10.788 -1.054 1.00 0.00 C ATOM 241 C CYS A 17 -10.564 -10.639 -0.736 1.00 0.00 C ATOM 242 O CYS A 17 -11.106 -11.340 0.095 1.00 0.00 O ATOM 243 CB CYS A 17 -8.241 -10.678 0.235 1.00 0.00 C ATOM 244 SG CYS A 17 -8.925 -9.395 1.323 1.00 0.00 S ATOM 0 H CYS A 17 -9.010 -8.783 -1.791 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.901 -11.766 -1.504 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.234 -11.637 0.753 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.206 -10.441 -0.011 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.571 -8.223 0.887 1.00 0.00 H new ATOM 249 N MET A 18 -11.226 -9.724 -1.386 1.00 0.00 N ATOM 250 CA MET A 18 -12.675 -9.519 -1.123 1.00 0.00 C ATOM 251 C MET A 18 -12.886 -9.189 0.357 1.00 0.00 C ATOM 252 O MET A 18 -12.852 -10.056 1.207 1.00 0.00 O ATOM 253 CB MET A 18 -13.445 -10.792 -1.478 1.00 0.00 C ATOM 254 CG MET A 18 -14.421 -10.497 -2.619 1.00 0.00 C ATOM 255 SD MET A 18 -14.771 -12.025 -3.526 1.00 0.00 S ATOM 256 CE MET A 18 -15.737 -12.843 -2.231 1.00 0.00 C ATOM 0 H MET A 18 -10.823 -9.107 -2.091 1.00 0.00 H new ATOM 0 HA MET A 18 -13.040 -8.693 -1.734 1.00 0.00 H new ATOM 0 HB2 MET A 18 -12.751 -11.579 -1.773 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.988 -11.156 -0.606 1.00 0.00 H new ATOM 0 HG2 MET A 18 -15.345 -10.078 -2.222 1.00 0.00 H new ATOM 0 HG3 MET A 18 -13.996 -9.752 -3.291 1.00 0.00 H new ATOM 0 HE1 MET A 18 -16.223 -13.727 -2.643 1.00 0.00 H new ATOM 0 HE2 MET A 18 -15.076 -13.139 -1.416 1.00 0.00 H new ATOM 0 HE3 MET A 18 -16.494 -12.156 -1.853 1.00 0.00 H new ATOM 266 N GLU A 19 -13.105 -7.940 0.673 1.00 0.00 N ATOM 267 CA GLU A 19 -13.318 -7.556 2.097 1.00 0.00 C ATOM 268 C GLU A 19 -13.677 -6.068 2.172 1.00 0.00 C ATOM 269 O GLU A 19 -13.269 -5.292 1.330 1.00 0.00 O ATOM 270 CB GLU A 19 -12.036 -7.812 2.891 1.00 0.00 C ATOM 271 CG GLU A 19 -12.299 -8.879 3.956 1.00 0.00 C ATOM 272 CD GLU A 19 -11.587 -8.493 5.254 1.00 0.00 C ATOM 273 OE1 GLU A 19 -10.489 -7.967 5.171 1.00 0.00 O ATOM 274 OE2 GLU A 19 -12.152 -8.729 6.309 1.00 0.00 O ATOM 0 H GLU A 19 -13.145 -7.170 0.006 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.130 -8.149 2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.240 -8.140 2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.697 -6.889 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.370 -8.976 4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.944 -9.849 3.609 1.00 0.00 H new ATOM 281 N PRO A 20 -14.435 -5.717 3.180 1.00 0.00 N ATOM 282 CA PRO A 20 -14.872 -4.327 3.398 1.00 0.00 C ATOM 283 C PRO A 20 -13.743 -3.500 4.020 1.00 0.00 C ATOM 284 O PRO A 20 -13.346 -3.722 5.146 1.00 0.00 O ATOM 285 CB PRO A 20 -16.045 -4.467 4.370 1.00 0.00 C ATOM 286 CG PRO A 20 -15.855 -5.826 5.088 1.00 0.00 C ATOM 287 CD PRO A 20 -14.926 -6.671 4.195 1.00 0.00 C ATOM 0 HA PRO A 20 -15.148 -3.816 2.476 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -16.056 -3.646 5.087 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.996 -4.438 3.838 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.418 -5.684 6.076 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.813 -6.325 5.232 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.105 -7.101 4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.462 -7.501 3.735 1.00 0.00 H new ATOM 295 N LEU A 21 -13.225 -2.549 3.295 1.00 0.00 N ATOM 296 CA LEU A 21 -12.126 -1.706 3.839 1.00 0.00 C ATOM 297 C LEU A 21 -12.641 -0.895 5.030 1.00 0.00 C ATOM 298 O LEU A 21 -13.776 -0.462 5.054 1.00 0.00 O ATOM 299 CB LEU A 21 -11.639 -0.754 2.748 1.00 0.00 C ATOM 300 CG LEU A 21 -10.655 -1.486 1.839 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.794 -0.967 0.406 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.231 -1.238 2.335 1.00 0.00 C ATOM 0 H LEU A 21 -13.517 -2.319 2.345 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.305 -2.343 4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.485 -0.387 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.159 0.116 3.197 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.869 -2.555 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.090 -1.491 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.810 -1.141 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.580 0.102 0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.525 -1.759 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.020 -0.169 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.131 -1.609 3.355 1.00 0.00 H new ATOM 314 N GLU A 22 -11.814 -0.683 6.019 1.00 0.00 N ATOM 315 CA GLU A 22 -12.258 0.103 7.204 1.00 0.00 C ATOM 316 C GLU A 22 -12.117 1.596 6.903 1.00 0.00 C ATOM 317 O GLU A 22 -12.220 2.022 5.769 1.00 0.00 O ATOM 318 CB GLU A 22 -11.391 -0.261 8.413 1.00 0.00 C ATOM 319 CG GLU A 22 -11.249 -1.782 8.503 1.00 0.00 C ATOM 320 CD GLU A 22 -12.196 -2.321 9.577 1.00 0.00 C ATOM 321 OE1 GLU A 22 -13.332 -1.881 9.612 1.00 0.00 O ATOM 322 OE2 GLU A 22 -11.767 -3.165 10.347 1.00 0.00 O ATOM 0 H GLU A 22 -10.852 -1.020 6.056 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.300 -0.127 7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.408 0.201 8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.842 0.127 9.327 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.479 -2.237 7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.220 -2.048 8.744 1.00 0.00 H new ATOM 329 N ILE A 23 -11.884 2.397 7.906 1.00 0.00 N ATOM 330 CA ILE A 23 -11.739 3.862 7.672 1.00 0.00 C ATOM 331 C ILE A 23 -10.279 4.185 7.353 1.00 0.00 C ATOM 332 O ILE A 23 -9.968 4.749 6.322 1.00 0.00 O ATOM 333 CB ILE A 23 -12.166 4.624 8.928 1.00 0.00 C ATOM 334 CG1 ILE A 23 -13.668 4.436 9.154 1.00 0.00 C ATOM 335 CG2 ILE A 23 -11.860 6.112 8.751 1.00 0.00 C ATOM 336 CD1 ILE A 23 -14.430 4.836 7.889 1.00 0.00 C ATOM 0 H ILE A 23 -11.788 2.101 8.877 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.369 4.160 6.834 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.618 4.240 9.789 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.881 3.397 9.406 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -13.998 5.043 9.997 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.164 6.655 9.646 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.790 6.247 8.591 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.407 6.496 7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -15.500 4.702 8.051 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.226 5.881 7.657 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.108 4.210 7.057 1.00 0.00 H new ATOM 348 N ASP A 24 -9.380 3.837 8.232 1.00 0.00 N ATOM 349 CA ASP A 24 -7.940 4.127 7.981 1.00 0.00 C ATOM 350 C ASP A 24 -7.418 3.217 6.865 1.00 0.00 C ATOM 351 O ASP A 24 -6.326 3.400 6.365 1.00 0.00 O ATOM 352 CB ASP A 24 -7.139 3.874 9.259 1.00 0.00 C ATOM 353 CG ASP A 24 -7.111 5.148 10.104 1.00 0.00 C ATOM 354 OD1 ASP A 24 -6.324 6.026 9.791 1.00 0.00 O ATOM 355 OD2 ASP A 24 -7.876 5.225 11.052 1.00 0.00 O ATOM 0 H ASP A 24 -9.580 3.364 9.113 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.829 5.169 7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.587 3.058 9.826 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.123 3.568 9.010 1.00 0.00 H new ATOM 360 N ASP A 25 -8.187 2.239 6.472 1.00 0.00 N ATOM 361 CA ASP A 25 -7.731 1.320 5.391 1.00 0.00 C ATOM 362 C ASP A 25 -8.097 1.907 4.026 1.00 0.00 C ATOM 363 O ASP A 25 -7.728 1.380 2.996 1.00 0.00 O ATOM 364 CB ASP A 25 -8.411 -0.040 5.556 1.00 0.00 C ATOM 365 CG ASP A 25 -7.978 -0.674 6.880 1.00 0.00 C ATOM 366 OD1 ASP A 25 -7.941 0.039 7.871 1.00 0.00 O ATOM 367 OD2 ASP A 25 -7.691 -1.859 6.881 1.00 0.00 O ATOM 0 H ASP A 25 -9.111 2.036 6.853 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.650 1.199 5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.494 0.079 5.535 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.146 -0.693 4.725 1.00 0.00 H new ATOM 372 N ILE A 26 -8.822 2.991 4.008 1.00 0.00 N ATOM 373 CA ILE A 26 -9.210 3.605 2.705 1.00 0.00 C ATOM 374 C ILE A 26 -7.971 4.196 2.028 1.00 0.00 C ATOM 375 O ILE A 26 -7.573 3.774 0.962 1.00 0.00 O ATOM 376 CB ILE A 26 -10.235 4.711 2.949 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.438 4.137 3.702 1.00 0.00 C ATOM 378 CG2 ILE A 26 -10.699 5.282 1.607 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.206 3.184 2.784 1.00 0.00 C ATOM 0 H ILE A 26 -9.163 3.478 4.837 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.645 2.842 2.060 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.779 5.503 3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.104 3.609 4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.091 4.944 4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.430 6.071 1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.843 5.692 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.154 4.490 1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.063 2.775 3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.553 3.727 1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -11.550 2.371 2.473 1.00 0.00 H new ATOM 391 N ASN A 27 -7.359 5.172 2.642 1.00 0.00 N ATOM 392 CA ASN A 27 -6.144 5.792 2.036 1.00 0.00 C ATOM 393 C ASN A 27 -4.901 5.037 2.512 1.00 0.00 C ATOM 394 O ASN A 27 -3.813 5.575 2.555 1.00 0.00 O ATOM 395 CB ASN A 27 -6.046 7.258 2.468 1.00 0.00 C ATOM 396 CG ASN A 27 -6.399 7.383 3.952 1.00 0.00 C ATOM 397 OD1 ASN A 27 -7.337 8.068 4.309 1.00 0.00 O ATOM 398 ND2 ASN A 27 -5.685 6.744 4.837 1.00 0.00 N ATOM 0 H ASN A 27 -7.647 5.567 3.537 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.212 5.739 0.949 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.038 7.633 2.291 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.722 7.869 1.871 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.914 6.819 5.828 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.898 6.169 4.538 1.00 0.00 H new ATOM 405 N PHE A 28 -5.056 3.792 2.871 1.00 0.00 N ATOM 406 CA PHE A 28 -3.886 3.004 3.345 1.00 0.00 C ATOM 407 C PHE A 28 -3.386 2.097 2.217 1.00 0.00 C ATOM 408 O PHE A 28 -4.065 1.182 1.795 1.00 0.00 O ATOM 409 CB PHE A 28 -4.298 2.144 4.544 1.00 0.00 C ATOM 410 CG PHE A 28 -3.224 1.118 4.821 1.00 0.00 C ATOM 411 CD1 PHE A 28 -1.992 1.520 5.346 1.00 0.00 C ATOM 412 CD2 PHE A 28 -3.461 -0.234 4.545 1.00 0.00 C ATOM 413 CE1 PHE A 28 -0.995 0.570 5.597 1.00 0.00 C ATOM 414 CE2 PHE A 28 -2.463 -1.184 4.794 1.00 0.00 C ATOM 415 CZ PHE A 28 -1.231 -0.782 5.321 1.00 0.00 C ATOM 0 H PHE A 28 -5.942 3.288 2.856 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.090 3.686 3.643 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.450 2.773 5.421 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.247 1.647 4.340 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.810 2.563 5.558 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.413 -0.544 4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.044 0.880 6.004 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.644 -2.227 4.579 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.462 -1.515 5.515 1.00 0.00 H new ATOM 425 N PHE A 29 -2.199 2.338 1.736 1.00 0.00 N ATOM 426 CA PHE A 29 -1.648 1.484 0.646 1.00 0.00 C ATOM 427 C PHE A 29 -0.170 1.214 0.919 1.00 0.00 C ATOM 428 O PHE A 29 0.523 2.059 1.450 1.00 0.00 O ATOM 429 CB PHE A 29 -1.779 2.198 -0.703 1.00 0.00 C ATOM 430 CG PHE A 29 -1.697 3.688 -0.497 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.477 4.284 -0.149 1.00 0.00 C ATOM 432 CD2 PHE A 29 -2.845 4.475 -0.647 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.408 5.668 0.047 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.778 5.857 -0.450 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.559 6.455 -0.103 1.00 0.00 C ATOM 0 H PHE A 29 -1.586 3.090 2.050 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.205 0.547 0.614 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.988 1.870 -1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.727 1.937 -1.173 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.408 3.676 -0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.784 4.013 -0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.531 6.130 0.314 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.664 6.463 -0.565 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.506 7.523 0.049 1.00 0.00 H new ATOM 445 N PRO A 30 0.272 0.047 0.537 1.00 0.00 N ATOM 446 CA PRO A 30 1.673 -0.356 0.715 1.00 0.00 C ATOM 447 C PRO A 30 2.536 0.320 -0.348 1.00 0.00 C ATOM 448 O PRO A 30 3.745 0.320 -0.271 1.00 0.00 O ATOM 449 CB PRO A 30 1.640 -1.874 0.518 1.00 0.00 C ATOM 450 CG PRO A 30 0.366 -2.179 -0.302 1.00 0.00 C ATOM 451 CD PRO A 30 -0.576 -0.975 -0.111 1.00 0.00 C ATOM 0 HA PRO A 30 2.092 -0.076 1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.531 -2.217 -0.007 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.617 -2.390 1.478 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.607 -2.319 -1.356 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.106 -3.099 0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.969 -0.621 -1.064 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.433 -1.234 0.510 1.00 0.00 H new ATOM 459 N CYS A 31 1.917 0.902 -1.340 1.00 0.00 N ATOM 460 CA CYS A 31 2.696 1.581 -2.412 1.00 0.00 C ATOM 461 C CYS A 31 1.923 2.811 -2.898 1.00 0.00 C ATOM 462 O CYS A 31 0.719 2.897 -2.752 1.00 0.00 O ATOM 463 CB CYS A 31 2.900 0.606 -3.574 1.00 0.00 C ATOM 464 SG CYS A 31 3.548 1.495 -5.010 1.00 0.00 S ATOM 0 H CYS A 31 0.904 0.936 -1.453 1.00 0.00 H new ATOM 0 HA CYS A 31 3.665 1.895 -2.026 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.591 -0.184 -3.281 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.955 0.125 -3.828 1.00 0.00 H new ATOM 0 HG CYS A 31 2.648 1.520 -5.948 1.00 0.00 H new ATOM 469 N THR A 32 2.604 3.766 -3.472 1.00 0.00 N ATOM 470 CA THR A 32 1.905 4.989 -3.961 1.00 0.00 C ATOM 471 C THR A 32 1.469 4.795 -5.416 1.00 0.00 C ATOM 472 O THR A 32 2.017 5.391 -6.322 1.00 0.00 O ATOM 473 CB THR A 32 2.853 6.189 -3.874 1.00 0.00 C ATOM 474 OG1 THR A 32 4.125 5.825 -4.398 1.00 0.00 O ATOM 475 CG2 THR A 32 2.997 6.622 -2.413 1.00 0.00 C ATOM 0 H THR A 32 3.613 3.752 -3.623 1.00 0.00 H new ATOM 0 HA THR A 32 1.026 5.168 -3.342 1.00 0.00 H new ATOM 0 HB THR A 32 2.448 7.018 -4.454 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.028 5.557 -5.336 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.672 7.476 -2.351 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.020 6.902 -2.019 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.402 5.797 -1.827 1.00 0.00 H new ATOM 483 N CYS A 33 0.480 3.975 -5.650 1.00 0.00 N ATOM 484 CA CYS A 33 0.011 3.759 -7.048 1.00 0.00 C ATOM 485 C CYS A 33 -1.466 3.350 -7.042 1.00 0.00 C ATOM 486 O CYS A 33 -1.981 2.833 -8.013 1.00 0.00 O ATOM 487 CB CYS A 33 0.853 2.666 -7.712 1.00 0.00 C ATOM 488 SG CYS A 33 0.423 1.052 -7.019 1.00 0.00 S ATOM 0 H CYS A 33 -0.022 3.447 -4.936 1.00 0.00 H new ATOM 0 HA CYS A 33 0.121 4.686 -7.612 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.682 2.667 -8.788 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.913 2.867 -7.558 1.00 0.00 H new ATOM 0 HG CYS A 33 1.465 0.275 -7.049 1.00 0.00 H new ATOM 493 N GLY A 34 -2.153 3.590 -5.958 1.00 0.00 N ATOM 494 CA GLY A 34 -3.600 3.230 -5.894 1.00 0.00 C ATOM 495 C GLY A 34 -3.764 1.724 -5.669 1.00 0.00 C ATOM 496 O GLY A 34 -4.846 1.186 -5.791 1.00 0.00 O ATOM 0 H GLY A 34 -1.775 4.020 -5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.083 3.780 -5.086 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.096 3.522 -6.820 1.00 0.00 H new ATOM 500 N TYR A 35 -2.706 1.040 -5.328 1.00 0.00 N ATOM 501 CA TYR A 35 -2.816 -0.428 -5.080 1.00 0.00 C ATOM 502 C TYR A 35 -3.134 -0.645 -3.589 1.00 0.00 C ATOM 503 O TYR A 35 -2.770 -1.634 -2.988 1.00 0.00 O ATOM 504 CB TYR A 35 -1.486 -1.101 -5.476 1.00 0.00 C ATOM 505 CG TYR A 35 -1.362 -2.470 -4.842 1.00 0.00 C ATOM 506 CD1 TYR A 35 -2.192 -3.523 -5.253 1.00 0.00 C ATOM 507 CD2 TYR A 35 -0.411 -2.682 -3.836 1.00 0.00 C ATOM 508 CE1 TYR A 35 -2.068 -4.784 -4.655 1.00 0.00 C ATOM 509 CE2 TYR A 35 -0.290 -3.941 -3.240 1.00 0.00 C ATOM 510 CZ TYR A 35 -1.117 -4.992 -3.649 1.00 0.00 C ATOM 511 OH TYR A 35 -0.997 -6.234 -3.060 1.00 0.00 O ATOM 0 H TYR A 35 -1.772 1.432 -5.210 1.00 0.00 H new ATOM 0 HA TYR A 35 -3.613 -0.872 -5.676 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.429 -1.192 -6.561 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -0.650 -0.475 -5.164 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.926 -3.362 -6.029 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.230 -1.872 -3.520 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.706 -5.596 -4.970 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.443 -4.102 -2.463 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.351 -6.919 -3.665 1.00 0.00 H new ATOM 521 N GLN A 36 -3.828 0.287 -2.988 1.00 0.00 N ATOM 522 CA GLN A 36 -4.176 0.147 -1.547 1.00 0.00 C ATOM 523 C GLN A 36 -4.879 -1.190 -1.314 1.00 0.00 C ATOM 524 O GLN A 36 -5.714 -1.610 -2.090 1.00 0.00 O ATOM 525 CB GLN A 36 -5.110 1.287 -1.129 1.00 0.00 C ATOM 526 CG GLN A 36 -6.182 1.493 -2.200 1.00 0.00 C ATOM 527 CD GLN A 36 -7.506 1.866 -1.529 1.00 0.00 C ATOM 528 OE1 GLN A 36 -8.263 1.004 -1.129 1.00 0.00 O ATOM 529 NE2 GLN A 36 -7.819 3.126 -1.389 1.00 0.00 N ATOM 0 H GLN A 36 -4.168 1.138 -3.435 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.262 0.187 -0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.578 1.055 -0.172 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.539 2.205 -0.990 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.877 2.280 -2.889 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.303 0.584 -2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.183 3.850 -1.725 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.699 3.386 -0.944 1.00 0.00 H new ATOM 538 N ILE A 37 -4.549 -1.858 -0.246 1.00 0.00 N ATOM 539 CA ILE A 37 -5.198 -3.162 0.048 1.00 0.00 C ATOM 540 C ILE A 37 -5.688 -3.160 1.495 1.00 0.00 C ATOM 541 O ILE A 37 -5.570 -2.175 2.198 1.00 0.00 O ATOM 542 CB ILE A 37 -4.189 -4.295 -0.155 1.00 0.00 C ATOM 543 CG1 ILE A 37 -3.028 -4.129 0.828 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.650 -4.251 -1.585 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.967 -5.193 0.543 1.00 0.00 C ATOM 0 H ILE A 37 -3.855 -1.555 0.438 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.043 -3.313 -0.624 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.682 -5.251 0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.595 -3.133 0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.388 -4.223 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.932 -5.058 -1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.474 -4.370 -2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.159 -3.294 -1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.139 -5.077 1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.405 -6.184 0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.600 -5.077 -0.477 1.00 0.00 H new ATOM 557 N CYS A 38 -6.237 -4.252 1.950 1.00 0.00 N ATOM 558 CA CYS A 38 -6.732 -4.302 3.352 1.00 0.00 C ATOM 559 C CYS A 38 -5.561 -4.631 4.284 1.00 0.00 C ATOM 560 O CYS A 38 -4.519 -5.081 3.850 1.00 0.00 O ATOM 561 CB CYS A 38 -7.829 -5.370 3.471 1.00 0.00 C ATOM 562 SG CYS A 38 -7.091 -7.025 3.475 1.00 0.00 S ATOM 0 H CYS A 38 -6.364 -5.109 1.412 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.153 -3.337 3.635 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.399 -5.216 4.387 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.529 -5.278 2.640 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.781 -7.810 2.702 1.00 0.00 H new ATOM 567 N ARG A 39 -5.715 -4.400 5.559 1.00 0.00 N ATOM 568 CA ARG A 39 -4.600 -4.693 6.503 1.00 0.00 C ATOM 569 C ARG A 39 -4.335 -6.199 6.537 1.00 0.00 C ATOM 570 O ARG A 39 -3.258 -6.641 6.887 1.00 0.00 O ATOM 571 CB ARG A 39 -4.971 -4.205 7.905 1.00 0.00 C ATOM 572 CG ARG A 39 -4.133 -2.973 8.251 1.00 0.00 C ATOM 573 CD ARG A 39 -5.048 -1.857 8.758 1.00 0.00 C ATOM 574 NE ARG A 39 -4.583 -1.405 10.100 1.00 0.00 N ATOM 575 CZ ARG A 39 -5.450 -1.010 10.992 1.00 0.00 C ATOM 576 NH1 ARG A 39 -5.768 -1.796 11.984 1.00 0.00 N ATOM 577 NH2 ARG A 39 -5.998 0.170 10.894 1.00 0.00 N ATOM 0 H ARG A 39 -6.561 -4.023 5.986 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.700 -4.177 6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.032 -3.961 7.948 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.796 -4.995 8.635 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.394 -3.225 9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.584 -2.636 7.372 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.042 -1.021 8.059 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.076 -2.214 8.819 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.587 -1.404 10.321 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.339 -2.718 12.062 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.445 -1.488 12.682 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.749 0.785 10.119 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.675 0.477 11.592 1.00 0.00 H new ATOM 591 N PHE A 40 -5.305 -6.993 6.173 1.00 0.00 N ATOM 592 CA PHE A 40 -5.101 -8.469 6.184 1.00 0.00 C ATOM 593 C PHE A 40 -4.280 -8.880 4.957 1.00 0.00 C ATOM 594 O PHE A 40 -3.710 -9.952 4.910 1.00 0.00 O ATOM 595 CB PHE A 40 -6.462 -9.170 6.148 1.00 0.00 C ATOM 596 CG PHE A 40 -6.482 -10.277 7.174 1.00 0.00 C ATOM 597 CD1 PHE A 40 -5.347 -11.072 7.364 1.00 0.00 C ATOM 598 CD2 PHE A 40 -7.634 -10.507 7.935 1.00 0.00 C ATOM 599 CE1 PHE A 40 -5.362 -12.099 8.314 1.00 0.00 C ATOM 600 CE2 PHE A 40 -7.650 -11.535 8.886 1.00 0.00 C ATOM 601 CZ PHE A 40 -6.514 -12.330 9.075 1.00 0.00 C ATOM 0 H PHE A 40 -6.228 -6.684 5.869 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.567 -8.757 7.090 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.258 -8.454 6.353 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.648 -9.577 5.154 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.458 -10.893 6.777 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.510 -9.892 7.789 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.486 -12.713 8.460 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.539 -11.714 9.473 1.00 0.00 H new ATOM 0 HZ PHE A 40 -6.526 -13.122 9.809 1.00 0.00 H new ATOM 611 N CYS A 41 -4.212 -8.033 3.965 1.00 0.00 N ATOM 612 CA CYS A 41 -3.425 -8.371 2.744 1.00 0.00 C ATOM 613 C CYS A 41 -1.989 -7.869 2.905 1.00 0.00 C ATOM 614 O CYS A 41 -1.041 -8.537 2.542 1.00 0.00 O ATOM 615 CB CYS A 41 -4.065 -7.704 1.521 1.00 0.00 C ATOM 616 SG CYS A 41 -5.276 -8.827 0.781 1.00 0.00 S ATOM 0 H CYS A 41 -4.668 -7.121 3.948 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.418 -9.452 2.606 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.549 -6.773 1.814 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.298 -7.448 0.791 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.262 -8.138 0.287 1.00 0.00 H new ATOM 621 N TRP A 42 -1.824 -6.690 3.441 1.00 0.00 N ATOM 622 CA TRP A 42 -0.453 -6.131 3.623 1.00 0.00 C ATOM 623 C TRP A 42 0.292 -6.926 4.697 1.00 0.00 C ATOM 624 O TRP A 42 1.495 -7.089 4.639 1.00 0.00 O ATOM 625 CB TRP A 42 -0.559 -4.667 4.056 1.00 0.00 C ATOM 626 CG TRP A 42 0.813 -4.099 4.240 1.00 0.00 C ATOM 627 CD1 TRP A 42 1.707 -3.891 3.247 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.459 -3.664 5.471 1.00 0.00 C ATOM 629 NE1 TRP A 42 2.860 -3.355 3.789 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.757 -3.197 5.157 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.050 -3.630 6.817 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.619 -2.713 6.142 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.915 -3.143 7.811 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.197 -2.685 7.474 1.00 0.00 C ATOM 0 H TRP A 42 -2.582 -6.088 3.762 1.00 0.00 H new ATOM 0 HA TRP A 42 0.094 -6.199 2.682 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.104 -4.094 3.306 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.123 -4.592 4.986 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.546 -4.108 2.201 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.686 -3.106 3.245 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.065 -3.980 7.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.605 -2.362 5.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.591 -3.121 8.841 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.857 -2.311 8.243 1.00 0.00 H new ATOM 645 N HIS A 43 -0.409 -7.417 5.681 1.00 0.00 N ATOM 646 CA HIS A 43 0.261 -8.193 6.762 1.00 0.00 C ATOM 647 C HIS A 43 0.844 -9.488 6.189 1.00 0.00 C ATOM 648 O HIS A 43 1.580 -10.192 6.852 1.00 0.00 O ATOM 649 CB HIS A 43 -0.760 -8.532 7.850 1.00 0.00 C ATOM 650 CG HIS A 43 -0.465 -7.722 9.080 1.00 0.00 C ATOM 651 ND1 HIS A 43 -0.318 -8.301 10.331 1.00 0.00 N ATOM 652 CD2 HIS A 43 -0.284 -6.374 9.268 1.00 0.00 C ATOM 653 CE1 HIS A 43 -0.060 -7.312 11.208 1.00 0.00 C ATOM 654 NE2 HIS A 43 -0.029 -6.118 10.613 1.00 0.00 N ATOM 0 H HIS A 43 -1.419 -7.314 5.783 1.00 0.00 H new ATOM 0 HA HIS A 43 1.067 -7.595 7.187 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.769 -8.321 7.496 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.720 -9.596 8.083 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.332 -5.626 8.491 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.102 -7.467 12.265 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.144 -5.213 11.049 1.00 0.00 H new ATOM 662 N ARG A 44 0.518 -9.812 4.968 1.00 0.00 N ATOM 663 CA ARG A 44 1.052 -11.066 4.364 1.00 0.00 C ATOM 664 C ARG A 44 2.238 -10.739 3.451 1.00 0.00 C ATOM 665 O ARG A 44 3.287 -11.344 3.539 1.00 0.00 O ATOM 666 CB ARG A 44 -0.048 -11.744 3.547 1.00 0.00 C ATOM 667 CG ARG A 44 0.305 -13.219 3.341 1.00 0.00 C ATOM 668 CD ARG A 44 -0.306 -13.711 2.028 1.00 0.00 C ATOM 669 NE ARG A 44 0.271 -15.039 1.680 1.00 0.00 N ATOM 670 CZ ARG A 44 -0.334 -15.806 0.815 1.00 0.00 C ATOM 671 NH1 ARG A 44 -0.855 -15.287 -0.263 1.00 0.00 N ATOM 672 NH2 ARG A 44 -0.417 -17.091 1.026 1.00 0.00 N ATOM 0 H ARG A 44 -0.094 -9.264 4.363 1.00 0.00 H new ATOM 0 HA ARG A 44 1.384 -11.735 5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.005 -11.656 4.062 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.158 -11.247 2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.387 -13.345 3.321 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.070 -13.813 4.174 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.389 -13.787 2.124 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.106 -12.995 1.231 1.00 0.00 H new ATOM 0 HE ARG A 44 1.139 -15.349 2.118 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.789 -14.283 -0.429 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.328 -15.886 -0.940 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.009 -17.497 1.868 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.890 -17.689 0.349 1.00 0.00 H new ATOM 686 N ILE A 45 2.077 -9.789 2.569 1.00 0.00 N ATOM 687 CA ILE A 45 3.191 -9.427 1.646 1.00 0.00 C ATOM 688 C ILE A 45 4.415 -8.984 2.455 1.00 0.00 C ATOM 689 O ILE A 45 5.538 -9.311 2.126 1.00 0.00 O ATOM 690 CB ILE A 45 2.740 -8.284 0.734 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.752 -8.820 -0.305 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.953 -7.685 0.019 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.909 -7.667 -0.854 1.00 0.00 C ATOM 0 H ILE A 45 1.221 -9.248 2.448 1.00 0.00 H new ATOM 0 HA ILE A 45 3.457 -10.295 1.043 1.00 0.00 H new ATOM 0 HB ILE A 45 2.257 -7.513 1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.291 -9.308 -1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.106 -9.573 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.628 -6.871 -0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.658 -7.301 0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.439 -8.455 -0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.206 -8.050 -1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.358 -7.199 -0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.562 -6.930 -1.322 1.00 0.00 H new ATOM 705 N ARG A 46 4.208 -8.235 3.503 1.00 0.00 N ATOM 706 CA ARG A 46 5.363 -7.764 4.322 1.00 0.00 C ATOM 707 C ARG A 46 5.868 -8.898 5.220 1.00 0.00 C ATOM 708 O ARG A 46 6.927 -8.807 5.808 1.00 0.00 O ATOM 709 CB ARG A 46 4.922 -6.584 5.190 1.00 0.00 C ATOM 710 CG ARG A 46 5.402 -5.277 4.556 1.00 0.00 C ATOM 711 CD ARG A 46 6.230 -4.488 5.571 1.00 0.00 C ATOM 712 NE ARG A 46 7.149 -5.414 6.291 1.00 0.00 N ATOM 713 CZ ARG A 46 7.318 -5.293 7.578 1.00 0.00 C ATOM 714 NH1 ARG A 46 7.607 -4.128 8.092 1.00 0.00 N ATOM 715 NH2 ARG A 46 7.197 -6.337 8.353 1.00 0.00 N ATOM 0 H ARG A 46 3.291 -7.929 3.828 1.00 0.00 H new ATOM 0 HA ARG A 46 6.168 -7.451 3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.836 -6.576 5.287 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.332 -6.685 6.195 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.000 -5.489 3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.548 -4.684 4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.803 -3.712 5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.573 -3.986 6.281 1.00 0.00 H new ATOM 0 HE ARG A 46 7.645 -6.142 5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.701 -3.312 7.487 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.739 -4.033 9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.970 -7.247 7.951 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.329 -6.243 9.360 1.00 0.00 H new ATOM 729 N THR A 47 5.124 -9.965 5.332 1.00 0.00 N ATOM 730 CA THR A 47 5.578 -11.093 6.195 1.00 0.00 C ATOM 731 C THR A 47 5.612 -12.386 5.375 1.00 0.00 C ATOM 732 O THR A 47 5.707 -13.471 5.914 1.00 0.00 O ATOM 733 CB THR A 47 4.620 -11.249 7.386 1.00 0.00 C ATOM 734 OG1 THR A 47 5.281 -11.944 8.433 1.00 0.00 O ATOM 735 CG2 THR A 47 3.372 -12.029 6.964 1.00 0.00 C ATOM 0 H THR A 47 4.227 -10.104 4.867 1.00 0.00 H new ATOM 0 HA THR A 47 6.580 -10.884 6.570 1.00 0.00 H new ATOM 0 HB THR A 47 4.318 -10.260 7.731 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.696 -12.757 8.075 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.702 -12.132 7.817 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.861 -11.493 6.164 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.663 -13.018 6.610 1.00 0.00 H new ATOM 743 N ASP A 48 5.538 -12.279 4.076 1.00 0.00 N ATOM 744 CA ASP A 48 5.570 -13.502 3.226 1.00 0.00 C ATOM 745 C ASP A 48 5.916 -13.115 1.786 1.00 0.00 C ATOM 746 O ASP A 48 5.559 -13.800 0.848 1.00 0.00 O ATOM 747 CB ASP A 48 4.199 -14.181 3.257 1.00 0.00 C ATOM 748 CG ASP A 48 4.383 -15.695 3.394 1.00 0.00 C ATOM 749 OD1 ASP A 48 4.832 -16.306 2.437 1.00 0.00 O ATOM 750 OD2 ASP A 48 4.070 -16.217 4.452 1.00 0.00 O ATOM 0 H ASP A 48 5.457 -11.398 3.568 1.00 0.00 H new ATOM 0 HA ASP A 48 6.325 -14.190 3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.610 -13.798 4.091 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.647 -13.952 2.346 1.00 0.00 H new ATOM 755 N GLU A 49 6.608 -12.024 1.602 1.00 0.00 N ATOM 756 CA GLU A 49 6.975 -11.599 0.221 1.00 0.00 C ATOM 757 C GLU A 49 8.194 -10.677 0.274 1.00 0.00 C ATOM 758 O GLU A 49 8.984 -10.728 1.196 1.00 0.00 O ATOM 759 CB GLU A 49 5.802 -10.853 -0.414 1.00 0.00 C ATOM 760 CG GLU A 49 5.643 -11.296 -1.869 1.00 0.00 C ATOM 761 CD GLU A 49 4.977 -12.672 -1.914 1.00 0.00 C ATOM 762 OE1 GLU A 49 5.694 -13.657 -1.871 1.00 0.00 O ATOM 763 OE2 GLU A 49 3.760 -12.716 -1.988 1.00 0.00 O ATOM 0 H GLU A 49 6.935 -11.409 2.347 1.00 0.00 H new ATOM 0 HA GLU A 49 7.212 -12.480 -0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.886 -11.055 0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.973 -9.778 -0.367 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.041 -10.571 -2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.617 -11.336 -2.357 1.00 0.00 H new ATOM 770 N ASN A 50 8.355 -9.835 -0.711 1.00 0.00 N ATOM 771 CA ASN A 50 9.524 -8.911 -0.719 1.00 0.00 C ATOM 772 C ASN A 50 9.061 -7.494 -0.376 1.00 0.00 C ATOM 773 O ASN A 50 9.718 -6.522 -0.692 1.00 0.00 O ATOM 774 CB ASN A 50 10.166 -8.914 -2.108 1.00 0.00 C ATOM 775 CG ASN A 50 11.064 -10.143 -2.254 1.00 0.00 C ATOM 776 OD1 ASN A 50 11.498 -10.714 -1.273 1.00 0.00 O ATOM 777 ND2 ASN A 50 11.363 -10.579 -3.447 1.00 0.00 N ATOM 0 H ASN A 50 7.727 -9.748 -1.510 1.00 0.00 H new ATOM 0 HA ASN A 50 10.252 -9.243 0.021 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.394 -8.922 -2.877 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.750 -8.005 -2.252 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.961 -11.398 -3.556 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.999 -10.100 -4.271 1.00 0.00 H new ATOM 784 N GLY A 51 7.934 -7.368 0.270 1.00 0.00 N ATOM 785 CA GLY A 51 7.429 -6.014 0.635 1.00 0.00 C ATOM 786 C GLY A 51 7.393 -5.124 -0.610 1.00 0.00 C ATOM 787 O GLY A 51 7.443 -3.913 -0.521 1.00 0.00 O ATOM 0 H GLY A 51 7.341 -8.145 0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.431 -6.092 1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.072 -5.568 1.394 1.00 0.00 H new ATOM 791 N LEU A 52 7.307 -5.714 -1.772 1.00 0.00 N ATOM 792 CA LEU A 52 7.267 -4.899 -3.019 1.00 0.00 C ATOM 793 C LEU A 52 5.820 -4.739 -3.489 1.00 0.00 C ATOM 794 O LEU A 52 4.909 -5.328 -2.943 1.00 0.00 O ATOM 795 CB LEU A 52 8.077 -5.598 -4.113 1.00 0.00 C ATOM 796 CG LEU A 52 9.569 -5.330 -3.912 1.00 0.00 C ATOM 797 CD1 LEU A 52 10.341 -5.816 -5.140 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.805 -3.828 -3.734 1.00 0.00 C ATOM 0 H LEU A 52 7.263 -6.724 -1.911 1.00 0.00 H new ATOM 0 HA LEU A 52 7.693 -3.916 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.886 -6.671 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.764 -5.240 -5.094 1.00 0.00 H new ATOM 0 HG LEU A 52 9.913 -5.860 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.405 -5.626 -4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.178 -6.885 -5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.991 -5.283 -6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.869 -3.641 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.460 -3.298 -4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.254 -3.474 -2.863 1.00 0.00 H new ATOM 810 N CYS A 53 5.607 -3.945 -4.503 1.00 0.00 N ATOM 811 CA CYS A 53 4.224 -3.734 -5.022 1.00 0.00 C ATOM 812 C CYS A 53 3.924 -4.750 -6.130 1.00 0.00 C ATOM 813 O CYS A 53 4.603 -4.777 -7.136 1.00 0.00 O ATOM 814 CB CYS A 53 4.108 -2.318 -5.593 1.00 0.00 C ATOM 815 SG CYS A 53 2.374 -1.949 -5.951 1.00 0.00 S ATOM 0 H CYS A 53 6.336 -3.430 -4.997 1.00 0.00 H new ATOM 0 HA CYS A 53 3.511 -3.865 -4.208 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.505 -1.594 -4.881 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.704 -2.231 -6.502 1.00 0.00 H new ATOM 0 HG CYS A 53 1.631 -2.355 -4.964 1.00 0.00 H new ATOM 820 N PRO A 54 2.911 -5.554 -5.922 1.00 0.00 N ATOM 821 CA PRO A 54 2.499 -6.570 -6.902 1.00 0.00 C ATOM 822 C PRO A 54 1.639 -5.929 -7.998 1.00 0.00 C ATOM 823 O PRO A 54 1.269 -6.571 -8.961 1.00 0.00 O ATOM 824 CB PRO A 54 1.666 -7.550 -6.072 1.00 0.00 C ATOM 825 CG PRO A 54 1.169 -6.764 -4.835 1.00 0.00 C ATOM 826 CD PRO A 54 2.090 -5.535 -4.693 1.00 0.00 C ATOM 0 HA PRO A 54 3.340 -7.048 -7.405 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.826 -7.933 -6.652 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.264 -8.410 -5.771 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.131 -6.457 -4.963 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.210 -7.384 -3.940 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.514 -4.613 -4.613 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.710 -5.603 -3.799 1.00 0.00 H new ATOM 834 N ALA A 55 1.302 -4.673 -7.850 1.00 0.00 N ATOM 835 CA ALA A 55 0.450 -4.007 -8.877 1.00 0.00 C ATOM 836 C ALA A 55 1.297 -3.114 -9.792 1.00 0.00 C ATOM 837 O ALA A 55 0.964 -2.912 -10.943 1.00 0.00 O ATOM 838 CB ALA A 55 -0.614 -3.154 -8.181 1.00 0.00 C ATOM 0 H ALA A 55 1.579 -4.083 -7.065 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.026 -4.777 -9.484 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.237 -2.667 -8.931 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.235 -3.790 -7.551 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.128 -2.397 -7.566 1.00 0.00 H new ATOM 844 N CYS A 56 2.378 -2.565 -9.305 1.00 0.00 N ATOM 845 CA CYS A 56 3.204 -1.683 -10.181 1.00 0.00 C ATOM 846 C CYS A 56 4.699 -1.956 -9.963 1.00 0.00 C ATOM 847 O CYS A 56 5.547 -1.292 -10.525 1.00 0.00 O ATOM 848 CB CYS A 56 2.870 -0.210 -9.878 1.00 0.00 C ATOM 849 SG CYS A 56 3.884 0.417 -8.509 1.00 0.00 S ATOM 0 H CYS A 56 2.722 -2.686 -8.352 1.00 0.00 H new ATOM 0 HA CYS A 56 2.974 -1.894 -11.225 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.039 0.396 -10.768 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.814 -0.117 -9.625 1.00 0.00 H new ATOM 0 HG CYS A 56 3.573 -0.213 -7.415 1.00 0.00 H new ATOM 854 N ARG A 57 5.030 -2.923 -9.153 1.00 0.00 N ATOM 855 CA ARG A 57 6.470 -3.228 -8.907 1.00 0.00 C ATOM 856 C ARG A 57 7.159 -2.005 -8.292 1.00 0.00 C ATOM 857 O ARG A 57 7.802 -1.235 -8.976 1.00 0.00 O ATOM 858 CB ARG A 57 7.154 -3.576 -10.231 1.00 0.00 C ATOM 859 CG ARG A 57 6.643 -4.928 -10.731 1.00 0.00 C ATOM 860 CD ARG A 57 7.648 -5.515 -11.725 1.00 0.00 C ATOM 861 NE ARG A 57 6.993 -6.595 -12.513 1.00 0.00 N ATOM 862 CZ ARG A 57 6.188 -7.435 -11.924 1.00 0.00 C ATOM 863 NH1 ARG A 57 4.916 -7.434 -12.216 1.00 0.00 N ATOM 864 NH2 ARG A 57 6.654 -8.278 -11.043 1.00 0.00 N ATOM 0 H ARG A 57 4.368 -3.515 -8.651 1.00 0.00 H new ATOM 0 HA ARG A 57 6.545 -4.073 -8.222 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.951 -2.802 -10.972 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.235 -3.612 -10.095 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.504 -5.610 -9.892 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.670 -4.808 -11.208 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.014 -4.735 -12.392 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.513 -5.912 -11.193 1.00 0.00 H new ATOM 0 HE ARG A 57 7.174 -6.678 -13.513 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.551 -6.776 -12.905 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.286 -8.091 -11.755 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.648 -8.280 -10.815 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.024 -8.935 -10.583 1.00 0.00 H new ATOM 878 N LYS A 58 7.034 -1.827 -7.006 1.00 0.00 N ATOM 879 CA LYS A 58 7.684 -0.662 -6.344 1.00 0.00 C ATOM 880 C LYS A 58 7.841 -0.963 -4.851 1.00 0.00 C ATOM 881 O LYS A 58 7.038 -1.666 -4.276 1.00 0.00 O ATOM 882 CB LYS A 58 6.820 0.588 -6.533 1.00 0.00 C ATOM 883 CG LYS A 58 7.546 1.571 -7.455 1.00 0.00 C ATOM 884 CD LYS A 58 6.736 2.864 -7.571 1.00 0.00 C ATOM 885 CE LYS A 58 6.989 3.738 -6.341 1.00 0.00 C ATOM 886 NZ LYS A 58 7.390 5.105 -6.777 1.00 0.00 N ATOM 0 H LYS A 58 6.508 -2.440 -6.383 1.00 0.00 H new ATOM 0 HA LYS A 58 8.664 -0.485 -6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.855 0.316 -6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.621 1.056 -5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.540 1.787 -7.062 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.683 1.127 -8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.018 3.402 -8.476 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.674 2.634 -7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.090 3.790 -5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.772 3.297 -5.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.562 5.699 -5.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.259 5.047 -7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.629 5.524 -7.349 1.00 0.00 H new ATOM 900 N PRO A 59 8.877 -0.426 -4.268 1.00 0.00 N ATOM 901 CA PRO A 59 9.170 -0.632 -2.839 1.00 0.00 C ATOM 902 C PRO A 59 8.213 0.183 -1.966 1.00 0.00 C ATOM 903 O PRO A 59 8.139 1.391 -2.066 1.00 0.00 O ATOM 904 CB PRO A 59 10.613 -0.142 -2.694 1.00 0.00 C ATOM 905 CG PRO A 59 10.871 0.812 -3.884 1.00 0.00 C ATOM 906 CD PRO A 59 9.843 0.444 -4.970 1.00 0.00 C ATOM 0 HA PRO A 59 9.046 -1.667 -2.521 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.754 0.374 -1.744 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.311 -0.979 -2.709 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.758 1.852 -3.579 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.888 0.699 -4.259 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.358 1.331 -5.378 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.313 -0.075 -5.805 1.00 0.00 H new ATOM 914 N TYR A 60 7.476 -0.474 -1.109 1.00 0.00 N ATOM 915 CA TYR A 60 6.518 0.257 -0.230 1.00 0.00 C ATOM 916 C TYR A 60 7.228 1.435 0.445 1.00 0.00 C ATOM 917 O TYR A 60 8.408 1.367 0.724 1.00 0.00 O ATOM 918 CB TYR A 60 5.984 -0.692 0.849 1.00 0.00 C ATOM 919 CG TYR A 60 5.225 -1.839 0.215 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.883 -1.799 -1.144 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.858 -2.942 0.994 1.00 0.00 C ATOM 922 CE1 TYR A 60 4.176 -2.859 -1.719 1.00 0.00 C ATOM 923 CE2 TYR A 60 4.153 -4.004 0.418 1.00 0.00 C ATOM 924 CZ TYR A 60 3.811 -3.962 -0.939 1.00 0.00 C ATOM 925 OH TYR A 60 3.112 -5.010 -1.505 1.00 0.00 O ATOM 0 H TYR A 60 7.497 -1.486 -0.980 1.00 0.00 H new ATOM 0 HA TYR A 60 5.691 0.628 -0.836 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.812 -1.080 1.443 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.330 -0.147 1.530 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.166 -0.949 -1.747 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.119 -2.973 2.041 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.911 -2.827 -2.766 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.873 -4.856 1.020 1.00 0.00 H new ATOM 0 HH TYR A 60 3.681 -5.468 -2.158 1.00 0.00 H new ATOM 935 N PRO A 61 6.480 2.484 0.691 1.00 0.00 N ATOM 936 CA PRO A 61 7.006 3.699 1.338 1.00 0.00 C ATOM 937 C PRO A 61 7.095 3.501 2.856 1.00 0.00 C ATOM 938 O PRO A 61 6.168 3.796 3.583 1.00 0.00 O ATOM 939 CB PRO A 61 5.967 4.768 0.994 1.00 0.00 C ATOM 940 CG PRO A 61 4.653 4.015 0.675 1.00 0.00 C ATOM 941 CD PRO A 61 5.043 2.562 0.342 1.00 0.00 C ATOM 0 HA PRO A 61 8.010 3.961 1.003 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.827 5.456 1.828 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.290 5.363 0.140 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.972 4.047 1.526 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.136 4.479 -0.165 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.454 1.849 0.919 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.876 2.336 -0.711 1.00 0.00 H new