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 -166:sc= -4.64! USER MOD Set 1.2: A 33 CYS SG : rot -96:sc= 0.268 USER MOD Set 1.3: A 53 CYS SG : rot -151:sc= 0.515 USER MOD Set 1.4: A 56 CYS SG : rot 53:sc= -0.58 USER MOD Set 2.1: A 14 CYS SG : rot 165:sc= -2.13! USER MOD Set 2.2: A 17 CYS SG : rot -67:sc= -0.952! USER MOD Set 2.3: A 38 CYS SG : rot -136:sc= 0.104 USER MOD Set 2.4: A 41 CYS SG : rot 151:sc= -0.499 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.184 K(o=-0.18,f=-1.4) USER MOD Single : A 32 THR OG1 : rot -49:sc= 0.772 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -5.36! C(o=-5.4!,f=-5.7!) USER MOD Single : A 43 HIS : no HE2:sc= -3.16 X(o=-3.2,f=-3.5!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 75:sc= -1.89! USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -15.232 0.796 -1.109 1.00 0.00 N ATOM 166 CA VAL A 12 -13.917 0.202 -1.484 1.00 0.00 C ATOM 167 C VAL A 12 -13.701 -1.100 -0.710 1.00 0.00 C ATOM 168 O VAL A 12 -14.100 -1.231 0.431 1.00 0.00 O ATOM 169 CB VAL A 12 -12.798 1.187 -1.144 1.00 0.00 C ATOM 170 CG1 VAL A 12 -11.563 0.865 -1.988 1.00 0.00 C ATOM 171 CG2 VAL A 12 -13.262 2.613 -1.447 1.00 0.00 C ATOM 0 HA VAL A 12 -13.907 -0.007 -2.554 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.550 1.103 -0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.764 1.566 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.231 -0.151 -1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.813 0.950 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.464 3.315 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.510 2.698 -2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.143 2.844 -0.848 1.00 0.00 H new ATOM 181 N GLU A 13 -13.070 -2.064 -1.324 1.00 0.00 N ATOM 182 CA GLU A 13 -12.822 -3.360 -0.630 1.00 0.00 C ATOM 183 C GLU A 13 -11.536 -3.986 -1.172 1.00 0.00 C ATOM 184 O GLU A 13 -11.303 -4.015 -2.365 1.00 0.00 O ATOM 185 CB GLU A 13 -13.997 -4.306 -0.884 1.00 0.00 C ATOM 186 CG GLU A 13 -14.296 -4.359 -2.384 1.00 0.00 C ATOM 187 CD GLU A 13 -15.791 -4.606 -2.599 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.344 -5.427 -1.886 1.00 0.00 O ATOM 189 OE2 GLU A 13 -16.357 -3.970 -3.473 1.00 0.00 O ATOM 0 H GLU A 13 -12.715 -2.010 -2.279 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.720 -3.188 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.761 -5.304 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.877 -3.964 -0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.000 -3.423 -2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.714 -5.152 -2.854 1.00 0.00 H new ATOM 196 N CYS A 14 -10.696 -4.485 -0.308 1.00 0.00 N ATOM 197 CA CYS A 14 -9.424 -5.105 -0.778 1.00 0.00 C ATOM 198 C CYS A 14 -9.711 -6.011 -1.981 1.00 0.00 C ATOM 199 O CYS A 14 -10.361 -7.026 -1.840 1.00 0.00 O ATOM 200 CB CYS A 14 -8.819 -5.945 0.348 1.00 0.00 C ATOM 201 SG CYS A 14 -7.128 -6.412 -0.103 1.00 0.00 S ATOM 0 H CYS A 14 -10.835 -4.491 0.703 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.725 -4.320 -1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.817 -5.379 1.280 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.423 -6.837 0.518 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.499 -6.835 0.953 1.00 0.00 H new ATOM 206 N PRO A 15 -9.216 -5.622 -3.131 1.00 0.00 N ATOM 207 CA PRO A 15 -9.405 -6.391 -4.373 1.00 0.00 C ATOM 208 C PRO A 15 -8.408 -7.555 -4.433 1.00 0.00 C ATOM 209 O PRO A 15 -8.435 -8.362 -5.341 1.00 0.00 O ATOM 210 CB PRO A 15 -9.108 -5.370 -5.475 1.00 0.00 C ATOM 211 CG PRO A 15 -8.227 -4.274 -4.828 1.00 0.00 C ATOM 212 CD PRO A 15 -8.434 -4.381 -3.305 1.00 0.00 C ATOM 0 HA PRO A 15 -10.399 -6.830 -4.459 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.591 -5.840 -6.311 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.031 -4.944 -5.869 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.178 -4.418 -5.087 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.512 -3.286 -5.189 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.482 -4.433 -2.777 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.969 -3.515 -2.914 1.00 0.00 H new ATOM 220 N LEU A 16 -7.523 -7.642 -3.476 1.00 0.00 N ATOM 221 CA LEU A 16 -6.522 -8.746 -3.483 1.00 0.00 C ATOM 222 C LEU A 16 -7.043 -9.927 -2.661 1.00 0.00 C ATOM 223 O LEU A 16 -6.687 -11.064 -2.900 1.00 0.00 O ATOM 224 CB LEU A 16 -5.210 -8.245 -2.876 1.00 0.00 C ATOM 225 CG LEU A 16 -4.862 -6.881 -3.473 1.00 0.00 C ATOM 226 CD1 LEU A 16 -4.639 -5.874 -2.344 1.00 0.00 C ATOM 227 CD2 LEU A 16 -3.584 -7.003 -4.308 1.00 0.00 C ATOM 0 H LEU A 16 -7.451 -6.996 -2.690 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.353 -9.070 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.304 -8.167 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.409 -8.957 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.680 -6.540 -4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.391 -4.901 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.547 -5.789 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.820 -6.213 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.334 -6.032 -4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.765 -7.342 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.742 -7.722 -5.112 1.00 0.00 H new ATOM 239 N CYS A 17 -7.884 -9.672 -1.695 1.00 0.00 N ATOM 240 CA CYS A 17 -8.422 -10.787 -0.866 1.00 0.00 C ATOM 241 C CYS A 17 -9.919 -10.563 -0.630 1.00 0.00 C ATOM 242 O CYS A 17 -10.546 -11.250 0.150 1.00 0.00 O ATOM 243 CB CYS A 17 -7.675 -10.836 0.474 1.00 0.00 C ATOM 244 SG CYS A 17 -8.286 -9.539 1.582 1.00 0.00 S ATOM 0 H CYS A 17 -8.221 -8.742 -1.445 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.280 -11.736 -1.384 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.810 -11.813 0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.606 -10.707 0.307 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.968 -8.373 1.103 1.00 0.00 H new ATOM 249 N MET A 18 -10.489 -9.602 -1.301 1.00 0.00 N ATOM 250 CA MET A 18 -11.939 -9.322 -1.125 1.00 0.00 C ATOM 251 C MET A 18 -12.232 -9.012 0.345 1.00 0.00 C ATOM 252 O MET A 18 -12.567 -9.887 1.119 1.00 0.00 O ATOM 253 CB MET A 18 -12.753 -10.542 -1.563 1.00 0.00 C ATOM 254 CG MET A 18 -13.936 -10.089 -2.420 1.00 0.00 C ATOM 255 SD MET A 18 -15.111 -11.454 -2.597 1.00 0.00 S ATOM 256 CE MET A 18 -16.378 -10.812 -1.477 1.00 0.00 C ATOM 0 H MET A 18 -10.010 -8.996 -1.967 1.00 0.00 H new ATOM 0 HA MET A 18 -12.215 -8.462 -1.735 1.00 0.00 H new ATOM 0 HB2 MET A 18 -12.123 -11.228 -2.129 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.111 -11.086 -0.689 1.00 0.00 H new ATOM 0 HG2 MET A 18 -14.426 -9.231 -1.959 1.00 0.00 H new ATOM 0 HG3 MET A 18 -13.586 -9.767 -3.401 1.00 0.00 H new ATOM 0 HE1 MET A 18 -17.214 -11.511 -1.434 1.00 0.00 H new ATOM 0 HE2 MET A 18 -15.955 -10.691 -0.480 1.00 0.00 H new ATOM 0 HE3 MET A 18 -16.730 -9.847 -1.841 1.00 0.00 H new ATOM 266 N GLU A 19 -12.112 -7.772 0.736 1.00 0.00 N ATOM 267 CA GLU A 19 -12.387 -7.404 2.155 1.00 0.00 C ATOM 268 C GLU A 19 -13.039 -6.019 2.201 1.00 0.00 C ATOM 269 O GLU A 19 -12.803 -5.197 1.338 1.00 0.00 O ATOM 270 CB GLU A 19 -11.075 -7.380 2.941 1.00 0.00 C ATOM 271 CG GLU A 19 -10.920 -8.691 3.716 1.00 0.00 C ATOM 272 CD GLU A 19 -10.566 -8.391 5.175 1.00 0.00 C ATOM 273 OE1 GLU A 19 -10.583 -7.229 5.544 1.00 0.00 O ATOM 274 OE2 GLU A 19 -10.281 -9.331 5.899 1.00 0.00 O ATOM 0 H GLU A 19 -11.835 -6.997 0.133 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.059 -8.138 2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.234 -7.246 2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.067 -6.535 3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.845 -9.265 3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.141 -9.303 3.261 1.00 0.00 H new ATOM 281 N PRO A 20 -13.846 -5.804 3.208 1.00 0.00 N ATOM 282 CA PRO A 20 -14.560 -4.527 3.396 1.00 0.00 C ATOM 283 C PRO A 20 -13.617 -3.452 3.947 1.00 0.00 C ATOM 284 O PRO A 20 -12.949 -3.648 4.944 1.00 0.00 O ATOM 285 CB PRO A 20 -15.652 -4.874 4.411 1.00 0.00 C ATOM 286 CG PRO A 20 -15.170 -6.139 5.159 1.00 0.00 C ATOM 287 CD PRO A 20 -14.122 -6.812 4.253 1.00 0.00 C ATOM 0 HA PRO A 20 -14.961 -4.121 2.467 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.812 -4.050 5.106 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.603 -5.058 3.910 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.737 -5.877 6.124 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.003 -6.814 5.356 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.220 -7.067 4.809 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.503 -7.738 3.823 1.00 0.00 H new ATOM 295 N LEU A 21 -13.561 -2.319 3.302 1.00 0.00 N ATOM 296 CA LEU A 21 -12.667 -1.227 3.778 1.00 0.00 C ATOM 297 C LEU A 21 -13.503 -0.134 4.449 1.00 0.00 C ATOM 298 O LEU A 21 -14.568 0.220 3.983 1.00 0.00 O ATOM 299 CB LEU A 21 -11.921 -0.628 2.584 1.00 0.00 C ATOM 300 CG LEU A 21 -10.853 -1.610 2.104 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.409 -1.231 0.691 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.653 -1.549 3.049 1.00 0.00 C ATOM 0 H LEU A 21 -14.098 -2.102 2.463 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.953 -1.631 4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.620 -0.412 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.459 0.318 2.868 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.262 -2.620 2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.647 -1.932 0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.266 -1.269 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.997 -0.222 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.888 -2.248 2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.245 -0.538 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.970 -1.817 4.057 1.00 0.00 H new ATOM 314 N GLU A 22 -13.027 0.406 5.537 1.00 0.00 N ATOM 315 CA GLU A 22 -13.792 1.479 6.231 1.00 0.00 C ATOM 316 C GLU A 22 -13.265 2.845 5.789 1.00 0.00 C ATOM 317 O GLU A 22 -12.594 2.966 4.783 1.00 0.00 O ATOM 318 CB GLU A 22 -13.620 1.331 7.744 1.00 0.00 C ATOM 319 CG GLU A 22 -14.995 1.324 8.414 1.00 0.00 C ATOM 320 CD GLU A 22 -14.826 1.453 9.928 1.00 0.00 C ATOM 321 OE1 GLU A 22 -14.349 0.508 10.535 1.00 0.00 O ATOM 322 OE2 GLU A 22 -15.176 2.496 10.456 1.00 0.00 O ATOM 0 H GLU A 22 -12.142 0.151 5.975 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.849 1.396 5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.088 0.408 7.972 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.017 2.151 8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.601 2.147 8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.524 0.401 8.174 1.00 0.00 H new ATOM 329 N ILE A 23 -13.564 3.876 6.528 1.00 0.00 N ATOM 330 CA ILE A 23 -13.081 5.232 6.144 1.00 0.00 C ATOM 331 C ILE A 23 -11.586 5.354 6.462 1.00 0.00 C ATOM 332 O ILE A 23 -10.819 5.883 5.682 1.00 0.00 O ATOM 333 CB ILE A 23 -13.871 6.288 6.927 1.00 0.00 C ATOM 334 CG1 ILE A 23 -15.246 6.478 6.280 1.00 0.00 C ATOM 335 CG2 ILE A 23 -13.118 7.621 6.911 1.00 0.00 C ATOM 336 CD1 ILE A 23 -15.952 5.125 6.172 1.00 0.00 C ATOM 0 H ILE A 23 -14.122 3.839 7.381 1.00 0.00 H new ATOM 0 HA ILE A 23 -13.230 5.388 5.075 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.990 5.954 7.958 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -15.847 7.167 6.874 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -15.136 6.922 5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.685 8.366 7.469 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.138 7.491 7.371 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.994 7.956 5.881 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -16.931 5.261 5.711 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -15.354 4.450 5.560 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -16.076 4.699 7.167 1.00 0.00 H new ATOM 348 N ASP A 24 -11.168 4.879 7.603 1.00 0.00 N ATOM 349 CA ASP A 24 -9.726 4.979 7.971 1.00 0.00 C ATOM 350 C ASP A 24 -8.943 3.812 7.358 1.00 0.00 C ATOM 351 O ASP A 24 -7.837 3.518 7.767 1.00 0.00 O ATOM 352 CB ASP A 24 -9.585 4.939 9.494 1.00 0.00 C ATOM 353 CG ASP A 24 -10.004 6.287 10.080 1.00 0.00 C ATOM 354 OD1 ASP A 24 -9.772 7.292 9.429 1.00 0.00 O ATOM 355 OD2 ASP A 24 -10.550 6.293 11.171 1.00 0.00 O ATOM 0 H ASP A 24 -11.762 4.426 8.297 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.326 5.918 7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.205 4.143 9.906 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.554 4.716 9.769 1.00 0.00 H new ATOM 360 N ASP A 25 -9.499 3.146 6.383 1.00 0.00 N ATOM 361 CA ASP A 25 -8.771 2.004 5.759 1.00 0.00 C ATOM 362 C ASP A 25 -8.870 2.096 4.233 1.00 0.00 C ATOM 363 O ASP A 25 -8.338 1.271 3.519 1.00 0.00 O ATOM 364 CB ASP A 25 -9.387 0.686 6.229 1.00 0.00 C ATOM 365 CG ASP A 25 -9.487 0.683 7.756 1.00 0.00 C ATOM 366 OD1 ASP A 25 -8.450 0.620 8.396 1.00 0.00 O ATOM 367 OD2 ASP A 25 -10.597 0.743 8.258 1.00 0.00 O ATOM 0 H ASP A 25 -10.421 3.341 5.993 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.723 2.044 6.055 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.376 0.558 5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.777 -0.153 5.893 1.00 0.00 H new ATOM 372 N ILE A 26 -9.542 3.093 3.722 1.00 0.00 N ATOM 373 CA ILE A 26 -9.664 3.226 2.243 1.00 0.00 C ATOM 374 C ILE A 26 -8.405 3.900 1.688 1.00 0.00 C ATOM 375 O ILE A 26 -8.158 3.892 0.499 1.00 0.00 O ATOM 376 CB ILE A 26 -10.901 4.069 1.907 1.00 0.00 C ATOM 377 CG1 ILE A 26 -12.152 3.196 2.022 1.00 0.00 C ATOM 378 CG2 ILE A 26 -10.795 4.613 0.480 1.00 0.00 C ATOM 379 CD1 ILE A 26 -13.367 4.078 2.316 1.00 0.00 C ATOM 0 H ILE A 26 -10.010 3.819 4.264 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.771 2.239 1.792 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.964 4.905 2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -12.308 2.642 1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.023 2.461 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.678 5.210 0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.904 5.235 0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.727 3.782 -0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -14.258 3.455 2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.211 4.612 3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.500 4.796 1.507 1.00 0.00 H new ATOM 391 N ASN A 27 -7.608 4.483 2.540 1.00 0.00 N ATOM 392 CA ASN A 27 -6.369 5.155 2.061 1.00 0.00 C ATOM 393 C ASN A 27 -5.147 4.476 2.684 1.00 0.00 C ATOM 394 O ASN A 27 -4.022 4.884 2.469 1.00 0.00 O ATOM 395 CB ASN A 27 -6.398 6.629 2.472 1.00 0.00 C ATOM 396 CG ASN A 27 -6.981 6.755 3.881 1.00 0.00 C ATOM 397 OD1 ASN A 27 -6.475 6.164 4.814 1.00 0.00 O ATOM 398 ND2 ASN A 27 -8.031 7.505 4.075 1.00 0.00 N ATOM 0 H ASN A 27 -7.762 4.523 3.548 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.312 5.081 0.975 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.391 7.045 2.445 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.998 7.203 1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.427 7.595 5.010 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.455 8.001 3.291 1.00 0.00 H new ATOM 405 N PHE A 28 -5.355 3.439 3.451 1.00 0.00 N ATOM 406 CA PHE A 28 -4.199 2.740 4.077 1.00 0.00 C ATOM 407 C PHE A 28 -3.610 1.740 3.082 1.00 0.00 C ATOM 408 O PHE A 28 -4.194 0.712 2.802 1.00 0.00 O ATOM 409 CB PHE A 28 -4.655 1.994 5.334 1.00 0.00 C ATOM 410 CG PHE A 28 -3.463 1.319 5.976 1.00 0.00 C ATOM 411 CD1 PHE A 28 -2.866 0.212 5.360 1.00 0.00 C ATOM 412 CD2 PHE A 28 -2.950 1.806 7.185 1.00 0.00 C ATOM 413 CE1 PHE A 28 -1.757 -0.408 5.950 1.00 0.00 C ATOM 414 CE2 PHE A 28 -1.843 1.185 7.776 1.00 0.00 C ATOM 415 CZ PHE A 28 -1.247 0.079 7.159 1.00 0.00 C ATOM 0 H PHE A 28 -6.272 3.048 3.669 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.444 3.477 4.351 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.115 2.689 6.036 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.412 1.253 5.076 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.261 -0.164 4.428 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.408 2.660 7.661 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.296 -1.260 5.473 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.449 1.560 8.709 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.393 -0.399 7.616 1.00 0.00 H new ATOM 425 N PHE A 29 -2.456 2.029 2.553 1.00 0.00 N ATOM 426 CA PHE A 29 -1.826 1.089 1.586 1.00 0.00 C ATOM 427 C PHE A 29 -0.315 1.269 1.624 1.00 0.00 C ATOM 428 O PHE A 29 0.178 2.296 2.047 1.00 0.00 O ATOM 429 CB PHE A 29 -2.324 1.372 0.166 1.00 0.00 C ATOM 430 CG PHE A 29 -2.116 2.830 -0.170 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.818 3.368 -0.273 1.00 0.00 C ATOM 432 CD2 PHE A 29 -3.230 3.649 -0.379 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.654 4.725 -0.582 1.00 0.00 C ATOM 434 CE2 PHE A 29 -3.064 4.999 -0.688 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.777 5.541 -0.788 1.00 0.00 C ATOM 0 H PHE A 29 -1.921 2.875 2.748 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.093 0.069 1.862 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.790 0.745 -0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.381 1.118 0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.045 2.739 -0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.224 3.234 -0.301 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.338 5.144 -0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.928 5.626 -0.850 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.648 6.587 -1.024 1.00 0.00 H new ATOM 445 N PRO A 30 0.378 0.266 1.165 1.00 0.00 N ATOM 446 CA PRO A 30 1.841 0.282 1.112 1.00 0.00 C ATOM 447 C PRO A 30 2.311 1.102 -0.093 1.00 0.00 C ATOM 448 O PRO A 30 2.533 2.293 0.007 1.00 0.00 O ATOM 449 CB PRO A 30 2.213 -1.192 0.963 1.00 0.00 C ATOM 450 CG PRO A 30 0.965 -1.904 0.389 1.00 0.00 C ATOM 451 CD PRO A 30 -0.234 -0.980 0.660 1.00 0.00 C ATOM 0 HA PRO A 30 2.304 0.737 1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.068 -1.311 0.297 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.496 -1.620 1.925 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.080 -2.085 -0.680 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.821 -2.875 0.863 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.812 -0.801 -0.247 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.915 -1.415 1.392 1.00 0.00 H new ATOM 459 N CYS A 31 2.469 0.481 -1.229 1.00 0.00 N ATOM 460 CA CYS A 31 2.930 1.240 -2.426 1.00 0.00 C ATOM 461 C CYS A 31 2.158 2.558 -2.526 1.00 0.00 C ATOM 462 O CYS A 31 0.970 2.614 -2.271 1.00 0.00 O ATOM 463 CB CYS A 31 2.694 0.412 -3.686 1.00 0.00 C ATOM 464 SG CYS A 31 3.676 1.102 -5.038 1.00 0.00 S ATOM 0 H CYS A 31 2.300 -0.513 -1.380 1.00 0.00 H new ATOM 0 HA CYS A 31 3.995 1.450 -2.329 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.973 -0.627 -3.511 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.636 0.419 -3.948 1.00 0.00 H new ATOM 0 HG CYS A 31 3.266 0.608 -6.168 1.00 0.00 H new ATOM 469 N THR A 32 2.825 3.620 -2.887 1.00 0.00 N ATOM 470 CA THR A 32 2.134 4.936 -2.995 1.00 0.00 C ATOM 471 C THR A 32 1.587 5.138 -4.412 1.00 0.00 C ATOM 472 O THR A 32 1.500 6.250 -4.894 1.00 0.00 O ATOM 473 CB THR A 32 3.126 6.057 -2.674 1.00 0.00 C ATOM 474 OG1 THR A 32 2.437 7.298 -2.632 1.00 0.00 O ATOM 475 CG2 THR A 32 4.207 6.108 -3.753 1.00 0.00 C ATOM 0 H THR A 32 3.820 3.633 -3.112 1.00 0.00 H new ATOM 0 HA THR A 32 1.304 4.957 -2.288 1.00 0.00 H new ATOM 0 HB THR A 32 3.591 5.866 -1.707 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.881 7.391 -3.434 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.913 6.906 -3.524 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.735 5.155 -3.784 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.745 6.299 -4.722 1.00 0.00 H new ATOM 483 N CYS A 33 1.209 4.084 -5.084 1.00 0.00 N ATOM 484 CA CYS A 33 0.665 4.251 -6.464 1.00 0.00 C ATOM 485 C CYS A 33 -0.865 4.257 -6.409 1.00 0.00 C ATOM 486 O CYS A 33 -1.528 4.573 -7.377 1.00 0.00 O ATOM 487 CB CYS A 33 1.150 3.112 -7.363 1.00 0.00 C ATOM 488 SG CYS A 33 0.437 1.546 -6.811 1.00 0.00 S ATOM 0 H CYS A 33 1.252 3.124 -4.742 1.00 0.00 H new ATOM 0 HA CYS A 33 1.017 5.196 -6.877 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.865 3.307 -8.397 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.238 3.055 -7.337 1.00 0.00 H new ATOM 0 HG CYS A 33 1.284 0.931 -6.040 1.00 0.00 H new ATOM 493 N GLY A 34 -1.432 3.926 -5.280 1.00 0.00 N ATOM 494 CA GLY A 34 -2.919 3.932 -5.165 1.00 0.00 C ATOM 495 C GLY A 34 -3.445 2.509 -4.971 1.00 0.00 C ATOM 496 O GLY A 34 -4.492 2.313 -4.390 1.00 0.00 O ATOM 0 H GLY A 34 -0.931 3.652 -4.434 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.222 4.556 -4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.358 4.369 -6.062 1.00 0.00 H new ATOM 500 N TYR A 35 -2.740 1.515 -5.444 1.00 0.00 N ATOM 501 CA TYR A 35 -3.232 0.118 -5.263 1.00 0.00 C ATOM 502 C TYR A 35 -3.568 -0.084 -3.784 1.00 0.00 C ATOM 503 O TYR A 35 -2.719 -0.419 -2.982 1.00 0.00 O ATOM 504 CB TYR A 35 -2.152 -0.878 -5.699 1.00 0.00 C ATOM 505 CG TYR A 35 -2.810 -2.126 -6.241 1.00 0.00 C ATOM 506 CD1 TYR A 35 -3.822 -2.018 -7.203 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.410 -3.389 -5.786 1.00 0.00 C ATOM 508 CE1 TYR A 35 -4.436 -3.170 -7.709 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.024 -4.543 -6.292 1.00 0.00 C ATOM 510 CZ TYR A 35 -4.037 -4.433 -7.254 1.00 0.00 C ATOM 511 OH TYR A 35 -4.642 -5.568 -7.752 1.00 0.00 O ATOM 0 H TYR A 35 -1.855 1.608 -5.942 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.119 -0.050 -5.874 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.514 -0.430 -6.461 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.511 -1.129 -4.854 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.129 -1.044 -7.555 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.629 -3.474 -5.045 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.217 -3.085 -8.450 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.716 -5.517 -5.941 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.247 -6.360 -7.332 1.00 0.00 H new ATOM 521 N GLN A 36 -4.798 0.150 -3.415 1.00 0.00 N ATOM 522 CA GLN A 36 -5.194 0.011 -1.988 1.00 0.00 C ATOM 523 C GLN A 36 -5.347 -1.461 -1.610 1.00 0.00 C ATOM 524 O GLN A 36 -5.873 -2.259 -2.358 1.00 0.00 O ATOM 525 CB GLN A 36 -6.526 0.732 -1.767 1.00 0.00 C ATOM 526 CG GLN A 36 -6.474 1.508 -0.452 1.00 0.00 C ATOM 527 CD GLN A 36 -6.858 0.586 0.706 1.00 0.00 C ATOM 528 OE1 GLN A 36 -7.537 -0.403 0.514 1.00 0.00 O ATOM 529 NE2 GLN A 36 -6.448 0.874 1.910 1.00 0.00 N ATOM 0 H GLN A 36 -5.548 0.433 -4.045 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.418 0.451 -1.362 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.725 1.412 -2.595 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.343 0.010 -1.744 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.473 1.908 -0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.154 2.359 -0.493 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.878 1.705 2.070 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.697 0.269 2.692 1.00 0.00 H new ATOM 538 N ILE A 37 -4.899 -1.816 -0.436 1.00 0.00 N ATOM 539 CA ILE A 37 -5.022 -3.225 0.023 1.00 0.00 C ATOM 540 C ILE A 37 -5.449 -3.226 1.494 1.00 0.00 C ATOM 541 O ILE A 37 -5.499 -2.195 2.134 1.00 0.00 O ATOM 542 CB ILE A 37 -3.676 -3.948 -0.145 1.00 0.00 C ATOM 543 CG1 ILE A 37 -2.776 -3.696 1.071 1.00 0.00 C ATOM 544 CG2 ILE A 37 -2.975 -3.426 -1.401 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.501 -4.529 0.938 1.00 0.00 C ATOM 0 H ILE A 37 -4.450 -1.184 0.228 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.769 -3.749 -0.573 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.862 -5.018 -0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.527 -2.637 1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.302 -3.960 1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.020 -3.937 -1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.602 -3.615 -2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.803 -2.354 -1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.859 -4.352 1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.761 -5.587 0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.973 -4.243 0.028 1.00 0.00 H new ATOM 557 N CYS A 38 -5.753 -4.370 2.038 1.00 0.00 N ATOM 558 CA CYS A 38 -6.169 -4.421 3.465 1.00 0.00 C ATOM 559 C CYS A 38 -4.935 -4.640 4.342 1.00 0.00 C ATOM 560 O CYS A 38 -3.894 -5.054 3.872 1.00 0.00 O ATOM 561 CB CYS A 38 -7.174 -5.561 3.666 1.00 0.00 C ATOM 562 SG CYS A 38 -6.319 -7.155 3.619 1.00 0.00 S ATOM 0 H CYS A 38 -5.731 -5.269 1.557 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.644 -3.481 3.746 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.686 -5.442 4.621 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.937 -5.525 2.889 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.007 -7.996 2.906 1.00 0.00 H new ATOM 567 N ARG A 39 -5.037 -4.364 5.613 1.00 0.00 N ATOM 568 CA ARG A 39 -3.864 -4.556 6.513 1.00 0.00 C ATOM 569 C ARG A 39 -3.541 -6.048 6.623 1.00 0.00 C ATOM 570 O ARG A 39 -2.490 -6.432 7.096 1.00 0.00 O ATOM 571 CB ARG A 39 -4.190 -4.000 7.897 1.00 0.00 C ATOM 572 CG ARG A 39 -4.290 -2.477 7.823 1.00 0.00 C ATOM 573 CD ARG A 39 -3.684 -1.868 9.086 1.00 0.00 C ATOM 574 NE ARG A 39 -4.700 -1.875 10.176 1.00 0.00 N ATOM 575 CZ ARG A 39 -5.190 -3.006 10.606 1.00 0.00 C ATOM 576 NH1 ARG A 39 -6.469 -3.246 10.499 1.00 0.00 N ATOM 577 NH2 ARG A 39 -4.402 -3.898 11.139 1.00 0.00 N ATOM 0 H ARG A 39 -5.881 -4.014 6.067 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.002 -4.030 6.104 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.129 -4.420 8.257 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.417 -4.290 8.609 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.766 -2.109 6.941 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.332 -2.174 7.724 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.804 -2.435 9.390 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.353 -0.848 8.889 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.013 -0.995 10.587 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.085 -2.550 10.079 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.852 -4.130 10.835 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.402 -3.712 11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.785 -4.782 11.475 1.00 0.00 H new ATOM 591 N PHE A 40 -4.439 -6.890 6.192 1.00 0.00 N ATOM 592 CA PHE A 40 -4.189 -8.357 6.272 1.00 0.00 C ATOM 593 C PHE A 40 -3.419 -8.813 5.031 1.00 0.00 C ATOM 594 O PHE A 40 -2.845 -9.885 5.005 1.00 0.00 O ATOM 595 CB PHE A 40 -5.528 -9.096 6.339 1.00 0.00 C ATOM 596 CG PHE A 40 -5.666 -9.776 7.681 1.00 0.00 C ATOM 597 CD1 PHE A 40 -5.278 -9.107 8.847 1.00 0.00 C ATOM 598 CD2 PHE A 40 -6.181 -11.075 7.756 1.00 0.00 C ATOM 599 CE1 PHE A 40 -5.405 -9.738 10.091 1.00 0.00 C ATOM 600 CE2 PHE A 40 -6.309 -11.706 9.000 1.00 0.00 C ATOM 601 CZ PHE A 40 -5.920 -11.038 10.167 1.00 0.00 C ATOM 0 H PHE A 40 -5.337 -6.625 5.787 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.603 -8.578 7.164 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.349 -8.395 6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.588 -9.833 5.539 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.881 -8.104 8.788 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.480 -11.591 6.855 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.106 -9.222 10.991 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.708 -12.708 9.059 1.00 0.00 H new ATOM 0 HZ PHE A 40 -6.017 -11.525 11.126 1.00 0.00 H new ATOM 611 N CYS A 41 -3.400 -8.012 4.000 1.00 0.00 N ATOM 612 CA CYS A 41 -2.667 -8.404 2.763 1.00 0.00 C ATOM 613 C CYS A 41 -1.226 -7.892 2.837 1.00 0.00 C ATOM 614 O CYS A 41 -0.314 -8.501 2.313 1.00 0.00 O ATOM 615 CB CYS A 41 -3.369 -7.810 1.539 1.00 0.00 C ATOM 616 SG CYS A 41 -4.600 -8.987 0.917 1.00 0.00 S ATOM 0 H CYS A 41 -3.861 -7.103 3.961 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.657 -9.490 2.676 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -3.851 -6.869 1.804 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.639 -7.586 0.761 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.571 -8.338 0.346 1.00 0.00 H new ATOM 621 N TRP A 42 -1.011 -6.779 3.484 1.00 0.00 N ATOM 622 CA TRP A 42 0.373 -6.233 3.591 1.00 0.00 C ATOM 623 C TRP A 42 1.140 -6.998 4.672 1.00 0.00 C ATOM 624 O TRP A 42 2.318 -7.261 4.540 1.00 0.00 O ATOM 625 CB TRP A 42 0.312 -4.747 3.960 1.00 0.00 C ATOM 626 CG TRP A 42 1.676 -4.269 4.343 1.00 0.00 C ATOM 627 CD1 TRP A 42 2.717 -4.123 3.490 1.00 0.00 C ATOM 628 CD2 TRP A 42 2.166 -3.875 5.659 1.00 0.00 C ATOM 629 NE1 TRP A 42 3.814 -3.664 4.199 1.00 0.00 N ATOM 630 CE2 TRP A 42 3.525 -3.496 5.538 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.570 -3.810 6.931 1.00 0.00 C ATOM 632 CZ2 TRP A 42 4.265 -3.068 6.642 1.00 0.00 C ATOM 633 CZ3 TRP A 42 2.313 -3.380 8.044 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.658 -3.009 7.899 1.00 0.00 C ATOM 0 H TRP A 42 -1.733 -6.224 3.943 1.00 0.00 H new ATOM 0 HA TRP A 42 0.883 -6.346 2.634 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.064 -4.168 3.117 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.383 -4.595 4.786 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.695 -4.331 2.430 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.725 -3.473 3.782 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.535 -4.092 7.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 5.300 -2.784 6.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.846 -3.335 9.017 1.00 0.00 H new ATOM 0 HH2 TRP A 42 4.223 -2.678 8.758 1.00 0.00 H new ATOM 645 N HIS A 43 0.481 -7.361 5.739 1.00 0.00 N ATOM 646 CA HIS A 43 1.175 -8.110 6.822 1.00 0.00 C ATOM 647 C HIS A 43 1.477 -9.534 6.345 1.00 0.00 C ATOM 648 O HIS A 43 2.116 -10.305 7.032 1.00 0.00 O ATOM 649 CB HIS A 43 0.277 -8.167 8.060 1.00 0.00 C ATOM 650 CG HIS A 43 0.602 -7.016 8.971 1.00 0.00 C ATOM 651 ND1 HIS A 43 1.436 -7.154 10.069 1.00 0.00 N ATOM 652 CD2 HIS A 43 0.205 -5.700 8.966 1.00 0.00 C ATOM 653 CE1 HIS A 43 1.515 -5.954 10.673 1.00 0.00 C ATOM 654 NE2 HIS A 43 0.784 -5.033 10.041 1.00 0.00 N ATOM 0 H HIS A 43 -0.507 -7.171 5.906 1.00 0.00 H new ATOM 0 HA HIS A 43 2.108 -7.605 7.073 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.771 -8.125 7.764 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.423 -9.111 8.584 1.00 0.00 H new ATOM 0 HD1 HIS A 43 1.905 -8.010 10.366 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.456 -5.252 8.238 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.099 -5.760 11.561 1.00 0.00 H new ATOM 662 N ARG A 44 1.023 -9.887 5.172 1.00 0.00 N ATOM 663 CA ARG A 44 1.287 -11.259 4.654 1.00 0.00 C ATOM 664 C ARG A 44 2.163 -11.173 3.403 1.00 0.00 C ATOM 665 O ARG A 44 2.804 -12.129 3.013 1.00 0.00 O ATOM 666 CB ARG A 44 -0.040 -11.936 4.301 1.00 0.00 C ATOM 667 CG ARG A 44 -0.745 -12.385 5.583 1.00 0.00 C ATOM 668 CD ARG A 44 -0.035 -13.613 6.155 1.00 0.00 C ATOM 669 NE ARG A 44 -1.038 -14.673 6.455 1.00 0.00 N ATOM 670 CZ ARG A 44 -1.904 -14.500 7.416 1.00 0.00 C ATOM 671 NH1 ARG A 44 -3.165 -14.322 7.134 1.00 0.00 N ATOM 672 NH2 ARG A 44 -1.508 -14.503 8.659 1.00 0.00 N ATOM 0 H ARG A 44 0.482 -9.285 4.552 1.00 0.00 H new ATOM 0 HA ARG A 44 1.801 -11.842 5.418 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.676 -11.245 3.747 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.139 -12.794 3.653 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.741 -11.577 6.314 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.788 -12.620 5.373 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.701 -13.985 5.442 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.507 -13.343 7.061 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.048 -15.534 5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.475 -14.318 6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.841 -14.187 7.885 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.522 -14.641 8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.185 -14.368 9.410 1.00 0.00 H new ATOM 686 N ILE A 45 2.198 -10.032 2.769 1.00 0.00 N ATOM 687 CA ILE A 45 3.034 -9.884 1.543 1.00 0.00 C ATOM 688 C ILE A 45 4.447 -9.442 1.935 1.00 0.00 C ATOM 689 O ILE A 45 5.424 -9.881 1.364 1.00 0.00 O ATOM 690 CB ILE A 45 2.399 -8.837 0.618 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.193 -9.454 -0.097 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.421 -8.375 -0.424 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.326 -8.342 -0.690 1.00 0.00 C ATOM 0 H ILE A 45 1.684 -9.196 3.047 1.00 0.00 H new ATOM 0 HA ILE A 45 3.091 -10.840 1.022 1.00 0.00 H new ATOM 0 HB ILE A 45 2.078 -7.982 1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.530 -10.127 -0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.608 -10.051 0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.964 -7.632 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.281 -7.935 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.747 -9.229 -1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.532 -8.782 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.022 -7.687 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.913 -7.764 -1.403 1.00 0.00 H new ATOM 705 N ARG A 46 4.566 -8.574 2.903 1.00 0.00 N ATOM 706 CA ARG A 46 5.918 -8.105 3.319 1.00 0.00 C ATOM 707 C ARG A 46 6.511 -9.076 4.345 1.00 0.00 C ATOM 708 O ARG A 46 7.707 -9.117 4.552 1.00 0.00 O ATOM 709 CB ARG A 46 5.811 -6.712 3.942 1.00 0.00 C ATOM 710 CG ARG A 46 7.185 -6.276 4.458 1.00 0.00 C ATOM 711 CD ARG A 46 7.110 -4.834 4.962 1.00 0.00 C ATOM 712 NE ARG A 46 8.397 -4.141 4.671 1.00 0.00 N ATOM 713 CZ ARG A 46 8.646 -2.975 5.201 1.00 0.00 C ATOM 714 NH1 ARG A 46 9.663 -2.825 6.005 1.00 0.00 N ATOM 715 NH2 ARG A 46 7.877 -1.957 4.928 1.00 0.00 N ATOM 0 H ARG A 46 3.787 -8.170 3.423 1.00 0.00 H new ATOM 0 HA ARG A 46 6.566 -8.063 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.445 -5.999 3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.090 -6.722 4.760 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.509 -6.937 5.262 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.926 -6.356 3.662 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.285 -4.311 4.479 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.912 -4.821 6.034 1.00 0.00 H new ATOM 0 HE ARG A 46 9.084 -4.579 4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.265 -3.620 6.220 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.856 -1.913 6.418 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.081 -2.073 4.300 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.071 -1.045 5.342 1.00 0.00 H new ATOM 729 N THR A 47 5.688 -9.857 4.990 1.00 0.00 N ATOM 730 CA THR A 47 6.216 -10.818 5.999 1.00 0.00 C ATOM 731 C THR A 47 6.558 -12.144 5.315 1.00 0.00 C ATOM 732 O THR A 47 7.610 -12.711 5.531 1.00 0.00 O ATOM 733 CB THR A 47 5.160 -11.053 7.084 1.00 0.00 C ATOM 734 OG1 THR A 47 5.770 -11.677 8.208 1.00 0.00 O ATOM 735 CG2 THR A 47 4.045 -11.949 6.534 1.00 0.00 C ATOM 0 H THR A 47 4.676 -9.871 4.862 1.00 0.00 H new ATOM 0 HA THR A 47 7.116 -10.407 6.455 1.00 0.00 H new ATOM 0 HB THR A 47 4.731 -10.098 7.388 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.097 -11.827 8.904 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.296 -12.114 7.308 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.579 -11.465 5.676 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.466 -12.906 6.226 1.00 0.00 H new ATOM 743 N ASP A 48 5.676 -12.643 4.492 1.00 0.00 N ATOM 744 CA ASP A 48 5.951 -13.931 3.795 1.00 0.00 C ATOM 745 C ASP A 48 6.545 -13.644 2.414 1.00 0.00 C ATOM 746 O ASP A 48 7.481 -14.289 1.983 1.00 0.00 O ATOM 747 CB ASP A 48 4.646 -14.714 3.635 1.00 0.00 C ATOM 748 CG ASP A 48 4.918 -16.209 3.808 1.00 0.00 C ATOM 749 OD1 ASP A 48 5.818 -16.707 3.152 1.00 0.00 O ATOM 750 OD2 ASP A 48 4.222 -16.831 4.592 1.00 0.00 O ATOM 0 H ASP A 48 4.777 -12.214 4.272 1.00 0.00 H new ATOM 0 HA ASP A 48 6.657 -14.519 4.381 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.917 -14.379 4.373 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.215 -14.524 2.652 1.00 0.00 H new ATOM 755 N GLU A 49 6.007 -12.682 1.716 1.00 0.00 N ATOM 756 CA GLU A 49 6.540 -12.354 0.364 1.00 0.00 C ATOM 757 C GLU A 49 7.709 -11.377 0.498 1.00 0.00 C ATOM 758 O GLU A 49 8.384 -11.337 1.507 1.00 0.00 O ATOM 759 CB GLU A 49 5.434 -11.717 -0.480 1.00 0.00 C ATOM 760 CG GLU A 49 5.417 -12.359 -1.868 1.00 0.00 C ATOM 761 CD GLU A 49 4.155 -13.209 -2.022 1.00 0.00 C ATOM 762 OE1 GLU A 49 3.949 -14.083 -1.197 1.00 0.00 O ATOM 763 OE2 GLU A 49 3.415 -12.971 -2.961 1.00 0.00 O ATOM 0 H GLU A 49 5.221 -12.109 2.024 1.00 0.00 H new ATOM 0 HA GLU A 49 6.886 -13.267 -0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.468 -11.851 0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.601 -10.643 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.445 -11.587 -2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.304 -12.978 -2.005 1.00 0.00 H new ATOM 770 N ASN A 50 7.954 -10.588 -0.513 1.00 0.00 N ATOM 771 CA ASN A 50 9.081 -9.615 -0.443 1.00 0.00 C ATOM 772 C ASN A 50 8.546 -8.240 -0.036 1.00 0.00 C ATOM 773 O ASN A 50 9.247 -7.443 0.557 1.00 0.00 O ATOM 774 CB ASN A 50 9.752 -9.517 -1.814 1.00 0.00 C ATOM 775 CG ASN A 50 11.215 -9.106 -1.640 1.00 0.00 C ATOM 776 OD1 ASN A 50 12.088 -9.947 -1.542 1.00 0.00 O ATOM 777 ND2 ASN A 50 11.524 -7.839 -1.599 1.00 0.00 N ATOM 0 H ASN A 50 7.423 -10.575 -1.384 1.00 0.00 H new ATOM 0 HA ASN A 50 9.808 -9.953 0.296 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.692 -10.476 -2.329 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.230 -8.788 -2.434 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.497 -7.555 -1.485 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.793 -7.133 -1.681 1.00 0.00 H new ATOM 784 N GLY A 51 7.311 -7.957 -0.346 1.00 0.00 N ATOM 785 CA GLY A 51 6.734 -6.634 0.027 1.00 0.00 C ATOM 786 C GLY A 51 6.764 -5.700 -1.184 1.00 0.00 C ATOM 787 O GLY A 51 6.929 -4.505 -1.053 1.00 0.00 O ATOM 0 H GLY A 51 6.677 -8.584 -0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.709 -6.759 0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.301 -6.198 0.849 1.00 0.00 H new ATOM 791 N LEU A 52 6.607 -6.235 -2.365 1.00 0.00 N ATOM 792 CA LEU A 52 6.631 -5.372 -3.578 1.00 0.00 C ATOM 793 C LEU A 52 5.200 -5.075 -4.028 1.00 0.00 C ATOM 794 O LEU A 52 4.251 -5.662 -3.551 1.00 0.00 O ATOM 795 CB LEU A 52 7.373 -6.089 -4.709 1.00 0.00 C ATOM 796 CG LEU A 52 8.884 -5.986 -4.490 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.610 -6.508 -5.730 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.271 -4.524 -4.254 1.00 0.00 C ATOM 0 H LEU A 52 6.464 -7.229 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 52 7.142 -4.439 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.073 -7.136 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.105 -5.647 -5.669 1.00 0.00 H new ATOM 0 HG LEU A 52 9.166 -6.580 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.687 -6.436 -5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.336 -7.549 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.325 -5.911 -6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.347 -4.453 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.990 -3.928 -5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.751 -4.148 -3.373 1.00 0.00 H new ATOM 810 N CYS A 53 5.044 -4.163 -4.947 1.00 0.00 N ATOM 811 CA CYS A 53 3.684 -3.811 -5.440 1.00 0.00 C ATOM 812 C CYS A 53 3.330 -4.686 -6.651 1.00 0.00 C ATOM 813 O CYS A 53 3.969 -4.592 -7.679 1.00 0.00 O ATOM 814 CB CYS A 53 3.675 -2.339 -5.860 1.00 0.00 C ATOM 815 SG CYS A 53 2.017 -1.867 -6.412 1.00 0.00 S ATOM 0 H CYS A 53 5.807 -3.643 -5.381 1.00 0.00 H new ATOM 0 HA CYS A 53 2.953 -3.979 -4.649 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.982 -1.711 -5.024 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.395 -2.176 -6.662 1.00 0.00 H new ATOM 0 HG CYS A 53 2.108 -0.921 -7.299 1.00 0.00 H new ATOM 820 N PRO A 54 2.318 -5.506 -6.501 1.00 0.00 N ATOM 821 CA PRO A 54 1.860 -6.396 -7.584 1.00 0.00 C ATOM 822 C PRO A 54 0.996 -5.616 -8.579 1.00 0.00 C ATOM 823 O PRO A 54 0.386 -6.181 -9.465 1.00 0.00 O ATOM 824 CB PRO A 54 1.021 -7.447 -6.851 1.00 0.00 C ATOM 825 CG PRO A 54 0.574 -6.797 -5.519 1.00 0.00 C ATOM 826 CD PRO A 54 1.544 -5.631 -5.249 1.00 0.00 C ATOM 0 HA PRO A 54 2.678 -6.831 -8.159 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.158 -7.741 -7.449 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.604 -8.350 -6.667 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.453 -6.438 -5.589 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.604 -7.522 -4.705 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.007 -4.711 -5.020 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.193 -5.842 -4.399 1.00 0.00 H new ATOM 834 N ALA A 55 0.928 -4.320 -8.430 1.00 0.00 N ATOM 835 CA ALA A 55 0.093 -3.502 -9.354 1.00 0.00 C ATOM 836 C ALA A 55 0.974 -2.557 -10.180 1.00 0.00 C ATOM 837 O ALA A 55 0.598 -2.141 -11.258 1.00 0.00 O ATOM 838 CB ALA A 55 -0.903 -2.678 -8.533 1.00 0.00 C ATOM 0 H ALA A 55 1.416 -3.792 -7.706 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.440 -4.168 -10.033 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.517 -2.077 -9.203 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.542 -3.348 -7.958 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.359 -2.022 -7.853 1.00 0.00 H new ATOM 844 N CYS A 56 2.134 -2.199 -9.692 1.00 0.00 N ATOM 845 CA CYS A 56 3.000 -1.271 -10.477 1.00 0.00 C ATOM 846 C CYS A 56 4.485 -1.555 -10.204 1.00 0.00 C ATOM 847 O CYS A 56 5.347 -0.777 -10.561 1.00 0.00 O ATOM 848 CB CYS A 56 2.648 0.184 -10.104 1.00 0.00 C ATOM 849 SG CYS A 56 3.645 0.757 -8.696 1.00 0.00 S ATOM 0 H CYS A 56 2.515 -2.504 -8.796 1.00 0.00 H new ATOM 0 HA CYS A 56 2.822 -1.425 -11.541 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.818 0.834 -10.962 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.589 0.253 -9.856 1.00 0.00 H new ATOM 0 HG CYS A 56 4.905 0.561 -8.948 1.00 0.00 H new ATOM 854 N ARG A 57 4.792 -2.654 -9.573 1.00 0.00 N ATOM 855 CA ARG A 57 6.222 -2.965 -9.283 1.00 0.00 C ATOM 856 C ARG A 57 6.833 -1.825 -8.463 1.00 0.00 C ATOM 857 O ARG A 57 7.438 -0.917 -8.998 1.00 0.00 O ATOM 858 CB ARG A 57 6.992 -3.113 -10.598 1.00 0.00 C ATOM 859 CG ARG A 57 6.192 -3.985 -11.565 1.00 0.00 C ATOM 860 CD ARG A 57 7.064 -5.145 -12.045 1.00 0.00 C ATOM 861 NE ARG A 57 6.672 -6.390 -11.327 1.00 0.00 N ATOM 862 CZ ARG A 57 7.532 -6.995 -10.556 1.00 0.00 C ATOM 863 NH1 ARG A 57 7.370 -6.981 -9.261 1.00 0.00 N ATOM 864 NH2 ARG A 57 8.555 -7.612 -11.080 1.00 0.00 N ATOM 0 H ARG A 57 4.119 -3.348 -9.247 1.00 0.00 H new ATOM 0 HA ARG A 57 6.284 -3.896 -8.720 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.170 -2.132 -11.039 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.968 -3.561 -10.411 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.298 -4.368 -11.072 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.858 -3.391 -12.416 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.948 -5.281 -13.120 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.116 -4.923 -11.863 1.00 0.00 H new ATOM 0 HE ARG A 57 5.732 -6.769 -11.438 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.571 -6.497 -8.852 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.043 -7.454 -8.658 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.682 -7.621 -12.092 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.228 -8.086 -10.478 1.00 0.00 H new ATOM 878 N LYS A 58 6.678 -1.865 -7.169 1.00 0.00 N ATOM 879 CA LYS A 58 7.247 -0.787 -6.311 1.00 0.00 C ATOM 880 C LYS A 58 7.392 -1.309 -4.877 1.00 0.00 C ATOM 881 O LYS A 58 6.525 -2.001 -4.385 1.00 0.00 O ATOM 882 CB LYS A 58 6.308 0.421 -6.319 1.00 0.00 C ATOM 883 CG LYS A 58 6.910 1.531 -7.183 1.00 0.00 C ATOM 884 CD LYS A 58 7.316 2.709 -6.293 1.00 0.00 C ATOM 885 CE LYS A 58 8.743 3.138 -6.637 1.00 0.00 C ATOM 886 NZ LYS A 58 8.786 4.616 -6.819 1.00 0.00 N ATOM 0 H LYS A 58 6.180 -2.600 -6.667 1.00 0.00 H new ATOM 0 HA LYS A 58 8.223 -0.490 -6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.331 0.133 -6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.153 0.781 -5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.778 1.155 -7.724 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.186 1.858 -7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.629 3.543 -6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.253 2.424 -5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.426 2.839 -5.842 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.075 2.639 -7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.756 4.909 -7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.146 4.889 -7.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.486 5.083 -5.939 1.00 0.00 H new ATOM 900 N PRO A 59 8.482 -0.962 -4.244 1.00 0.00 N ATOM 901 CA PRO A 59 8.759 -1.390 -2.863 1.00 0.00 C ATOM 902 C PRO A 59 7.924 -0.575 -1.870 1.00 0.00 C ATOM 903 O PRO A 59 8.072 0.625 -1.760 1.00 0.00 O ATOM 904 CB PRO A 59 10.254 -1.109 -2.692 1.00 0.00 C ATOM 905 CG PRO A 59 10.620 -0.040 -3.749 1.00 0.00 C ATOM 906 CD PRO A 59 9.534 -0.112 -4.838 1.00 0.00 C ATOM 0 HA PRO A 59 8.506 -2.434 -2.678 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.469 -0.750 -1.686 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.839 -2.017 -2.839 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.655 0.953 -3.301 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.606 -0.234 -4.171 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.153 0.878 -5.087 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.922 -0.545 -5.760 1.00 0.00 H new ATOM 914 N TYR A 60 7.046 -1.228 -1.152 1.00 0.00 N ATOM 915 CA TYR A 60 6.190 -0.506 -0.162 1.00 0.00 C ATOM 916 C TYR A 60 7.020 0.566 0.559 1.00 0.00 C ATOM 917 O TYR A 60 8.143 0.311 0.944 1.00 0.00 O ATOM 918 CB TYR A 60 5.662 -1.507 0.871 1.00 0.00 C ATOM 919 CG TYR A 60 4.920 -2.629 0.176 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.466 -2.469 -1.141 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.677 -3.828 0.857 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.772 -3.508 -1.773 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.981 -4.865 0.225 1.00 0.00 C ATOM 924 CZ TYR A 60 3.529 -4.706 -1.090 1.00 0.00 C ATOM 925 OH TYR A 60 2.841 -5.728 -1.710 1.00 0.00 O ATOM 0 H TYR A 60 6.884 -2.234 -1.209 1.00 0.00 H new ATOM 0 HA TYR A 60 5.358 -0.032 -0.683 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.490 -1.913 1.452 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.998 -1.002 1.573 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.652 -1.545 -1.668 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.027 -3.953 1.871 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.424 -3.385 -2.788 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.793 -5.788 0.752 1.00 0.00 H new ATOM 0 HH TYR A 60 3.425 -6.167 -2.363 1.00 0.00 H new ATOM 935 N PRO A 61 6.446 1.735 0.720 1.00 0.00 N ATOM 936 CA PRO A 61 7.119 2.861 1.390 1.00 0.00 C ATOM 937 C PRO A 61 6.979 2.734 2.911 1.00 0.00 C ATOM 938 O PRO A 61 5.930 2.388 3.419 1.00 0.00 O ATOM 939 CB PRO A 61 6.355 4.086 0.883 1.00 0.00 C ATOM 940 CG PRO A 61 4.962 3.578 0.435 1.00 0.00 C ATOM 941 CD PRO A 61 5.081 2.052 0.247 1.00 0.00 C ATOM 0 HA PRO A 61 8.187 2.909 1.180 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.261 4.837 1.667 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.882 4.556 0.053 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.205 3.817 1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.656 4.059 -0.494 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.325 1.519 0.824 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.945 1.767 -0.796 1.00 0.00 H new