USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 CYS SG : rot -129:sc= 0.0984 USER MOD Set 1.2: A 33 CYS SG : rot -139:sc= 0.615 USER MOD Set 1.3: A 53 CYS SG : rot 31:sc= 1.17 USER MOD Set 1.4: A 56 CYS SG : rot -74:sc= -2.19 USER MOD Set 2.1: A 14 CYS SG : rot -1:sc= -0.246 USER MOD Set 2.2: A 17 CYS SG : rot -63:sc= 0.528 USER MOD Set 2.3: A 38 CYS SG : rot -133:sc= 0.966 USER MOD Set 2.4: A 41 CYS SG : rot 147:sc= -3.81! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0742 K(o=-0.074,f=-1) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 35 TYR OH : rot 52:sc= -0.656 USER MOD Single : A 36 GLN : amide:sc= -6.54! C(o=-6.5!,f=-6.8!) USER MOD Single : A 43 HIS : no HD1:sc= -0.564 X(o=-0.56,f=-0.12) USER MOD Single : A 47 THR OG1 : rot 115:sc= 0.882 USER MOD Single : A 50 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 63:sc= -5.96! USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -15.368 1.223 0.050 1.00 0.00 N ATOM 166 CA VAL A 12 -14.324 0.615 -0.822 1.00 0.00 C ATOM 167 C VAL A 12 -14.178 -0.866 -0.465 1.00 0.00 C ATOM 168 O VAL A 12 -14.428 -1.270 0.653 1.00 0.00 O ATOM 169 CB VAL A 12 -12.990 1.329 -0.602 1.00 0.00 C ATOM 170 CG1 VAL A 12 -12.010 0.930 -1.707 1.00 0.00 C ATOM 171 CG2 VAL A 12 -13.210 2.844 -0.642 1.00 0.00 C ATOM 0 HA VAL A 12 -14.614 0.716 -1.868 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.582 1.045 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.059 1.439 -1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.853 -0.148 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.419 1.215 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.259 3.354 -0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.618 3.127 -1.612 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.909 3.131 0.143 1.00 0.00 H new ATOM 181 N GLU A 13 -13.784 -1.682 -1.404 1.00 0.00 N ATOM 182 CA GLU A 13 -13.635 -3.135 -1.107 1.00 0.00 C ATOM 183 C GLU A 13 -12.231 -3.605 -1.493 1.00 0.00 C ATOM 184 O GLU A 13 -11.808 -3.464 -2.623 1.00 0.00 O ATOM 185 CB GLU A 13 -14.667 -3.926 -1.913 1.00 0.00 C ATOM 186 CG GLU A 13 -15.769 -4.430 -0.980 1.00 0.00 C ATOM 187 CD GLU A 13 -16.217 -5.823 -1.428 1.00 0.00 C ATOM 188 OE1 GLU A 13 -15.620 -6.788 -0.978 1.00 0.00 O ATOM 189 OE2 GLU A 13 -17.148 -5.902 -2.212 1.00 0.00 O ATOM 0 H GLU A 13 -13.560 -1.407 -2.360 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.791 -3.299 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.096 -3.296 -2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.186 -4.767 -2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.403 -4.466 0.046 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.615 -3.742 -0.993 1.00 0.00 H new ATOM 196 N CYS A 14 -11.509 -4.174 -0.567 1.00 0.00 N ATOM 197 CA CYS A 14 -10.141 -4.663 -0.892 1.00 0.00 C ATOM 198 C CYS A 14 -10.206 -5.500 -2.175 1.00 0.00 C ATOM 199 O CYS A 14 -10.797 -6.560 -2.183 1.00 0.00 O ATOM 200 CB CYS A 14 -9.626 -5.537 0.258 1.00 0.00 C ATOM 201 SG CYS A 14 -7.867 -5.894 0.006 1.00 0.00 S ATOM 0 H CYS A 14 -11.807 -4.321 0.397 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.469 -3.817 -1.033 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.772 -5.027 1.210 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.193 -6.466 0.305 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.467 -5.343 -1.102 1.00 0.00 H new ATOM 206 N PRO A 15 -9.600 -5.004 -3.226 1.00 0.00 N ATOM 207 CA PRO A 15 -9.579 -5.700 -4.524 1.00 0.00 C ATOM 208 C PRO A 15 -8.538 -6.826 -4.506 1.00 0.00 C ATOM 209 O PRO A 15 -8.250 -7.435 -5.518 1.00 0.00 O ATOM 210 CB PRO A 15 -9.181 -4.602 -5.514 1.00 0.00 C ATOM 211 CG PRO A 15 -8.452 -3.515 -4.688 1.00 0.00 C ATOM 212 CD PRO A 15 -8.885 -3.711 -3.223 1.00 0.00 C ATOM 0 HA PRO A 15 -10.530 -6.168 -4.777 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.531 -4.999 -6.294 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.059 -4.189 -6.010 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.371 -3.612 -4.789 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.717 -2.518 -5.040 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.025 -3.733 -2.553 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.531 -2.900 -2.887 1.00 0.00 H new ATOM 220 N LEU A 16 -7.970 -7.102 -3.363 1.00 0.00 N ATOM 221 CA LEU A 16 -6.945 -8.180 -3.273 1.00 0.00 C ATOM 222 C LEU A 16 -7.563 -9.427 -2.637 1.00 0.00 C ATOM 223 O LEU A 16 -7.331 -10.538 -3.069 1.00 0.00 O ATOM 224 CB LEU A 16 -5.788 -7.693 -2.399 1.00 0.00 C ATOM 225 CG LEU A 16 -4.643 -7.194 -3.280 1.00 0.00 C ATOM 226 CD1 LEU A 16 -3.897 -8.388 -3.874 1.00 0.00 C ATOM 227 CD2 LEU A 16 -5.199 -6.324 -4.413 1.00 0.00 C ATOM 0 H LEU A 16 -8.173 -6.625 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.584 -8.424 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.129 -6.892 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.439 -8.503 -1.759 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.958 -6.601 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.081 -8.031 -4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.494 -9.002 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.584 -8.984 -4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.378 -5.971 -5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.889 -6.912 -5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.726 -5.469 -3.990 1.00 0.00 H new ATOM 239 N CYS A 17 -8.346 -9.250 -1.608 1.00 0.00 N ATOM 240 CA CYS A 17 -8.976 -10.425 -0.937 1.00 0.00 C ATOM 241 C CYS A 17 -10.495 -10.265 -0.956 1.00 0.00 C ATOM 242 O CYS A 17 -11.231 -11.227 -0.864 1.00 0.00 O ATOM 243 CB CYS A 17 -8.493 -10.506 0.512 1.00 0.00 C ATOM 244 SG CYS A 17 -9.190 -9.128 1.459 1.00 0.00 S ATOM 0 H CYS A 17 -8.577 -8.343 -1.202 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.697 -11.337 -1.465 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.795 -11.455 0.955 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.404 -10.471 0.546 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.748 -8.004 0.979 1.00 0.00 H new ATOM 249 N MET A 18 -10.958 -9.049 -1.072 1.00 0.00 N ATOM 250 CA MET A 18 -12.422 -8.783 -1.101 1.00 0.00 C ATOM 251 C MET A 18 -12.961 -8.677 0.329 1.00 0.00 C ATOM 252 O MET A 18 -13.310 -9.663 0.947 1.00 0.00 O ATOM 253 CB MET A 18 -13.146 -9.912 -1.840 1.00 0.00 C ATOM 254 CG MET A 18 -14.374 -9.349 -2.557 1.00 0.00 C ATOM 255 SD MET A 18 -15.013 -10.583 -3.717 1.00 0.00 S ATOM 256 CE MET A 18 -16.109 -9.477 -4.637 1.00 0.00 C ATOM 0 H MET A 18 -10.373 -8.217 -1.149 1.00 0.00 H new ATOM 0 HA MET A 18 -12.599 -7.843 -1.623 1.00 0.00 H new ATOM 0 HB2 MET A 18 -12.474 -10.379 -2.560 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.447 -10.687 -1.136 1.00 0.00 H new ATOM 0 HG2 MET A 18 -15.143 -9.084 -1.831 1.00 0.00 H new ATOM 0 HG3 MET A 18 -14.110 -8.435 -3.090 1.00 0.00 H new ATOM 0 HE1 MET A 18 -16.618 -10.038 -5.421 1.00 0.00 H new ATOM 0 HE2 MET A 18 -16.848 -9.050 -3.959 1.00 0.00 H new ATOM 0 HE3 MET A 18 -15.523 -8.675 -5.087 1.00 0.00 H new ATOM 266 N GLU A 19 -13.034 -7.483 0.855 1.00 0.00 N ATOM 267 CA GLU A 19 -13.553 -7.303 2.241 1.00 0.00 C ATOM 268 C GLU A 19 -13.950 -5.836 2.443 1.00 0.00 C ATOM 269 O GLU A 19 -13.712 -5.010 1.585 1.00 0.00 O ATOM 270 CB GLU A 19 -12.467 -7.684 3.251 1.00 0.00 C ATOM 271 CG GLU A 19 -12.943 -8.873 4.088 1.00 0.00 C ATOM 272 CD GLU A 19 -12.163 -8.916 5.403 1.00 0.00 C ATOM 273 OE1 GLU A 19 -10.970 -8.664 5.370 1.00 0.00 O ATOM 274 OE2 GLU A 19 -12.773 -9.199 6.422 1.00 0.00 O ATOM 0 H GLU A 19 -12.756 -6.623 0.383 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.423 -7.943 2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.544 -7.939 2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.244 -6.836 3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.011 -8.786 4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.797 -9.802 3.536 1.00 0.00 H new ATOM 281 N PRO A 20 -14.548 -5.558 3.573 1.00 0.00 N ATOM 282 CA PRO A 20 -14.996 -4.198 3.921 1.00 0.00 C ATOM 283 C PRO A 20 -13.816 -3.342 4.388 1.00 0.00 C ATOM 284 O PRO A 20 -13.257 -3.559 5.445 1.00 0.00 O ATOM 285 CB PRO A 20 -15.985 -4.426 5.064 1.00 0.00 C ATOM 286 CG PRO A 20 -15.631 -5.801 5.680 1.00 0.00 C ATOM 287 CD PRO A 20 -14.835 -6.572 4.609 1.00 0.00 C ATOM 0 HA PRO A 20 -15.438 -3.668 3.077 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.906 -3.635 5.809 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.011 -4.417 4.697 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.040 -5.678 6.588 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.534 -6.345 5.958 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.917 -6.992 5.020 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.413 -7.403 4.204 1.00 0.00 H new ATOM 295 N LEU A 21 -13.438 -2.368 3.607 1.00 0.00 N ATOM 296 CA LEU A 21 -12.299 -1.493 4.001 1.00 0.00 C ATOM 297 C LEU A 21 -12.728 -0.585 5.155 1.00 0.00 C ATOM 298 O LEU A 21 -13.737 0.088 5.086 1.00 0.00 O ATOM 299 CB LEU A 21 -11.882 -0.635 2.804 1.00 0.00 C ATOM 300 CG LEU A 21 -10.844 -1.389 1.972 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.755 -0.771 0.576 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.481 -1.293 2.659 1.00 0.00 C ATOM 0 H LEU A 21 -13.870 -2.140 2.711 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.458 -2.109 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.752 -0.399 2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.468 0.313 3.149 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.139 -2.435 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.014 -1.311 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.727 -0.836 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.460 0.275 0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.738 -1.829 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.190 -0.246 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.543 -1.735 3.653 1.00 0.00 H new ATOM 314 N GLU A 22 -11.967 -0.559 6.216 1.00 0.00 N ATOM 315 CA GLU A 22 -12.331 0.308 7.373 1.00 0.00 C ATOM 316 C GLU A 22 -12.159 1.776 6.980 1.00 0.00 C ATOM 317 O GLU A 22 -11.860 2.096 5.847 1.00 0.00 O ATOM 318 CB GLU A 22 -11.415 -0.008 8.557 1.00 0.00 C ATOM 319 CG GLU A 22 -12.089 -1.033 9.471 1.00 0.00 C ATOM 320 CD GLU A 22 -12.121 -0.495 10.902 1.00 0.00 C ATOM 321 OE1 GLU A 22 -11.387 0.439 11.179 1.00 0.00 O ATOM 322 OE2 GLU A 22 -12.879 -1.026 11.697 1.00 0.00 O ATOM 0 H GLU A 22 -11.110 -1.100 6.331 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.367 0.122 7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.462 -0.397 8.198 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.198 0.903 9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.102 -1.235 9.124 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.547 -1.978 9.438 1.00 0.00 H new ATOM 329 N ILE A 23 -12.342 2.673 7.910 1.00 0.00 N ATOM 330 CA ILE A 23 -12.187 4.120 7.590 1.00 0.00 C ATOM 331 C ILE A 23 -10.702 4.438 7.391 1.00 0.00 C ATOM 332 O ILE A 23 -10.309 5.012 6.395 1.00 0.00 O ATOM 333 CB ILE A 23 -12.748 4.959 8.744 1.00 0.00 C ATOM 334 CG1 ILE A 23 -14.276 4.975 8.665 1.00 0.00 C ATOM 335 CG2 ILE A 23 -12.224 6.394 8.647 1.00 0.00 C ATOM 336 CD1 ILE A 23 -14.834 3.677 9.252 1.00 0.00 C ATOM 0 H ILE A 23 -12.592 2.466 8.877 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.732 4.356 6.676 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.431 4.522 9.691 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.669 5.832 9.212 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.595 5.084 7.629 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.626 6.985 9.470 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.135 6.388 8.703 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.536 6.832 7.699 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -15.922 3.690 9.195 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.451 2.828 8.686 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.526 3.587 10.294 1.00 0.00 H new ATOM 348 N ASP A 24 -9.876 4.074 8.333 1.00 0.00 N ATOM 349 CA ASP A 24 -8.420 4.360 8.198 1.00 0.00 C ATOM 350 C ASP A 24 -7.787 3.367 7.219 1.00 0.00 C ATOM 351 O ASP A 24 -6.597 3.395 6.976 1.00 0.00 O ATOM 352 CB ASP A 24 -7.746 4.230 9.566 1.00 0.00 C ATOM 353 CG ASP A 24 -6.685 5.322 9.718 1.00 0.00 C ATOM 354 OD1 ASP A 24 -6.585 6.150 8.828 1.00 0.00 O ATOM 355 OD2 ASP A 24 -5.991 5.311 10.721 1.00 0.00 O ATOM 0 H ASP A 24 -10.146 3.591 9.190 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.285 5.373 7.820 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.489 4.317 10.359 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.287 3.246 9.665 1.00 0.00 H new ATOM 360 N ASP A 25 -8.571 2.490 6.654 1.00 0.00 N ATOM 361 CA ASP A 25 -8.008 1.500 5.693 1.00 0.00 C ATOM 362 C ASP A 25 -8.291 1.959 4.261 1.00 0.00 C ATOM 363 O ASP A 25 -7.741 1.436 3.312 1.00 0.00 O ATOM 364 CB ASP A 25 -8.658 0.135 5.929 1.00 0.00 C ATOM 365 CG ASP A 25 -7.999 -0.542 7.132 1.00 0.00 C ATOM 366 OD1 ASP A 25 -7.573 0.168 8.027 1.00 0.00 O ATOM 367 OD2 ASP A 25 -7.933 -1.760 7.138 1.00 0.00 O ATOM 0 H ASP A 25 -9.575 2.416 6.816 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.931 1.421 5.842 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.727 0.255 6.106 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.550 -0.490 5.042 1.00 0.00 H new ATOM 372 N ILE A 26 -9.145 2.932 4.098 1.00 0.00 N ATOM 373 CA ILE A 26 -9.463 3.426 2.728 1.00 0.00 C ATOM 374 C ILE A 26 -8.169 3.817 2.012 1.00 0.00 C ATOM 375 O ILE A 26 -7.812 3.250 0.998 1.00 0.00 O ATOM 376 CB ILE A 26 -10.375 4.650 2.829 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.597 4.307 3.683 1.00 0.00 C ATOM 378 CG2 ILE A 26 -10.833 5.062 1.429 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.553 5.501 3.712 1.00 0.00 C ATOM 0 H ILE A 26 -9.637 3.407 4.855 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.966 2.639 2.166 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.828 5.472 3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -12.104 3.432 3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.286 4.053 4.696 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.483 5.934 1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.963 5.307 0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.380 4.239 0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.423 5.256 4.321 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.043 6.365 4.139 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.874 5.735 2.697 1.00 0.00 H new ATOM 391 N ASN A 27 -7.464 4.783 2.534 1.00 0.00 N ATOM 392 CA ASN A 27 -6.193 5.215 1.888 1.00 0.00 C ATOM 393 C ASN A 27 -5.027 4.428 2.488 1.00 0.00 C ATOM 394 O ASN A 27 -3.944 4.947 2.673 1.00 0.00 O ATOM 395 CB ASN A 27 -5.985 6.711 2.132 1.00 0.00 C ATOM 396 CG ASN A 27 -7.294 7.456 1.863 1.00 0.00 C ATOM 397 OD1 ASN A 27 -8.079 7.046 1.031 1.00 0.00 O ATOM 398 ND2 ASN A 27 -7.566 8.540 2.537 1.00 0.00 N ATOM 0 H ASN A 27 -7.714 5.292 3.382 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.242 5.026 0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.661 6.882 3.159 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.197 7.091 1.482 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.437 9.042 2.365 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.908 8.885 3.236 1.00 0.00 H new ATOM 405 N PHE A 28 -5.239 3.175 2.793 1.00 0.00 N ATOM 406 CA PHE A 28 -4.142 2.356 3.379 1.00 0.00 C ATOM 407 C PHE A 28 -3.531 1.474 2.290 1.00 0.00 C ATOM 408 O PHE A 28 -3.774 0.284 2.231 1.00 0.00 O ATOM 409 CB PHE A 28 -4.696 1.475 4.507 1.00 0.00 C ATOM 410 CG PHE A 28 -3.688 0.402 4.870 1.00 0.00 C ATOM 411 CD1 PHE A 28 -2.324 0.605 4.621 1.00 0.00 C ATOM 412 CD2 PHE A 28 -4.120 -0.797 5.451 1.00 0.00 C ATOM 413 CE1 PHE A 28 -1.395 -0.389 4.951 1.00 0.00 C ATOM 414 CE2 PHE A 28 -3.190 -1.791 5.781 1.00 0.00 C ATOM 415 CZ PHE A 28 -1.828 -1.587 5.530 1.00 0.00 C ATOM 0 H PHE A 28 -6.124 2.685 2.661 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.376 3.016 3.786 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.919 2.087 5.381 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.633 1.014 4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.989 1.529 4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.171 -0.955 5.645 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.344 -0.231 4.759 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.524 -2.715 6.229 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.111 -2.354 5.783 1.00 0.00 H new ATOM 425 N PHE A 29 -2.723 2.042 1.439 1.00 0.00 N ATOM 426 CA PHE A 29 -2.083 1.228 0.372 1.00 0.00 C ATOM 427 C PHE A 29 -0.596 1.086 0.689 1.00 0.00 C ATOM 428 O PHE A 29 0.017 2.004 1.198 1.00 0.00 O ATOM 429 CB PHE A 29 -2.244 1.917 -0.986 1.00 0.00 C ATOM 430 CG PHE A 29 -2.132 3.412 -0.813 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.898 3.996 -0.486 1.00 0.00 C ATOM 432 CD2 PHE A 29 -3.267 4.215 -0.973 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.807 5.384 -0.319 1.00 0.00 C ATOM 434 CE2 PHE A 29 -3.174 5.601 -0.808 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.945 6.186 -0.479 1.00 0.00 C ATOM 0 H PHE A 29 -2.479 3.032 1.437 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.558 0.248 0.330 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.480 1.563 -1.677 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.210 1.663 -1.422 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.021 3.377 -0.364 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.216 3.764 -1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.141 5.836 -0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.050 6.220 -0.934 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.874 7.256 -0.349 1.00 0.00 H new ATOM 445 N PRO A 30 -0.053 -0.055 0.371 1.00 0.00 N ATOM 446 CA PRO A 30 1.367 -0.335 0.602 1.00 0.00 C ATOM 447 C PRO A 30 2.203 0.341 -0.485 1.00 0.00 C ATOM 448 O PRO A 30 3.413 0.282 -0.478 1.00 0.00 O ATOM 449 CB PRO A 30 1.455 -1.859 0.509 1.00 0.00 C ATOM 450 CG PRO A 30 0.223 -2.318 -0.308 1.00 0.00 C ATOM 451 CD PRO A 30 -0.800 -1.169 -0.246 1.00 0.00 C ATOM 0 HA PRO A 30 1.741 0.038 1.556 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.381 -2.166 0.022 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.453 -2.310 1.502 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.501 -2.534 -1.340 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.198 -3.234 0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.163 -0.904 -1.239 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.671 -1.443 0.349 1.00 0.00 H new ATOM 459 N CYS A 31 1.558 0.992 -1.416 1.00 0.00 N ATOM 460 CA CYS A 31 2.304 1.682 -2.501 1.00 0.00 C ATOM 461 C CYS A 31 1.548 2.950 -2.901 1.00 0.00 C ATOM 462 O CYS A 31 0.352 3.054 -2.714 1.00 0.00 O ATOM 463 CB CYS A 31 2.424 0.752 -3.706 1.00 0.00 C ATOM 464 SG CYS A 31 3.408 1.560 -4.989 1.00 0.00 S ATOM 0 H CYS A 31 0.543 1.074 -1.469 1.00 0.00 H new ATOM 0 HA CYS A 31 3.302 1.948 -2.152 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.892 -0.187 -3.410 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.434 0.507 -4.091 1.00 0.00 H new ATOM 0 HG CYS A 31 2.769 1.513 -6.120 1.00 0.00 H new ATOM 469 N THR A 32 2.234 3.923 -3.435 1.00 0.00 N ATOM 470 CA THR A 32 1.550 5.188 -3.828 1.00 0.00 C ATOM 471 C THR A 32 1.060 5.106 -5.278 1.00 0.00 C ATOM 472 O THR A 32 0.654 6.096 -5.854 1.00 0.00 O ATOM 473 CB THR A 32 2.528 6.356 -3.689 1.00 0.00 C ATOM 474 OG1 THR A 32 3.748 6.030 -4.339 1.00 0.00 O ATOM 475 CG2 THR A 32 2.794 6.628 -2.207 1.00 0.00 C ATOM 0 H THR A 32 3.237 3.897 -3.616 1.00 0.00 H new ATOM 0 HA THR A 32 0.691 5.341 -3.175 1.00 0.00 H new ATOM 0 HB THR A 32 2.098 7.246 -4.148 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.375 6.778 -4.252 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.491 7.460 -2.109 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.857 6.879 -1.709 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.224 5.739 -1.745 1.00 0.00 H new ATOM 483 N CYS A 33 1.087 3.947 -5.878 1.00 0.00 N ATOM 484 CA CYS A 33 0.612 3.843 -7.288 1.00 0.00 C ATOM 485 C CYS A 33 -0.882 3.503 -7.304 1.00 0.00 C ATOM 486 O CYS A 33 -1.475 3.315 -8.348 1.00 0.00 O ATOM 487 CB CYS A 33 1.411 2.764 -8.035 1.00 0.00 C ATOM 488 SG CYS A 33 0.809 1.112 -7.597 1.00 0.00 S ATOM 0 H CYS A 33 1.414 3.076 -5.459 1.00 0.00 H new ATOM 0 HA CYS A 33 0.765 4.799 -7.790 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.322 2.917 -9.111 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.469 2.850 -7.787 1.00 0.00 H new ATOM 0 HG CYS A 33 1.819 0.305 -7.460 1.00 0.00 H new ATOM 493 N GLY A 34 -1.497 3.428 -6.155 1.00 0.00 N ATOM 494 CA GLY A 34 -2.951 3.109 -6.107 1.00 0.00 C ATOM 495 C GLY A 34 -3.151 1.672 -5.626 1.00 0.00 C ATOM 496 O GLY A 34 -4.048 1.396 -4.858 1.00 0.00 O ATOM 0 H GLY A 34 -1.055 3.574 -5.248 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.462 3.801 -5.437 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.393 3.236 -7.095 1.00 0.00 H new ATOM 500 N TYR A 35 -2.325 0.757 -6.066 1.00 0.00 N ATOM 501 CA TYR A 35 -2.479 -0.658 -5.616 1.00 0.00 C ATOM 502 C TYR A 35 -2.675 -0.669 -4.102 1.00 0.00 C ATOM 503 O TYR A 35 -1.727 -0.667 -3.343 1.00 0.00 O ATOM 504 CB TYR A 35 -1.221 -1.455 -5.979 1.00 0.00 C ATOM 505 CG TYR A 35 -1.236 -2.788 -5.266 1.00 0.00 C ATOM 506 CD1 TYR A 35 -2.145 -3.781 -5.653 1.00 0.00 C ATOM 507 CD2 TYR A 35 -0.340 -3.031 -4.218 1.00 0.00 C ATOM 508 CE1 TYR A 35 -2.157 -5.015 -4.992 1.00 0.00 C ATOM 509 CE2 TYR A 35 -0.352 -4.266 -3.557 1.00 0.00 C ATOM 510 CZ TYR A 35 -1.261 -5.257 -3.944 1.00 0.00 C ATOM 511 OH TYR A 35 -1.273 -6.473 -3.292 1.00 0.00 O ATOM 0 H TYR A 35 -1.555 0.928 -6.713 1.00 0.00 H new ATOM 0 HA TYR A 35 -3.339 -1.113 -6.106 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.176 -1.609 -7.057 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -0.330 -0.893 -5.700 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.837 -3.595 -6.461 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.361 -2.266 -3.919 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.858 -5.781 -5.291 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.340 -4.453 -2.749 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.214 -7.197 -3.949 1.00 0.00 H new ATOM 521 N GLN A 36 -3.900 -0.656 -3.656 1.00 0.00 N ATOM 522 CA GLN A 36 -4.157 -0.640 -2.193 1.00 0.00 C ATOM 523 C GLN A 36 -4.679 -1.999 -1.735 1.00 0.00 C ATOM 524 O GLN A 36 -5.358 -2.697 -2.463 1.00 0.00 O ATOM 525 CB GLN A 36 -5.198 0.435 -1.877 1.00 0.00 C ATOM 526 CG GLN A 36 -5.386 0.534 -0.363 1.00 0.00 C ATOM 527 CD GLN A 36 -6.765 1.120 -0.055 1.00 0.00 C ATOM 528 OE1 GLN A 36 -7.291 0.932 1.024 1.00 0.00 O ATOM 529 NE2 GLN A 36 -7.377 1.830 -0.964 1.00 0.00 N ATOM 0 H GLN A 36 -4.734 -0.656 -4.244 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.226 -0.423 -1.669 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.877 1.396 -2.278 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.146 0.191 -2.357 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.289 -0.452 0.091 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.608 1.162 0.070 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.936 1.988 -1.870 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.296 2.226 -0.768 1.00 0.00 H new ATOM 538 N ILE A 37 -4.372 -2.370 -0.526 1.00 0.00 N ATOM 539 CA ILE A 37 -4.849 -3.673 0.005 1.00 0.00 C ATOM 540 C ILE A 37 -5.367 -3.463 1.427 1.00 0.00 C ATOM 541 O ILE A 37 -5.258 -2.387 1.982 1.00 0.00 O ATOM 542 CB ILE A 37 -3.693 -4.675 0.018 1.00 0.00 C ATOM 543 CG1 ILE A 37 -2.582 -4.165 0.939 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.144 -4.833 -1.400 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.373 -5.099 0.845 1.00 0.00 C ATOM 0 H ILE A 37 -3.806 -1.822 0.122 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.648 -4.063 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.051 -5.638 0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.296 -3.152 0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.940 -4.118 1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.320 -5.547 -1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.934 -5.196 -2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.786 -3.869 -1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.581 -4.736 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.665 -6.104 1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.011 -5.123 -0.183 1.00 0.00 H new ATOM 557 N CYS A 38 -5.927 -4.474 2.025 1.00 0.00 N ATOM 558 CA CYS A 38 -6.443 -4.317 3.410 1.00 0.00 C ATOM 559 C CYS A 38 -5.328 -4.672 4.395 1.00 0.00 C ATOM 560 O CYS A 38 -4.163 -4.667 4.049 1.00 0.00 O ATOM 561 CB CYS A 38 -7.644 -5.243 3.615 1.00 0.00 C ATOM 562 SG CYS A 38 -7.091 -6.965 3.615 1.00 0.00 S ATOM 0 H CYS A 38 -6.050 -5.400 1.616 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.761 -3.288 3.578 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.139 -5.010 4.558 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.376 -5.086 2.823 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.866 -7.670 2.844 1.00 0.00 H new ATOM 567 N ARG A 39 -5.662 -4.976 5.618 1.00 0.00 N ATOM 568 CA ARG A 39 -4.601 -5.324 6.604 1.00 0.00 C ATOM 569 C ARG A 39 -4.244 -6.806 6.469 1.00 0.00 C ATOM 570 O ARG A 39 -3.121 -7.206 6.705 1.00 0.00 O ATOM 571 CB ARG A 39 -5.100 -5.039 8.022 1.00 0.00 C ATOM 572 CG ARG A 39 -4.231 -3.948 8.653 1.00 0.00 C ATOM 573 CD ARG A 39 -4.980 -2.616 8.628 1.00 0.00 C ATOM 574 NE ARG A 39 -4.100 -1.541 9.166 1.00 0.00 N ATOM 575 CZ ARG A 39 -3.687 -0.582 8.384 1.00 0.00 C ATOM 576 NH1 ARG A 39 -2.436 -0.535 8.014 1.00 0.00 N ATOM 577 NH2 ARG A 39 -4.524 0.331 7.971 1.00 0.00 N ATOM 0 H ARG A 39 -6.617 -4.999 5.976 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.715 -4.720 6.410 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.142 -4.721 7.996 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.059 -5.947 8.624 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.981 -4.217 9.679 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.291 -3.858 8.109 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.283 -2.376 7.609 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.890 -2.687 9.223 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.820 -1.555 10.147 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.782 -1.248 8.336 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.113 0.215 7.403 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.502 0.295 8.260 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.200 1.081 7.360 1.00 0.00 H new ATOM 591 N PHE A 40 -5.186 -7.624 6.086 1.00 0.00 N ATOM 592 CA PHE A 40 -4.891 -9.077 5.931 1.00 0.00 C ATOM 593 C PHE A 40 -4.119 -9.300 4.628 1.00 0.00 C ATOM 594 O PHE A 40 -3.478 -10.315 4.439 1.00 0.00 O ATOM 595 CB PHE A 40 -6.204 -9.863 5.891 1.00 0.00 C ATOM 596 CG PHE A 40 -6.619 -10.220 7.298 1.00 0.00 C ATOM 597 CD1 PHE A 40 -6.796 -9.211 8.251 1.00 0.00 C ATOM 598 CD2 PHE A 40 -6.825 -11.559 7.649 1.00 0.00 C ATOM 599 CE1 PHE A 40 -7.180 -9.540 9.556 1.00 0.00 C ATOM 600 CE2 PHE A 40 -7.209 -11.889 8.954 1.00 0.00 C ATOM 601 CZ PHE A 40 -7.387 -10.879 9.907 1.00 0.00 C ATOM 0 H PHE A 40 -6.145 -7.350 5.874 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.291 -9.421 6.773 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.981 -9.269 5.411 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.081 -10.768 5.296 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.636 -8.178 7.979 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.688 -12.338 6.913 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.317 -8.761 10.292 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.368 -12.922 9.226 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.684 -11.133 10.914 1.00 0.00 H new ATOM 611 N CYS A 41 -4.173 -8.353 3.731 1.00 0.00 N ATOM 612 CA CYS A 41 -3.442 -8.497 2.441 1.00 0.00 C ATOM 613 C CYS A 41 -2.040 -7.901 2.587 1.00 0.00 C ATOM 614 O CYS A 41 -1.093 -8.349 1.970 1.00 0.00 O ATOM 615 CB CYS A 41 -4.204 -7.751 1.339 1.00 0.00 C ATOM 616 SG CYS A 41 -5.557 -8.787 0.727 1.00 0.00 S ATOM 0 H CYS A 41 -4.694 -7.483 3.837 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.364 -9.552 2.178 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.599 -6.812 1.728 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.528 -7.499 0.522 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.559 -8.034 0.382 1.00 0.00 H new ATOM 621 N TRP A 42 -1.905 -6.890 3.400 1.00 0.00 N ATOM 622 CA TRP A 42 -0.574 -6.251 3.594 1.00 0.00 C ATOM 623 C TRP A 42 0.203 -6.998 4.681 1.00 0.00 C ATOM 624 O TRP A 42 1.417 -6.964 4.724 1.00 0.00 O ATOM 625 CB TRP A 42 -0.776 -4.795 4.016 1.00 0.00 C ATOM 626 CG TRP A 42 0.546 -4.158 4.300 1.00 0.00 C ATOM 627 CD1 TRP A 42 1.460 -3.812 3.364 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.114 -3.779 5.587 1.00 0.00 C ATOM 629 NE1 TRP A 42 2.550 -3.238 3.995 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.385 -3.198 5.366 1.00 0.00 C ATOM 631 CE3 TRP A 42 0.652 -3.881 6.912 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.170 -2.734 6.422 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.440 -3.416 7.977 1.00 0.00 C ATOM 634 CH2 TRP A 42 2.696 -2.843 7.733 1.00 0.00 C ATOM 0 H TRP A 42 -2.664 -6.477 3.941 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.010 -6.289 2.662 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.291 -4.247 3.227 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.409 -4.749 4.902 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.356 -3.960 2.299 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.374 -2.887 3.507 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.315 -4.320 7.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.137 -2.294 6.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.076 -3.500 8.990 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.297 -2.486 8.557 1.00 0.00 H new ATOM 645 N HIS A 43 -0.485 -7.672 5.562 1.00 0.00 N ATOM 646 CA HIS A 43 0.221 -8.417 6.642 1.00 0.00 C ATOM 647 C HIS A 43 0.897 -9.656 6.051 1.00 0.00 C ATOM 648 O HIS A 43 1.636 -10.349 6.722 1.00 0.00 O ATOM 649 CB HIS A 43 -0.784 -8.843 7.714 1.00 0.00 C ATOM 650 CG HIS A 43 -0.750 -7.860 8.851 1.00 0.00 C ATOM 651 ND1 HIS A 43 -1.347 -8.122 10.074 1.00 0.00 N ATOM 652 CD2 HIS A 43 -0.192 -6.611 8.967 1.00 0.00 C ATOM 653 CE1 HIS A 43 -1.137 -7.055 10.865 1.00 0.00 C ATOM 654 NE2 HIS A 43 -0.438 -6.104 10.239 1.00 0.00 N ATOM 0 H HIS A 43 -1.503 -7.739 5.580 1.00 0.00 H new ATOM 0 HA HIS A 43 0.976 -7.772 7.092 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.787 -8.890 7.290 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.544 -9.843 8.076 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.355 -6.100 8.189 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.490 -6.976 11.883 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.147 -5.201 10.613 1.00 0.00 H new ATOM 662 N ARG A 44 0.652 -9.941 4.801 1.00 0.00 N ATOM 663 CA ARG A 44 1.288 -11.134 4.174 1.00 0.00 C ATOM 664 C ARG A 44 2.325 -10.674 3.146 1.00 0.00 C ATOM 665 O ARG A 44 3.359 -11.288 2.977 1.00 0.00 O ATOM 666 CB ARG A 44 0.219 -11.984 3.482 1.00 0.00 C ATOM 667 CG ARG A 44 0.412 -13.455 3.862 1.00 0.00 C ATOM 668 CD ARG A 44 -0.235 -14.348 2.801 1.00 0.00 C ATOM 669 NE ARG A 44 0.642 -15.523 2.535 1.00 0.00 N ATOM 670 CZ ARG A 44 0.166 -16.733 2.653 1.00 0.00 C ATOM 671 NH1 ARG A 44 -0.924 -17.070 2.020 1.00 0.00 N ATOM 672 NH2 ARG A 44 0.781 -17.607 3.402 1.00 0.00 N ATOM 0 H ARG A 44 0.041 -9.401 4.189 1.00 0.00 H new ATOM 0 HA ARG A 44 1.778 -11.731 4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.775 -11.648 3.777 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.288 -11.865 2.401 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.475 -13.683 3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.033 -13.651 4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.215 -14.682 3.141 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.392 -13.783 1.882 1.00 0.00 H new ATOM 0 HE ARG A 44 1.614 -15.382 2.261 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.404 -16.388 1.433 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.296 -18.015 2.112 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.634 -17.345 3.896 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.408 -18.552 3.494 1.00 0.00 H new ATOM 686 N ILE A 45 2.060 -9.592 2.464 1.00 0.00 N ATOM 687 CA ILE A 45 3.037 -9.092 1.455 1.00 0.00 C ATOM 688 C ILE A 45 4.273 -8.548 2.175 1.00 0.00 C ATOM 689 O ILE A 45 5.391 -8.733 1.738 1.00 0.00 O ATOM 690 CB ILE A 45 2.396 -7.973 0.632 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.209 -8.531 -0.157 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.427 -7.400 -0.343 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.551 -7.402 -0.951 1.00 0.00 C ATOM 0 H ILE A 45 1.212 -9.034 2.562 1.00 0.00 H new ATOM 0 HA ILE A 45 3.327 -9.908 0.793 1.00 0.00 H new ATOM 0 HB ILE A 45 2.050 -7.186 1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.545 -9.318 -0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.486 -8.982 0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.970 -6.603 -0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.273 -7.000 0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.773 -8.188 -1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.295 -7.798 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.201 -6.631 -0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.277 -6.972 -1.641 1.00 0.00 H new ATOM 705 N ARG A 46 4.078 -7.879 3.279 1.00 0.00 N ATOM 706 CA ARG A 46 5.238 -7.322 4.032 1.00 0.00 C ATOM 707 C ARG A 46 5.733 -8.356 5.044 1.00 0.00 C ATOM 708 O ARG A 46 6.446 -8.036 5.974 1.00 0.00 O ATOM 709 CB ARG A 46 4.801 -6.056 4.774 1.00 0.00 C ATOM 710 CG ARG A 46 5.398 -4.827 4.086 1.00 0.00 C ATOM 711 CD ARG A 46 6.730 -4.466 4.746 1.00 0.00 C ATOM 712 NE ARG A 46 7.825 -5.263 4.124 1.00 0.00 N ATOM 713 CZ ARG A 46 8.452 -6.167 4.824 1.00 0.00 C ATOM 714 NH1 ARG A 46 8.364 -7.426 4.492 1.00 0.00 N ATOM 715 NH2 ARG A 46 9.169 -5.813 5.855 1.00 0.00 N ATOM 0 H ARG A 46 3.164 -7.694 3.692 1.00 0.00 H new ATOM 0 HA ARG A 46 6.041 -7.080 3.336 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.713 -5.986 4.786 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.129 -6.099 5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.549 -5.029 3.026 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.707 -3.987 4.155 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.929 -3.401 4.629 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.683 -4.666 5.817 1.00 0.00 H new ATOM 0 HE ARG A 46 8.084 -5.101 3.151 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.805 -7.703 3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.854 -8.133 5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.239 -4.829 6.114 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.659 -6.520 6.402 1.00 0.00 H new ATOM 729 N THR A 47 5.358 -9.595 4.874 1.00 0.00 N ATOM 730 CA THR A 47 5.805 -10.646 5.831 1.00 0.00 C ATOM 731 C THR A 47 6.477 -11.790 5.067 1.00 0.00 C ATOM 732 O THR A 47 7.683 -11.933 5.080 1.00 0.00 O ATOM 733 CB THR A 47 4.592 -11.186 6.593 1.00 0.00 C ATOM 734 OG1 THR A 47 3.965 -10.121 7.295 1.00 0.00 O ATOM 735 CG2 THR A 47 5.046 -12.255 7.587 1.00 0.00 C ATOM 0 H THR A 47 4.762 -9.924 4.114 1.00 0.00 H new ATOM 0 HA THR A 47 6.518 -10.215 6.534 1.00 0.00 H new ATOM 0 HB THR A 47 3.886 -11.625 5.889 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.068 -9.972 6.930 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.182 -12.639 8.129 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.528 -13.071 7.049 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.752 -11.819 8.293 1.00 0.00 H new ATOM 743 N ASP A 48 5.705 -12.610 4.406 1.00 0.00 N ATOM 744 CA ASP A 48 6.300 -13.747 3.648 1.00 0.00 C ATOM 745 C ASP A 48 6.612 -13.307 2.215 1.00 0.00 C ATOM 746 O ASP A 48 6.839 -14.121 1.343 1.00 0.00 O ATOM 747 CB ASP A 48 5.309 -14.913 3.619 1.00 0.00 C ATOM 748 CG ASP A 48 5.008 -15.365 5.049 1.00 0.00 C ATOM 749 OD1 ASP A 48 5.933 -15.402 5.844 1.00 0.00 O ATOM 750 OD2 ASP A 48 3.859 -15.668 5.324 1.00 0.00 O ATOM 0 H ASP A 48 4.688 -12.541 4.358 1.00 0.00 H new ATOM 0 HA ASP A 48 7.222 -14.062 4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.388 -14.609 3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.723 -15.741 3.044 1.00 0.00 H new ATOM 755 N GLU A 49 6.625 -12.027 1.963 1.00 0.00 N ATOM 756 CA GLU A 49 6.923 -11.545 0.585 1.00 0.00 C ATOM 757 C GLU A 49 8.021 -10.483 0.641 1.00 0.00 C ATOM 758 O GLU A 49 8.577 -10.203 1.684 1.00 0.00 O ATOM 759 CB GLU A 49 5.660 -10.935 -0.026 1.00 0.00 C ATOM 760 CG GLU A 49 5.258 -11.731 -1.268 1.00 0.00 C ATOM 761 CD GLU A 49 4.828 -13.138 -0.853 1.00 0.00 C ATOM 762 OE1 GLU A 49 3.681 -13.297 -0.468 1.00 0.00 O ATOM 763 OE2 GLU A 49 5.653 -14.034 -0.926 1.00 0.00 O ATOM 0 H GLU A 49 6.443 -11.296 2.650 1.00 0.00 H new ATOM 0 HA GLU A 49 7.257 -12.383 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.850 -10.944 0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.838 -9.893 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.442 -11.228 -1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.094 -11.785 -1.965 1.00 0.00 H new ATOM 770 N ASN A 50 8.334 -9.884 -0.476 1.00 0.00 N ATOM 771 CA ASN A 50 9.390 -8.835 -0.487 1.00 0.00 C ATOM 772 C ASN A 50 8.748 -7.474 -0.222 1.00 0.00 C ATOM 773 O ASN A 50 9.301 -6.442 -0.545 1.00 0.00 O ATOM 774 CB ASN A 50 10.082 -8.817 -1.852 1.00 0.00 C ATOM 775 CG ASN A 50 11.545 -8.408 -1.676 1.00 0.00 C ATOM 776 OD1 ASN A 50 11.941 -7.971 -0.614 1.00 0.00 O ATOM 777 ND2 ASN A 50 12.371 -8.531 -2.679 1.00 0.00 N ATOM 0 H ASN A 50 7.904 -10.077 -1.380 1.00 0.00 H new ATOM 0 HA ASN A 50 10.127 -9.050 0.287 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.022 -9.802 -2.315 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.576 -8.119 -2.519 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.348 -8.260 -2.571 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.039 -8.898 -3.571 1.00 0.00 H new ATOM 784 N GLY A 51 7.582 -7.464 0.363 1.00 0.00 N ATOM 785 CA GLY A 51 6.903 -6.169 0.648 1.00 0.00 C ATOM 786 C GLY A 51 6.960 -5.279 -0.595 1.00 0.00 C ATOM 787 O GLY A 51 6.992 -4.068 -0.501 1.00 0.00 O ATOM 0 H GLY A 51 7.070 -8.296 0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.866 -6.345 0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.386 -5.670 1.488 1.00 0.00 H new ATOM 791 N LEU A 52 6.975 -5.869 -1.760 1.00 0.00 N ATOM 792 CA LEU A 52 7.032 -5.052 -3.005 1.00 0.00 C ATOM 793 C LEU A 52 5.621 -4.864 -3.565 1.00 0.00 C ATOM 794 O LEU A 52 4.666 -5.439 -3.083 1.00 0.00 O ATOM 795 CB LEU A 52 7.896 -5.763 -4.051 1.00 0.00 C ATOM 796 CG LEU A 52 9.379 -5.522 -3.759 1.00 0.00 C ATOM 797 CD1 LEU A 52 10.212 -6.019 -4.942 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.628 -4.025 -3.558 1.00 0.00 C ATOM 0 H LEU A 52 6.950 -6.879 -1.903 1.00 0.00 H new ATOM 0 HA LEU A 52 7.466 -4.080 -2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.685 -6.832 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.649 -5.397 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 52 9.663 -6.060 -2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.269 -5.850 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.037 -7.085 -5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.924 -5.477 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.685 -3.857 -3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.345 -3.485 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.032 -3.666 -2.719 1.00 0.00 H new ATOM 810 N CYS A 53 5.490 -4.059 -4.583 1.00 0.00 N ATOM 811 CA CYS A 53 4.151 -3.822 -5.190 1.00 0.00 C ATOM 812 C CYS A 53 3.924 -4.816 -6.335 1.00 0.00 C ATOM 813 O CYS A 53 4.693 -4.852 -7.275 1.00 0.00 O ATOM 814 CB CYS A 53 4.094 -2.396 -5.740 1.00 0.00 C ATOM 815 SG CYS A 53 2.369 -1.888 -5.935 1.00 0.00 S ATOM 0 H CYS A 53 6.258 -3.552 -5.023 1.00 0.00 H new ATOM 0 HA CYS A 53 3.378 -3.957 -4.433 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.610 -1.714 -5.064 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.609 -2.345 -6.699 1.00 0.00 H new ATOM 0 HG CYS A 53 1.640 -2.472 -5.031 1.00 0.00 H new ATOM 820 N PRO A 54 2.873 -5.589 -6.235 1.00 0.00 N ATOM 821 CA PRO A 54 2.526 -6.581 -7.266 1.00 0.00 C ATOM 822 C PRO A 54 1.830 -5.894 -8.445 1.00 0.00 C ATOM 823 O PRO A 54 1.507 -6.517 -9.437 1.00 0.00 O ATOM 824 CB PRO A 54 1.564 -7.527 -6.544 1.00 0.00 C ATOM 825 CG PRO A 54 0.973 -6.726 -5.360 1.00 0.00 C ATOM 826 CD PRO A 54 1.938 -5.555 -5.093 1.00 0.00 C ATOM 0 HA PRO A 54 3.393 -7.097 -7.678 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.776 -7.866 -7.216 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.086 -8.416 -6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.024 -6.358 -5.601 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.876 -7.357 -4.476 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.407 -4.605 -5.042 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.462 -5.679 -4.145 1.00 0.00 H new ATOM 834 N ALA A 55 1.591 -4.613 -8.341 1.00 0.00 N ATOM 835 CA ALA A 55 0.909 -3.890 -9.452 1.00 0.00 C ATOM 836 C ALA A 55 1.927 -3.065 -10.247 1.00 0.00 C ATOM 837 O ALA A 55 1.949 -3.097 -11.461 1.00 0.00 O ATOM 838 CB ALA A 55 -0.157 -2.959 -8.872 1.00 0.00 C ATOM 0 H ALA A 55 1.839 -4.038 -7.536 1.00 0.00 H new ATOM 0 HA ALA A 55 0.443 -4.617 -10.117 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.657 -2.429 -9.683 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.889 -3.545 -8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.314 -2.238 -8.204 1.00 0.00 H new ATOM 844 N CYS A 56 2.765 -2.318 -9.577 1.00 0.00 N ATOM 845 CA CYS A 56 3.767 -1.489 -10.308 1.00 0.00 C ATOM 846 C CYS A 56 5.182 -2.005 -10.020 1.00 0.00 C ATOM 847 O CYS A 56 6.144 -1.572 -10.624 1.00 0.00 O ATOM 848 CB CYS A 56 3.637 -0.024 -9.863 1.00 0.00 C ATOM 849 SG CYS A 56 4.467 0.227 -8.269 1.00 0.00 S ATOM 0 H CYS A 56 2.799 -2.246 -8.560 1.00 0.00 H new ATOM 0 HA CYS A 56 3.582 -1.557 -11.380 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.075 0.632 -10.616 1.00 0.00 H new ATOM 0 HB3 CYS A 56 2.584 0.245 -9.779 1.00 0.00 H new ATOM 0 HG CYS A 56 3.746 -0.289 -7.318 1.00 0.00 H new ATOM 854 N ARG A 57 5.315 -2.919 -9.099 1.00 0.00 N ATOM 855 CA ARG A 57 6.666 -3.454 -8.769 1.00 0.00 C ATOM 856 C ARG A 57 7.496 -2.357 -8.095 1.00 0.00 C ATOM 857 O ARG A 57 8.420 -1.819 -8.672 1.00 0.00 O ATOM 858 CB ARG A 57 7.362 -3.914 -10.054 1.00 0.00 C ATOM 859 CG ARG A 57 7.373 -5.443 -10.108 1.00 0.00 C ATOM 860 CD ARG A 57 8.787 -5.955 -9.828 1.00 0.00 C ATOM 861 NE ARG A 57 8.735 -7.412 -9.519 1.00 0.00 N ATOM 862 CZ ARG A 57 9.840 -8.098 -9.421 1.00 0.00 C ATOM 863 NH1 ARG A 57 10.059 -9.101 -10.227 1.00 0.00 N ATOM 864 NH2 ARG A 57 10.728 -7.780 -8.519 1.00 0.00 N ATOM 0 H ARG A 57 4.546 -3.319 -8.560 1.00 0.00 H new ATOM 0 HA ARG A 57 6.568 -4.302 -8.091 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.844 -3.512 -10.925 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.382 -3.531 -10.085 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.676 -5.848 -9.374 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.039 -5.785 -11.087 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.427 -5.778 -10.692 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.224 -5.410 -8.991 1.00 0.00 H new ATOM 0 HE ARG A 57 7.835 -7.873 -9.384 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.366 -9.348 -10.933 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.923 -9.638 -10.150 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.558 -6.995 -7.890 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.592 -8.317 -8.443 1.00 0.00 H new ATOM 878 N LYS A 58 7.171 -2.024 -6.874 1.00 0.00 N ATOM 879 CA LYS A 58 7.933 -0.965 -6.152 1.00 0.00 C ATOM 880 C LYS A 58 7.899 -1.262 -4.650 1.00 0.00 C ATOM 881 O LYS A 58 6.972 -1.875 -4.165 1.00 0.00 O ATOM 882 CB LYS A 58 7.289 0.399 -6.415 1.00 0.00 C ATOM 883 CG LYS A 58 7.647 0.876 -7.824 1.00 0.00 C ATOM 884 CD LYS A 58 7.259 2.348 -7.974 1.00 0.00 C ATOM 885 CE LYS A 58 7.018 2.669 -9.451 1.00 0.00 C ATOM 886 NZ LYS A 58 5.972 3.725 -9.564 1.00 0.00 N ATOM 0 H LYS A 58 6.407 -2.442 -6.344 1.00 0.00 H new ATOM 0 HA LYS A 58 8.965 -0.951 -6.503 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.207 0.327 -6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.634 1.123 -5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.715 0.750 -8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.126 0.273 -8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.360 2.558 -7.395 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.050 2.985 -7.578 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.944 3.007 -9.917 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.703 1.771 -9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.807 3.944 -10.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.088 3.385 -9.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.290 4.583 -9.070 1.00 0.00 H new ATOM 900 N PRO A 59 8.910 -0.819 -3.954 1.00 0.00 N ATOM 901 CA PRO A 59 9.019 -1.034 -2.502 1.00 0.00 C ATOM 902 C PRO A 59 8.060 -0.107 -1.751 1.00 0.00 C ATOM 903 O PRO A 59 8.170 1.102 -1.817 1.00 0.00 O ATOM 904 CB PRO A 59 10.480 -0.693 -2.197 1.00 0.00 C ATOM 905 CG PRO A 59 10.965 0.215 -3.351 1.00 0.00 C ATOM 906 CD PRO A 59 10.027 -0.056 -4.543 1.00 0.00 C ATOM 0 HA PRO A 59 8.756 -2.046 -2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.568 -0.183 -1.238 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.085 -1.597 -2.134 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.929 1.265 -3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.999 -0.009 -3.612 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.680 0.872 -4.997 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.530 -0.625 -5.325 1.00 0.00 H new ATOM 914 N TYR A 60 7.115 -0.669 -1.042 1.00 0.00 N ATOM 915 CA TYR A 60 6.140 0.171 -0.287 1.00 0.00 C ATOM 916 C TYR A 60 6.873 1.344 0.371 1.00 0.00 C ATOM 917 O TYR A 60 8.013 1.214 0.768 1.00 0.00 O ATOM 918 CB TYR A 60 5.462 -0.675 0.796 1.00 0.00 C ATOM 919 CG TYR A 60 4.767 -1.867 0.172 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.537 -1.911 -1.210 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.349 -2.930 0.982 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.890 -3.015 -1.778 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.702 -4.034 0.414 1.00 0.00 C ATOM 924 CZ TYR A 60 3.473 -4.076 -0.967 1.00 0.00 C ATOM 925 OH TYR A 60 2.835 -5.164 -1.527 1.00 0.00 O ATOM 0 H TYR A 60 6.977 -1.676 -0.954 1.00 0.00 H new ATOM 0 HA TYR A 60 5.386 0.553 -0.976 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.203 -1.015 1.519 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.739 -0.068 1.342 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.859 -1.093 -1.837 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.526 -2.898 2.047 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.713 -3.048 -2.843 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.380 -4.853 1.040 1.00 0.00 H new ATOM 0 HH TYR A 60 3.441 -5.612 -2.153 1.00 0.00 H new ATOM 935 N PRO A 61 6.194 2.461 0.463 1.00 0.00 N ATOM 936 CA PRO A 61 6.760 3.680 1.066 1.00 0.00 C ATOM 937 C PRO A 61 6.718 3.594 2.594 1.00 0.00 C ATOM 938 O PRO A 61 5.735 3.942 3.218 1.00 0.00 O ATOM 939 CB PRO A 61 5.839 4.792 0.556 1.00 0.00 C ATOM 940 CG PRO A 61 4.500 4.112 0.178 1.00 0.00 C ATOM 941 CD PRO A 61 4.805 2.616 -0.025 1.00 0.00 C ATOM 0 HA PRO A 61 7.805 3.842 0.802 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.686 5.552 1.323 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.277 5.294 -0.307 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.759 4.253 0.965 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.087 4.550 -0.731 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.113 1.988 0.536 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.716 2.330 -1.073 1.00 0.00 H new