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 -129:sc= -0.456 USER MOD Set 1.2: A 33 CYS SG : rot -143:sc= 0.343 USER MOD Set 1.3: A 53 CYS SG : rot 60:sc= 0.675 USER MOD Set 1.4: A 56 CYS SG : rot -67:sc= -4.48! USER MOD Set 2.1: A 14 CYS SG : rot 165:sc= -2.77! USER MOD Set 2.2: A 17 CYS SG : rot -70:sc= 1.01 USER MOD Set 2.3: A 38 CYS SG : rot -138:sc= 0.653 USER MOD Set 2.4: A 41 CYS SG : rot 102:sc= -0.863 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.4) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00317 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.402 USER MOD Single : A 36 GLN : amide:sc= -1.12 K(o=-1.1,f=-3.6!) USER MOD Single : A 43 HIS : no HE2:sc= -5.84! C(o=-5.8!,f=-7.9!) USER MOD Single : A 47 THR OG1 : rot 153:sc= 0.876 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 58:sc= 0.299 USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -14.016 0.373 -2.977 1.00 0.00 N ATOM 166 CA VAL A 12 -13.000 0.494 -1.885 1.00 0.00 C ATOM 167 C VAL A 12 -12.846 -0.836 -1.138 1.00 0.00 C ATOM 168 O VAL A 12 -12.986 -0.905 0.065 1.00 0.00 O ATOM 169 CB VAL A 12 -13.415 1.599 -0.910 1.00 0.00 C ATOM 170 CG1 VAL A 12 -14.715 1.214 -0.211 1.00 0.00 C ATOM 171 CG2 VAL A 12 -12.314 1.793 0.136 1.00 0.00 C ATOM 0 HA VAL A 12 -12.039 0.750 -2.331 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.566 2.527 -1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.004 2.005 0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.501 1.077 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.570 0.285 0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.607 2.579 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.164 0.862 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.386 2.076 -0.361 1.00 0.00 H new ATOM 181 N GLU A 13 -12.548 -1.894 -1.843 1.00 0.00 N ATOM 182 CA GLU A 13 -12.380 -3.214 -1.170 1.00 0.00 C ATOM 183 C GLU A 13 -11.042 -3.835 -1.585 1.00 0.00 C ATOM 184 O GLU A 13 -10.655 -3.783 -2.736 1.00 0.00 O ATOM 185 CB GLU A 13 -13.524 -4.145 -1.581 1.00 0.00 C ATOM 186 CG GLU A 13 -13.356 -4.541 -3.049 1.00 0.00 C ATOM 187 CD GLU A 13 -14.640 -5.206 -3.548 1.00 0.00 C ATOM 188 OE1 GLU A 13 -15.171 -6.037 -2.830 1.00 0.00 O ATOM 189 OE2 GLU A 13 -15.071 -4.871 -4.639 1.00 0.00 O ATOM 0 H GLU A 13 -12.414 -1.901 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.395 -3.074 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.527 -5.035 -0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.483 -3.647 -1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.132 -3.660 -3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.514 -5.224 -3.158 1.00 0.00 H new ATOM 196 N CYS A 14 -10.336 -4.425 -0.658 1.00 0.00 N ATOM 197 CA CYS A 14 -9.027 -5.052 -1.003 1.00 0.00 C ATOM 198 C CYS A 14 -9.207 -5.948 -2.235 1.00 0.00 C ATOM 199 O CYS A 14 -9.834 -6.984 -2.151 1.00 0.00 O ATOM 200 CB CYS A 14 -8.543 -5.898 0.179 1.00 0.00 C ATOM 201 SG CYS A 14 -6.890 -6.550 -0.175 1.00 0.00 S ATOM 0 H CYS A 14 -10.609 -4.500 0.322 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.292 -4.277 -1.219 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.520 -5.294 1.086 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.237 -6.719 0.360 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.350 -6.985 0.925 1.00 0.00 H new ATOM 206 N PRO A 15 -8.661 -5.518 -3.347 1.00 0.00 N ATOM 207 CA PRO A 15 -8.757 -6.265 -4.615 1.00 0.00 C ATOM 208 C PRO A 15 -7.763 -7.433 -4.652 1.00 0.00 C ATOM 209 O PRO A 15 -7.526 -8.018 -5.689 1.00 0.00 O ATOM 210 CB PRO A 15 -8.397 -5.219 -5.674 1.00 0.00 C ATOM 211 CG PRO A 15 -7.580 -4.124 -4.947 1.00 0.00 C ATOM 212 CD PRO A 15 -7.903 -4.254 -3.447 1.00 0.00 C ATOM 0 HA PRO A 15 -9.741 -6.709 -4.765 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.815 -5.667 -6.480 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.296 -4.798 -6.125 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.513 -4.255 -5.126 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.846 -3.133 -5.316 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.995 -4.286 -2.845 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.491 -3.408 -3.092 1.00 0.00 H new ATOM 220 N LEU A 16 -7.182 -7.782 -3.536 1.00 0.00 N ATOM 221 CA LEU A 16 -6.211 -8.913 -3.533 1.00 0.00 C ATOM 222 C LEU A 16 -6.778 -10.069 -2.707 1.00 0.00 C ATOM 223 O LEU A 16 -6.451 -11.218 -2.926 1.00 0.00 O ATOM 224 CB LEU A 16 -4.887 -8.448 -2.927 1.00 0.00 C ATOM 225 CG LEU A 16 -4.534 -7.068 -3.481 1.00 0.00 C ATOM 226 CD1 LEU A 16 -4.368 -6.082 -2.325 1.00 0.00 C ATOM 227 CD2 LEU A 16 -3.225 -7.152 -4.271 1.00 0.00 C ATOM 0 H LEU A 16 -7.336 -7.336 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.040 -9.249 -4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.966 -8.407 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.096 -9.160 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.333 -6.727 -4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.116 -5.098 -2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.300 -6.020 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.569 -6.424 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.974 -6.167 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.425 -7.494 -3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.342 -7.854 -5.096 1.00 0.00 H new ATOM 239 N CYS A 17 -7.632 -9.777 -1.766 1.00 0.00 N ATOM 240 CA CYS A 17 -8.225 -10.862 -0.937 1.00 0.00 C ATOM 241 C CYS A 17 -9.735 -10.636 -0.816 1.00 0.00 C ATOM 242 O CYS A 17 -10.430 -11.358 -0.128 1.00 0.00 O ATOM 243 CB CYS A 17 -7.570 -10.868 0.454 1.00 0.00 C ATOM 244 SG CYS A 17 -8.285 -9.567 1.496 1.00 0.00 S ATOM 0 H CYS A 17 -7.945 -8.834 -1.535 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.046 -11.828 -1.410 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.713 -11.840 0.926 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.495 -10.715 0.357 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.902 -8.403 1.061 1.00 0.00 H new ATOM 249 N MET A 18 -10.245 -9.637 -1.484 1.00 0.00 N ATOM 250 CA MET A 18 -11.703 -9.356 -1.417 1.00 0.00 C ATOM 251 C MET A 18 -12.101 -9.042 0.027 1.00 0.00 C ATOM 252 O MET A 18 -12.061 -9.893 0.893 1.00 0.00 O ATOM 253 CB MET A 18 -12.485 -10.574 -1.913 1.00 0.00 C ATOM 254 CG MET A 18 -13.715 -10.104 -2.693 1.00 0.00 C ATOM 255 SD MET A 18 -15.010 -11.365 -2.598 1.00 0.00 S ATOM 256 CE MET A 18 -16.423 -10.239 -2.679 1.00 0.00 C ATOM 0 H MET A 18 -9.710 -9.002 -2.076 1.00 0.00 H new ATOM 0 HA MET A 18 -11.934 -8.498 -2.049 1.00 0.00 H new ATOM 0 HB2 MET A 18 -11.852 -11.192 -2.549 1.00 0.00 H new ATOM 0 HB3 MET A 18 -12.790 -11.193 -1.069 1.00 0.00 H new ATOM 0 HG2 MET A 18 -14.080 -9.162 -2.284 1.00 0.00 H new ATOM 0 HG3 MET A 18 -13.449 -9.918 -3.734 1.00 0.00 H new ATOM 0 HE1 MET A 18 -17.349 -10.813 -2.635 1.00 0.00 H new ATOM 0 HE2 MET A 18 -16.385 -9.547 -1.838 1.00 0.00 H new ATOM 0 HE3 MET A 18 -16.388 -9.678 -3.613 1.00 0.00 H new ATOM 266 N GLU A 19 -12.487 -7.825 0.288 1.00 0.00 N ATOM 267 CA GLU A 19 -12.891 -7.447 1.671 1.00 0.00 C ATOM 268 C GLU A 19 -13.279 -5.965 1.692 1.00 0.00 C ATOM 269 O GLU A 19 -12.693 -5.165 0.990 1.00 0.00 O ATOM 270 CB GLU A 19 -11.723 -7.685 2.630 1.00 0.00 C ATOM 271 CG GLU A 19 -12.138 -8.697 3.700 1.00 0.00 C ATOM 272 CD GLU A 19 -11.031 -9.739 3.878 1.00 0.00 C ATOM 273 OE1 GLU A 19 -11.068 -10.739 3.181 1.00 0.00 O ATOM 274 OE2 GLU A 19 -10.167 -9.518 4.711 1.00 0.00 O ATOM 0 H GLU A 19 -12.540 -7.073 -0.399 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.741 -8.054 1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.857 -8.055 2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.426 -6.746 3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.326 -8.186 4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.068 -9.186 3.411 1.00 0.00 H new ATOM 281 N PRO A 20 -14.259 -5.644 2.497 1.00 0.00 N ATOM 282 CA PRO A 20 -14.752 -4.263 2.631 1.00 0.00 C ATOM 283 C PRO A 20 -13.799 -3.437 3.495 1.00 0.00 C ATOM 284 O PRO A 20 -13.681 -3.645 4.686 1.00 0.00 O ATOM 285 CB PRO A 20 -16.110 -4.428 3.315 1.00 0.00 C ATOM 286 CG PRO A 20 -16.073 -5.798 4.033 1.00 0.00 C ATOM 287 CD PRO A 20 -14.965 -6.623 3.350 1.00 0.00 C ATOM 0 HA PRO A 20 -14.825 -3.740 1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -16.287 -3.621 4.026 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.919 -4.393 2.586 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.864 -5.673 5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.036 -6.303 3.955 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.293 -7.071 4.082 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.382 -7.438 2.759 1.00 0.00 H new ATOM 295 N LEU A 21 -13.118 -2.500 2.898 1.00 0.00 N ATOM 296 CA LEU A 21 -12.170 -1.653 3.672 1.00 0.00 C ATOM 297 C LEU A 21 -12.944 -0.835 4.706 1.00 0.00 C ATOM 298 O LEU A 21 -14.146 -0.683 4.618 1.00 0.00 O ATOM 299 CB LEU A 21 -11.449 -0.699 2.720 1.00 0.00 C ATOM 300 CG LEU A 21 -10.296 -1.429 2.035 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.104 -0.867 0.628 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.016 -1.220 2.842 1.00 0.00 C ATOM 0 H LEU A 21 -13.178 -2.284 1.903 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.444 -2.291 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.146 -0.319 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.071 0.162 3.270 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.522 -2.494 1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.281 -1.387 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.018 -1.009 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.876 0.197 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.190 -1.740 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.791 -0.155 2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.152 -1.616 3.848 1.00 0.00 H new ATOM 314 N GLU A 22 -12.261 -0.300 5.678 1.00 0.00 N ATOM 315 CA GLU A 22 -12.951 0.521 6.711 1.00 0.00 C ATOM 316 C GLU A 22 -12.748 2.002 6.387 1.00 0.00 C ATOM 317 O GLU A 22 -11.863 2.368 5.640 1.00 0.00 O ATOM 318 CB GLU A 22 -12.364 0.211 8.091 1.00 0.00 C ATOM 319 CG GLU A 22 -13.426 -0.472 8.957 1.00 0.00 C ATOM 320 CD GLU A 22 -13.668 0.354 10.223 1.00 0.00 C ATOM 321 OE1 GLU A 22 -12.876 1.243 10.489 1.00 0.00 O ATOM 322 OE2 GLU A 22 -14.643 0.083 10.905 1.00 0.00 O ATOM 0 H GLU A 22 -11.253 -0.396 5.802 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.016 0.288 6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.492 -0.435 7.990 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.026 1.131 8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.355 -0.576 8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.100 -1.477 9.224 1.00 0.00 H new ATOM 329 N ILE A 23 -13.562 2.856 6.940 1.00 0.00 N ATOM 330 CA ILE A 23 -13.422 4.313 6.661 1.00 0.00 C ATOM 331 C ILE A 23 -11.995 4.769 6.988 1.00 0.00 C ATOM 332 O ILE A 23 -11.405 5.553 6.270 1.00 0.00 O ATOM 333 CB ILE A 23 -14.428 5.084 7.528 1.00 0.00 C ATOM 334 CG1 ILE A 23 -15.815 5.013 6.881 1.00 0.00 C ATOM 335 CG2 ILE A 23 -14.002 6.550 7.652 1.00 0.00 C ATOM 336 CD1 ILE A 23 -16.126 3.568 6.488 1.00 0.00 C ATOM 0 H ILE A 23 -14.321 2.608 7.575 1.00 0.00 H new ATOM 0 HA ILE A 23 -13.620 4.508 5.607 1.00 0.00 H new ATOM 0 HB ILE A 23 -14.459 4.636 8.521 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -16.570 5.382 7.575 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -15.850 5.655 6.001 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -14.722 7.087 8.269 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.016 6.605 8.114 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -13.964 7.003 6.661 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -17.113 3.520 6.028 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -15.378 3.215 5.779 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -16.109 2.937 7.377 1.00 0.00 H new ATOM 348 N ASP A 24 -11.443 4.298 8.072 1.00 0.00 N ATOM 349 CA ASP A 24 -10.063 4.717 8.453 1.00 0.00 C ATOM 350 C ASP A 24 -9.023 3.932 7.647 1.00 0.00 C ATOM 351 O ASP A 24 -7.879 4.331 7.544 1.00 0.00 O ATOM 352 CB ASP A 24 -9.848 4.453 9.945 1.00 0.00 C ATOM 353 CG ASP A 24 -11.158 4.687 10.700 1.00 0.00 C ATOM 354 OD1 ASP A 24 -11.930 5.524 10.262 1.00 0.00 O ATOM 355 OD2 ASP A 24 -11.366 4.024 11.703 1.00 0.00 O ATOM 0 H ASP A 24 -11.888 3.640 8.712 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.947 5.780 8.240 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.506 3.430 10.098 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.070 5.111 10.333 1.00 0.00 H new ATOM 360 N ASP A 25 -9.397 2.818 7.080 1.00 0.00 N ATOM 361 CA ASP A 25 -8.411 2.019 6.293 1.00 0.00 C ATOM 362 C ASP A 25 -8.570 2.323 4.803 1.00 0.00 C ATOM 363 O ASP A 25 -7.983 1.672 3.962 1.00 0.00 O ATOM 364 CB ASP A 25 -8.647 0.528 6.534 1.00 0.00 C ATOM 365 CG ASP A 25 -8.451 0.211 8.019 1.00 0.00 C ATOM 366 OD1 ASP A 25 -9.218 0.723 8.819 1.00 0.00 O ATOM 367 OD2 ASP A 25 -7.539 -0.537 8.329 1.00 0.00 O ATOM 0 H ASP A 25 -10.338 2.427 7.126 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.403 2.284 6.611 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.655 0.254 6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.956 -0.062 5.931 1.00 0.00 H new ATOM 372 N ILE A 26 -9.358 3.307 4.468 1.00 0.00 N ATOM 373 CA ILE A 26 -9.552 3.647 3.031 1.00 0.00 C ATOM 374 C ILE A 26 -8.244 4.209 2.460 1.00 0.00 C ATOM 375 O ILE A 26 -7.947 4.051 1.292 1.00 0.00 O ATOM 376 CB ILE A 26 -10.671 4.689 2.906 1.00 0.00 C ATOM 377 CG1 ILE A 26 -12.029 3.986 2.989 1.00 0.00 C ATOM 378 CG2 ILE A 26 -10.563 5.422 1.567 1.00 0.00 C ATOM 379 CD1 ILE A 26 -13.137 4.968 2.608 1.00 0.00 C ATOM 0 H ILE A 26 -9.875 3.890 5.126 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.829 2.753 2.472 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.576 5.412 3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -12.046 3.125 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.194 3.609 3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.363 6.159 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.598 5.925 1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.651 4.704 0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -14.103 4.467 2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.125 5.815 3.294 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.974 5.323 1.590 1.00 0.00 H new ATOM 391 N ASN A 27 -7.462 4.865 3.273 1.00 0.00 N ATOM 392 CA ASN A 27 -6.179 5.439 2.774 1.00 0.00 C ATOM 393 C ASN A 27 -5.013 4.554 3.215 1.00 0.00 C ATOM 394 O ASN A 27 -3.957 5.035 3.573 1.00 0.00 O ATOM 395 CB ASN A 27 -5.996 6.846 3.345 1.00 0.00 C ATOM 396 CG ASN A 27 -6.401 6.856 4.820 1.00 0.00 C ATOM 397 OD1 ASN A 27 -7.307 7.566 5.209 1.00 0.00 O ATOM 398 ND2 ASN A 27 -5.764 6.090 5.664 1.00 0.00 N ATOM 0 H ASN A 27 -7.655 5.029 4.261 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.203 5.487 1.685 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.957 7.160 3.240 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.602 7.558 2.786 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.027 6.088 6.649 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.003 5.494 5.338 1.00 0.00 H new ATOM 405 N PHE A 28 -5.193 3.262 3.189 1.00 0.00 N ATOM 406 CA PHE A 28 -4.092 2.348 3.602 1.00 0.00 C ATOM 407 C PHE A 28 -3.612 1.555 2.385 1.00 0.00 C ATOM 408 O PHE A 28 -4.264 0.634 1.934 1.00 0.00 O ATOM 409 CB PHE A 28 -4.598 1.381 4.673 1.00 0.00 C ATOM 410 CG PHE A 28 -3.488 0.428 5.047 1.00 0.00 C ATOM 411 CD1 PHE A 28 -2.477 0.839 5.924 1.00 0.00 C ATOM 412 CD2 PHE A 28 -3.468 -0.868 4.515 1.00 0.00 C ATOM 413 CE1 PHE A 28 -1.447 -0.043 6.270 1.00 0.00 C ATOM 414 CE2 PHE A 28 -2.436 -1.750 4.861 1.00 0.00 C ATOM 415 CZ PHE A 28 -1.426 -1.337 5.738 1.00 0.00 C ATOM 0 H PHE A 28 -6.055 2.800 2.900 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.267 2.934 4.008 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.930 1.934 5.552 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.460 0.826 4.301 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.492 1.838 6.334 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.247 -1.187 3.839 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.668 0.275 6.948 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.420 -2.749 4.451 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.630 -2.017 6.004 1.00 0.00 H new ATOM 425 N PHE A 29 -2.478 1.907 1.847 1.00 0.00 N ATOM 426 CA PHE A 29 -1.959 1.174 0.658 1.00 0.00 C ATOM 427 C PHE A 29 -0.548 0.663 0.948 1.00 0.00 C ATOM 428 O PHE A 29 0.215 1.312 1.635 1.00 0.00 O ATOM 429 CB PHE A 29 -1.911 2.111 -0.557 1.00 0.00 C ATOM 430 CG PHE A 29 -1.768 3.540 -0.093 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.525 4.017 0.344 1.00 0.00 C ATOM 432 CD2 PHE A 29 -2.884 4.383 -0.093 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.403 5.341 0.784 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.762 5.706 0.344 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.522 6.186 0.783 1.00 0.00 C ATOM 0 H PHE A 29 -1.888 2.670 2.179 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.621 0.335 0.444 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.074 1.843 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.819 2.000 -1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.336 3.366 0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.840 4.012 -0.431 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.553 5.711 1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.624 6.357 0.343 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.427 7.207 1.121 1.00 0.00 H new ATOM 445 N PRO A 30 -0.239 -0.485 0.404 1.00 0.00 N ATOM 446 CA PRO A 30 1.080 -1.107 0.575 1.00 0.00 C ATOM 447 C PRO A 30 2.091 -0.417 -0.342 1.00 0.00 C ATOM 448 O PRO A 30 3.284 -0.566 -0.192 1.00 0.00 O ATOM 449 CB PRO A 30 0.852 -2.561 0.151 1.00 0.00 C ATOM 450 CG PRO A 30 -0.401 -2.557 -0.757 1.00 0.00 C ATOM 451 CD PRO A 30 -1.175 -1.266 -0.430 1.00 0.00 C ATOM 0 HA PRO A 30 1.474 -1.031 1.588 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.718 -2.951 -0.384 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.700 -3.200 1.021 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.118 -2.583 -1.809 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.018 -3.436 -0.571 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.448 -0.725 -1.336 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.101 -1.481 0.104 1.00 0.00 H new ATOM 459 N CYS A 31 1.613 0.342 -1.289 1.00 0.00 N ATOM 460 CA CYS A 31 2.536 1.047 -2.219 1.00 0.00 C ATOM 461 C CYS A 31 2.113 2.513 -2.344 1.00 0.00 C ATOM 462 O CYS A 31 0.973 2.862 -2.112 1.00 0.00 O ATOM 463 CB CYS A 31 2.479 0.377 -3.589 1.00 0.00 C ATOM 464 SG CYS A 31 3.482 1.319 -4.761 1.00 0.00 S ATOM 0 H CYS A 31 0.620 0.504 -1.458 1.00 0.00 H new ATOM 0 HA CYS A 31 3.554 0.998 -1.833 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.846 -0.647 -3.521 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.447 0.324 -3.937 1.00 0.00 H new ATOM 0 HG CYS A 31 2.782 1.570 -5.827 1.00 0.00 H new ATOM 469 N THR A 32 3.026 3.378 -2.699 1.00 0.00 N ATOM 470 CA THR A 32 2.675 4.822 -2.826 1.00 0.00 C ATOM 471 C THR A 32 2.221 5.140 -4.254 1.00 0.00 C ATOM 472 O THR A 32 2.512 6.196 -4.780 1.00 0.00 O ATOM 473 CB THR A 32 3.900 5.674 -2.487 1.00 0.00 C ATOM 474 OG1 THR A 32 5.002 5.252 -3.280 1.00 0.00 O ATOM 475 CG2 THR A 32 4.244 5.516 -1.005 1.00 0.00 C ATOM 0 H THR A 32 3.998 3.147 -2.906 1.00 0.00 H new ATOM 0 HA THR A 32 1.861 5.046 -2.137 1.00 0.00 H new ATOM 0 HB THR A 32 3.682 6.722 -2.695 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.787 5.798 -3.066 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.117 6.124 -0.767 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.399 5.842 -0.399 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.462 4.470 -0.792 1.00 0.00 H new ATOM 483 N CYS A 33 1.502 4.252 -4.887 1.00 0.00 N ATOM 484 CA CYS A 33 1.034 4.541 -6.273 1.00 0.00 C ATOM 485 C CYS A 33 -0.494 4.591 -6.295 1.00 0.00 C ATOM 486 O CYS A 33 -1.094 5.124 -7.207 1.00 0.00 O ATOM 487 CB CYS A 33 1.540 3.460 -7.238 1.00 0.00 C ATOM 488 SG CYS A 33 0.612 1.925 -6.997 1.00 0.00 S ATOM 0 H CYS A 33 1.221 3.347 -4.509 1.00 0.00 H new ATOM 0 HA CYS A 33 1.430 5.505 -6.592 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.432 3.801 -8.267 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.602 3.282 -7.071 1.00 0.00 H new ATOM 0 HG CYS A 33 1.410 0.909 -7.137 1.00 0.00 H new ATOM 493 N GLY A 34 -1.132 4.051 -5.292 1.00 0.00 N ATOM 494 CA GLY A 34 -2.620 4.085 -5.258 1.00 0.00 C ATOM 495 C GLY A 34 -3.173 2.699 -4.926 1.00 0.00 C ATOM 496 O GLY A 34 -3.964 2.546 -4.016 1.00 0.00 O ATOM 0 H GLY A 34 -0.688 3.590 -4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.957 4.807 -4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.005 4.417 -6.222 1.00 0.00 H new ATOM 500 N TYR A 35 -2.776 1.689 -5.654 1.00 0.00 N ATOM 501 CA TYR A 35 -3.298 0.322 -5.367 1.00 0.00 C ATOM 502 C TYR A 35 -3.280 0.082 -3.859 1.00 0.00 C ATOM 503 O TYR A 35 -2.278 -0.305 -3.292 1.00 0.00 O ATOM 504 CB TYR A 35 -2.431 -0.730 -6.062 1.00 0.00 C ATOM 505 CG TYR A 35 -3.291 -1.920 -6.415 1.00 0.00 C ATOM 506 CD1 TYR A 35 -4.510 -1.726 -7.075 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.874 -3.216 -6.084 1.00 0.00 C ATOM 508 CE1 TYR A 35 -5.313 -2.824 -7.403 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.677 -4.316 -6.413 1.00 0.00 C ATOM 510 CZ TYR A 35 -4.897 -4.119 -7.072 1.00 0.00 C ATOM 511 OH TYR A 35 -5.689 -5.203 -7.395 1.00 0.00 O ATOM 0 H TYR A 35 -2.117 1.751 -6.430 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.319 0.243 -5.742 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.980 -0.311 -6.962 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.614 -1.036 -5.408 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.831 -0.727 -7.331 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.933 -3.367 -5.575 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.254 -2.672 -7.911 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.355 -5.315 -6.159 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.253 -6.028 -7.095 1.00 0.00 H new ATOM 521 N GLN A 36 -4.385 0.310 -3.205 1.00 0.00 N ATOM 522 CA GLN A 36 -4.433 0.099 -1.734 1.00 0.00 C ATOM 523 C GLN A 36 -4.858 -1.338 -1.445 1.00 0.00 C ATOM 524 O GLN A 36 -5.220 -2.082 -2.336 1.00 0.00 O ATOM 525 CB GLN A 36 -5.440 1.067 -1.106 1.00 0.00 C ATOM 526 CG GLN A 36 -5.466 2.371 -1.907 1.00 0.00 C ATOM 527 CD GLN A 36 -6.383 3.382 -1.215 1.00 0.00 C ATOM 528 OE1 GLN A 36 -5.936 4.173 -0.408 1.00 0.00 O ATOM 529 NE2 GLN A 36 -7.657 3.389 -1.499 1.00 0.00 N ATOM 0 H GLN A 36 -5.256 0.633 -3.627 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.446 0.282 -1.308 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.433 0.617 -1.092 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.168 1.270 -0.070 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.458 2.778 -1.991 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.818 2.180 -2.921 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.032 2.725 -2.176 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.277 4.058 -1.044 1.00 0.00 H new ATOM 538 N ILE A 37 -4.815 -1.739 -0.207 1.00 0.00 N ATOM 539 CA ILE A 37 -5.213 -3.128 0.136 1.00 0.00 C ATOM 540 C ILE A 37 -5.715 -3.164 1.582 1.00 0.00 C ATOM 541 O ILE A 37 -5.864 -2.141 2.219 1.00 0.00 O ATOM 542 CB ILE A 37 -4.002 -4.051 -0.034 1.00 0.00 C ATOM 543 CG1 ILE A 37 -3.064 -3.907 1.169 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.247 -3.661 -1.307 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.911 -4.902 1.040 1.00 0.00 C ATOM 0 H ILE A 37 -4.521 -1.163 0.582 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.012 -3.466 -0.523 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.344 -5.084 -0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.676 -2.890 1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.612 -4.087 2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.384 -4.315 -1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.908 -3.763 -2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.911 -2.627 -1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.244 -4.799 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.308 -5.917 1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.358 -4.701 0.123 1.00 0.00 H new ATOM 557 N CYS A 38 -5.976 -4.328 2.107 1.00 0.00 N ATOM 558 CA CYS A 38 -6.466 -4.408 3.509 1.00 0.00 C ATOM 559 C CYS A 38 -5.265 -4.539 4.454 1.00 0.00 C ATOM 560 O CYS A 38 -4.134 -4.638 4.022 1.00 0.00 O ATOM 561 CB CYS A 38 -7.406 -5.610 3.658 1.00 0.00 C ATOM 562 SG CYS A 38 -6.452 -7.146 3.669 1.00 0.00 S ATOM 0 H CYS A 38 -5.872 -5.223 1.628 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.019 -3.504 3.763 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.979 -5.522 4.581 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.124 -5.624 2.838 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.058 -8.038 2.943 1.00 0.00 H new ATOM 567 N ARG A 39 -5.494 -4.520 5.736 1.00 0.00 N ATOM 568 CA ARG A 39 -4.356 -4.620 6.696 1.00 0.00 C ATOM 569 C ARG A 39 -3.836 -6.060 6.764 1.00 0.00 C ATOM 570 O ARG A 39 -2.708 -6.300 7.144 1.00 0.00 O ATOM 571 CB ARG A 39 -4.826 -4.181 8.084 1.00 0.00 C ATOM 572 CG ARG A 39 -4.484 -2.705 8.294 1.00 0.00 C ATOM 573 CD ARG A 39 -3.003 -2.569 8.654 1.00 0.00 C ATOM 574 NE ARG A 39 -2.790 -3.018 10.059 1.00 0.00 N ATOM 575 CZ ARG A 39 -1.579 -3.120 10.536 1.00 0.00 C ATOM 576 NH1 ARG A 39 -1.216 -2.393 11.558 1.00 0.00 N ATOM 577 NH2 ARG A 39 -0.731 -3.949 9.991 1.00 0.00 N ATOM 0 H ARG A 39 -6.417 -4.440 6.162 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.548 -3.972 6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.901 -4.334 8.181 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.347 -4.789 8.851 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.702 -2.138 7.389 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.102 -2.287 9.089 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.396 -3.167 7.974 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.684 -1.533 8.540 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.591 -3.246 10.648 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.879 -1.745 11.984 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.270 -2.473 11.930 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.014 -4.517 9.193 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.215 -4.029 10.363 1.00 0.00 H new ATOM 591 N PHE A 40 -4.645 -7.020 6.413 1.00 0.00 N ATOM 592 CA PHE A 40 -4.186 -8.440 6.475 1.00 0.00 C ATOM 593 C PHE A 40 -3.319 -8.770 5.256 1.00 0.00 C ATOM 594 O PHE A 40 -2.557 -9.715 5.264 1.00 0.00 O ATOM 595 CB PHE A 40 -5.405 -9.365 6.496 1.00 0.00 C ATOM 596 CG PHE A 40 -4.957 -10.798 6.322 1.00 0.00 C ATOM 597 CD1 PHE A 40 -4.830 -11.341 5.039 1.00 0.00 C ATOM 598 CD2 PHE A 40 -4.670 -11.585 7.446 1.00 0.00 C ATOM 599 CE1 PHE A 40 -4.416 -12.669 4.876 1.00 0.00 C ATOM 600 CE2 PHE A 40 -4.257 -12.913 7.283 1.00 0.00 C ATOM 601 CZ PHE A 40 -4.130 -13.455 5.998 1.00 0.00 C ATOM 0 H PHE A 40 -5.602 -6.886 6.086 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.595 -8.584 7.380 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.943 -9.253 7.438 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.096 -9.090 5.699 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.052 -10.735 4.173 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.767 -11.167 8.437 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.318 -13.086 3.885 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.036 -13.520 8.149 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.811 -14.479 5.873 1.00 0.00 H new ATOM 611 N CYS A 41 -3.430 -8.004 4.206 1.00 0.00 N ATOM 612 CA CYS A 41 -2.614 -8.282 2.991 1.00 0.00 C ATOM 613 C CYS A 41 -1.299 -7.500 3.059 1.00 0.00 C ATOM 614 O CYS A 41 -0.371 -7.765 2.322 1.00 0.00 O ATOM 615 CB CYS A 41 -3.393 -7.849 1.744 1.00 0.00 C ATOM 616 SG CYS A 41 -4.561 -9.148 1.267 1.00 0.00 S ATOM 0 H CYS A 41 -4.051 -7.197 4.137 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.399 -9.349 2.940 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -3.929 -6.921 1.943 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.703 -7.649 0.924 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.757 -8.820 1.656 1.00 0.00 H new ATOM 621 N TRP A 42 -1.222 -6.523 3.920 1.00 0.00 N ATOM 622 CA TRP A 42 0.024 -5.709 4.011 1.00 0.00 C ATOM 623 C TRP A 42 0.994 -6.317 5.030 1.00 0.00 C ATOM 624 O TRP A 42 2.121 -6.634 4.707 1.00 0.00 O ATOM 625 CB TRP A 42 -0.336 -4.286 4.436 1.00 0.00 C ATOM 626 CG TRP A 42 0.914 -3.515 4.711 1.00 0.00 C ATOM 627 CD1 TRP A 42 1.745 -3.018 3.767 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.488 -3.146 5.997 1.00 0.00 C ATOM 629 NE1 TRP A 42 2.793 -2.367 4.392 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.679 -2.419 5.767 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.094 -3.370 7.329 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.452 -1.929 6.822 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.870 -2.880 8.392 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.046 -2.161 8.139 1.00 0.00 C ATOM 0 H TRP A 42 -1.966 -6.253 4.563 1.00 0.00 H new ATOM 0 HA TRP A 42 0.509 -5.696 3.035 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.913 -3.796 3.651 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.965 -4.309 5.326 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.612 -3.114 2.700 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.556 -1.905 3.898 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.189 -3.922 7.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.357 -1.375 6.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.559 -3.058 9.411 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.638 -1.787 8.961 1.00 0.00 H new ATOM 645 N HIS A 43 0.579 -6.468 6.259 1.00 0.00 N ATOM 646 CA HIS A 43 1.501 -7.039 7.283 1.00 0.00 C ATOM 647 C HIS A 43 1.780 -8.512 6.974 1.00 0.00 C ATOM 648 O HIS A 43 2.596 -9.144 7.616 1.00 0.00 O ATOM 649 CB HIS A 43 0.875 -6.907 8.676 1.00 0.00 C ATOM 650 CG HIS A 43 -0.215 -7.930 8.852 1.00 0.00 C ATOM 651 ND1 HIS A 43 0.041 -9.293 8.870 1.00 0.00 N ATOM 652 CD2 HIS A 43 -1.570 -7.802 9.031 1.00 0.00 C ATOM 653 CE1 HIS A 43 -1.133 -9.922 9.056 1.00 0.00 C ATOM 654 NE2 HIS A 43 -2.148 -9.061 9.159 1.00 0.00 N ATOM 0 H HIS A 43 -0.352 -6.223 6.597 1.00 0.00 H new ATOM 0 HA HIS A 43 2.442 -6.489 7.260 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.639 -7.043 9.441 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.468 -5.904 8.807 1.00 0.00 H new ATOM 0 HD1 HIS A 43 0.953 -9.737 8.762 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -2.106 -6.865 9.067 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.242 -10.995 9.115 1.00 0.00 H new ATOM 662 N ARG A 44 1.116 -9.070 5.999 1.00 0.00 N ATOM 663 CA ARG A 44 1.357 -10.502 5.662 1.00 0.00 C ATOM 664 C ARG A 44 2.223 -10.593 4.405 1.00 0.00 C ATOM 665 O ARG A 44 3.073 -11.453 4.284 1.00 0.00 O ATOM 666 CB ARG A 44 0.021 -11.205 5.414 1.00 0.00 C ATOM 667 CG ARG A 44 0.140 -12.679 5.807 1.00 0.00 C ATOM 668 CD ARG A 44 0.637 -13.490 4.608 1.00 0.00 C ATOM 669 NE ARG A 44 -0.529 -14.041 3.863 1.00 0.00 N ATOM 670 CZ ARG A 44 -0.476 -14.168 2.565 1.00 0.00 C ATOM 671 NH1 ARG A 44 -1.156 -13.359 1.802 1.00 0.00 N ATOM 672 NH2 ARG A 44 0.257 -15.106 2.030 1.00 0.00 N ATOM 0 H ARG A 44 0.419 -8.598 5.423 1.00 0.00 H new ATOM 0 HA ARG A 44 1.871 -10.986 6.493 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.768 -10.725 5.994 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.258 -11.119 4.364 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.829 -12.788 6.644 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.827 -13.057 6.139 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.236 -12.859 3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.282 -14.301 4.946 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.370 -14.320 4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.730 -12.626 2.219 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.114 -13.459 0.788 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.789 -15.740 2.626 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.298 -15.205 1.016 1.00 0.00 H new ATOM 686 N ILE A 45 2.012 -9.712 3.465 1.00 0.00 N ATOM 687 CA ILE A 45 2.822 -9.746 2.215 1.00 0.00 C ATOM 688 C ILE A 45 4.225 -9.205 2.504 1.00 0.00 C ATOM 689 O ILE A 45 5.201 -9.647 1.930 1.00 0.00 O ATOM 690 CB ILE A 45 2.138 -8.883 1.149 1.00 0.00 C ATOM 691 CG1 ILE A 45 0.950 -9.651 0.565 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.126 -8.552 0.027 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.267 -8.799 -0.508 1.00 0.00 C ATOM 0 H ILE A 45 1.313 -8.970 3.509 1.00 0.00 H new ATOM 0 HA ILE A 45 2.902 -10.771 1.853 1.00 0.00 H new ATOM 0 HB ILE A 45 1.794 -7.956 1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.289 -10.593 0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.240 -9.898 1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.630 -7.939 -0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.975 -8.006 0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.478 -9.476 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.579 -9.347 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.086 -7.868 -0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.979 -8.574 -1.302 1.00 0.00 H new ATOM 705 N ARG A 46 4.333 -8.255 3.391 1.00 0.00 N ATOM 706 CA ARG A 46 5.672 -7.689 3.716 1.00 0.00 C ATOM 707 C ARG A 46 6.292 -8.481 4.871 1.00 0.00 C ATOM 708 O ARG A 46 7.216 -8.031 5.520 1.00 0.00 O ATOM 709 CB ARG A 46 5.519 -6.219 4.124 1.00 0.00 C ATOM 710 CG ARG A 46 4.917 -6.134 5.529 1.00 0.00 C ATOM 711 CD ARG A 46 4.462 -4.700 5.805 1.00 0.00 C ATOM 712 NE ARG A 46 5.608 -3.907 6.328 1.00 0.00 N ATOM 713 CZ ARG A 46 5.693 -3.642 7.604 1.00 0.00 C ATOM 714 NH1 ARG A 46 5.304 -4.526 8.482 1.00 0.00 N ATOM 715 NH2 ARG A 46 6.165 -2.493 8.001 1.00 0.00 N ATOM 0 H ARG A 46 3.552 -7.846 3.905 1.00 0.00 H new ATOM 0 HA ARG A 46 6.319 -7.756 2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.489 -5.723 4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.879 -5.698 3.412 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.072 -6.818 5.616 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.654 -6.442 6.271 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.079 -4.246 4.891 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.646 -4.699 6.527 1.00 0.00 H new ATOM 0 HE ARG A 46 6.328 -3.570 5.689 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.933 -5.424 8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.371 -4.319 9.478 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.468 -1.801 7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.231 -2.286 8.998 1.00 0.00 H new ATOM 729 N THR A 47 5.786 -9.654 5.137 1.00 0.00 N ATOM 730 CA THR A 47 6.343 -10.468 6.255 1.00 0.00 C ATOM 731 C THR A 47 6.851 -11.810 5.718 1.00 0.00 C ATOM 732 O THR A 47 7.935 -12.248 6.047 1.00 0.00 O ATOM 733 CB THR A 47 5.248 -10.718 7.296 1.00 0.00 C ATOM 734 OG1 THR A 47 4.927 -9.496 7.945 1.00 0.00 O ATOM 735 CG2 THR A 47 5.741 -11.733 8.329 1.00 0.00 C ATOM 0 H THR A 47 5.012 -10.084 4.630 1.00 0.00 H new ATOM 0 HA THR A 47 7.171 -9.929 6.715 1.00 0.00 H new ATOM 0 HB THR A 47 4.360 -11.112 6.801 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.999 -9.526 8.259 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.959 -11.909 9.068 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.986 -12.671 7.830 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.630 -11.344 8.826 1.00 0.00 H new ATOM 743 N ASP A 48 6.075 -12.469 4.902 1.00 0.00 N ATOM 744 CA ASP A 48 6.518 -13.784 4.356 1.00 0.00 C ATOM 745 C ASP A 48 6.481 -13.749 2.826 1.00 0.00 C ATOM 746 O ASP A 48 6.705 -14.747 2.169 1.00 0.00 O ATOM 747 CB ASP A 48 5.584 -14.886 4.863 1.00 0.00 C ATOM 748 CG ASP A 48 4.171 -14.646 4.330 1.00 0.00 C ATOM 749 OD1 ASP A 48 3.450 -13.877 4.945 1.00 0.00 O ATOM 750 OD2 ASP A 48 3.833 -15.235 3.317 1.00 0.00 O ATOM 0 H ASP A 48 5.156 -12.155 4.590 1.00 0.00 H new ATOM 0 HA ASP A 48 7.537 -13.986 4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.946 -15.861 4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.576 -14.897 5.953 1.00 0.00 H new ATOM 755 N GLU A 49 6.203 -12.611 2.252 1.00 0.00 N ATOM 756 CA GLU A 49 6.155 -12.520 0.765 1.00 0.00 C ATOM 757 C GLU A 49 7.299 -11.631 0.270 1.00 0.00 C ATOM 758 O GLU A 49 8.350 -11.560 0.875 1.00 0.00 O ATOM 759 CB GLU A 49 4.818 -11.914 0.333 1.00 0.00 C ATOM 760 CG GLU A 49 4.382 -12.531 -0.997 1.00 0.00 C ATOM 761 CD GLU A 49 3.784 -13.917 -0.746 1.00 0.00 C ATOM 762 OE1 GLU A 49 3.823 -14.361 0.389 1.00 0.00 O ATOM 763 OE2 GLU A 49 3.297 -14.511 -1.694 1.00 0.00 O ATOM 0 H GLU A 49 6.007 -11.741 2.747 1.00 0.00 H new ATOM 0 HA GLU A 49 6.258 -13.518 0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.061 -12.096 1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.913 -10.833 0.230 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.648 -11.889 -1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.235 -12.608 -1.671 1.00 0.00 H new ATOM 770 N ASN A 50 7.101 -10.950 -0.825 1.00 0.00 N ATOM 771 CA ASN A 50 8.174 -10.065 -1.358 1.00 0.00 C ATOM 772 C ASN A 50 7.930 -8.631 -0.885 1.00 0.00 C ATOM 773 O ASN A 50 8.854 -7.879 -0.650 1.00 0.00 O ATOM 774 CB ASN A 50 8.159 -10.107 -2.888 1.00 0.00 C ATOM 775 CG ASN A 50 9.479 -10.688 -3.398 1.00 0.00 C ATOM 776 OD1 ASN A 50 9.577 -11.873 -3.651 1.00 0.00 O ATOM 777 ND2 ASN A 50 10.507 -9.901 -3.560 1.00 0.00 N ATOM 0 H ASN A 50 6.242 -10.968 -1.374 1.00 0.00 H new ATOM 0 HA ASN A 50 9.143 -10.409 -0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.324 -10.714 -3.237 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.013 -9.104 -3.288 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.391 -10.280 -3.899 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.426 -8.907 -3.348 1.00 0.00 H new ATOM 784 N GLY A 51 6.691 -8.249 -0.740 1.00 0.00 N ATOM 785 CA GLY A 51 6.386 -6.865 -0.278 1.00 0.00 C ATOM 786 C GLY A 51 6.438 -5.902 -1.466 1.00 0.00 C ATOM 787 O GLY A 51 6.647 -4.715 -1.304 1.00 0.00 O ATOM 0 H GLY A 51 5.876 -8.835 -0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.399 -6.835 0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.104 -6.559 0.483 1.00 0.00 H new ATOM 791 N LEU A 52 6.249 -6.399 -2.656 1.00 0.00 N ATOM 792 CA LEU A 52 6.289 -5.507 -3.850 1.00 0.00 C ATOM 793 C LEU A 52 4.864 -5.099 -4.234 1.00 0.00 C ATOM 794 O LEU A 52 3.895 -5.600 -3.699 1.00 0.00 O ATOM 795 CB LEU A 52 6.935 -6.247 -5.025 1.00 0.00 C ATOM 796 CG LEU A 52 8.458 -6.233 -4.876 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.096 -6.781 -6.154 1.00 0.00 C ATOM 798 CD2 LEU A 52 8.934 -4.798 -4.646 1.00 0.00 C ATOM 0 H LEU A 52 6.069 -7.383 -2.854 1.00 0.00 H new ATOM 0 HA LEU A 52 6.873 -4.618 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.574 -7.275 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.649 -5.775 -5.965 1.00 0.00 H new ATOM 0 HG LEU A 52 8.748 -6.853 -4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.181 -6.773 -6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.755 -7.803 -6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.807 -6.159 -7.001 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.019 -4.787 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.646 -4.179 -5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.477 -4.404 -3.738 1.00 0.00 H new ATOM 810 N CYS A 53 4.734 -4.192 -5.164 1.00 0.00 N ATOM 811 CA CYS A 53 3.378 -3.747 -5.594 1.00 0.00 C ATOM 812 C CYS A 53 2.901 -4.631 -6.754 1.00 0.00 C ATOM 813 O CYS A 53 3.568 -4.724 -7.766 1.00 0.00 O ATOM 814 CB CYS A 53 3.453 -2.293 -6.063 1.00 0.00 C ATOM 815 SG CYS A 53 1.783 -1.618 -6.233 1.00 0.00 S ATOM 0 H CYS A 53 5.511 -3.739 -5.646 1.00 0.00 H new ATOM 0 HA CYS A 53 2.680 -3.829 -4.761 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.024 -1.700 -5.349 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.977 -2.235 -7.017 1.00 0.00 H new ATOM 0 HG CYS A 53 1.175 -1.670 -5.085 1.00 0.00 H new ATOM 820 N PRO A 54 1.762 -5.255 -6.579 1.00 0.00 N ATOM 821 CA PRO A 54 1.182 -6.135 -7.607 1.00 0.00 C ATOM 822 C PRO A 54 0.519 -5.297 -8.705 1.00 0.00 C ATOM 823 O PRO A 54 -0.076 -5.821 -9.625 1.00 0.00 O ATOM 824 CB PRO A 54 0.140 -6.950 -6.838 1.00 0.00 C ATOM 825 CG PRO A 54 -0.219 -6.124 -5.581 1.00 0.00 C ATOM 826 CD PRO A 54 0.949 -5.146 -5.350 1.00 0.00 C ATOM 0 HA PRO A 54 1.921 -6.763 -8.104 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.743 -7.128 -7.451 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.538 -7.926 -6.561 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.154 -5.583 -5.726 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.357 -6.774 -4.717 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.591 -4.128 -5.198 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.526 -5.417 -4.466 1.00 0.00 H new ATOM 834 N ALA A 55 0.615 -3.999 -8.612 1.00 0.00 N ATOM 835 CA ALA A 55 -0.012 -3.131 -9.647 1.00 0.00 C ATOM 836 C ALA A 55 1.074 -2.367 -10.405 1.00 0.00 C ATOM 837 O ALA A 55 1.113 -2.368 -11.620 1.00 0.00 O ATOM 838 CB ALA A 55 -0.958 -2.136 -8.973 1.00 0.00 C ATOM 0 H ALA A 55 1.100 -3.503 -7.864 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.573 -3.751 -10.346 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.417 -1.500 -9.730 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.735 -2.680 -8.436 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.397 -1.518 -8.272 1.00 0.00 H new ATOM 844 N CYS A 56 1.958 -1.712 -9.703 1.00 0.00 N ATOM 845 CA CYS A 56 3.034 -0.948 -10.395 1.00 0.00 C ATOM 846 C CYS A 56 4.391 -1.624 -10.144 1.00 0.00 C ATOM 847 O CYS A 56 5.392 -1.256 -10.725 1.00 0.00 O ATOM 848 CB CYS A 56 3.040 0.503 -9.884 1.00 0.00 C ATOM 849 SG CYS A 56 3.975 0.635 -8.336 1.00 0.00 S ATOM 0 H CYS A 56 1.982 -1.673 -8.684 1.00 0.00 H new ATOM 0 HA CYS A 56 2.850 -0.937 -11.469 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.480 1.157 -10.637 1.00 0.00 H new ATOM 0 HB3 CYS A 56 2.016 0.842 -9.726 1.00 0.00 H new ATOM 0 HG CYS A 56 3.352 -0.011 -7.396 1.00 0.00 H new ATOM 854 N ARG A 57 4.420 -2.616 -9.288 1.00 0.00 N ATOM 855 CA ARG A 57 5.698 -3.339 -8.995 1.00 0.00 C ATOM 856 C ARG A 57 6.526 -2.579 -7.952 1.00 0.00 C ATOM 857 O ARG A 57 7.181 -3.180 -7.124 1.00 0.00 O ATOM 858 CB ARG A 57 6.515 -3.491 -10.279 1.00 0.00 C ATOM 859 CG ARG A 57 7.239 -4.838 -10.264 1.00 0.00 C ATOM 860 CD ARG A 57 8.731 -4.613 -10.014 1.00 0.00 C ATOM 861 NE ARG A 57 9.523 -5.351 -11.039 1.00 0.00 N ATOM 862 CZ ARG A 57 10.773 -5.648 -10.808 1.00 0.00 C ATOM 863 NH1 ARG A 57 11.139 -6.062 -9.625 1.00 0.00 N ATOM 864 NH2 ARG A 57 11.657 -5.531 -11.760 1.00 0.00 N ATOM 0 H ARG A 57 3.607 -2.959 -8.776 1.00 0.00 H new ATOM 0 HA ARG A 57 5.451 -4.323 -8.598 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.861 -3.427 -11.149 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.237 -2.679 -10.362 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.822 -5.478 -9.487 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.092 -5.352 -11.214 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.962 -3.549 -10.058 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.999 -4.956 -9.015 1.00 0.00 H new ATOM 0 HE ARG A 57 9.088 -5.624 -11.920 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.448 -6.154 -8.880 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.116 -6.294 -9.445 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.371 -5.208 -12.684 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.634 -5.763 -11.580 1.00 0.00 H new ATOM 878 N LYS A 58 6.518 -1.270 -7.987 1.00 0.00 N ATOM 879 CA LYS A 58 7.321 -0.489 -6.995 1.00 0.00 C ATOM 880 C LYS A 58 7.215 -1.142 -5.613 1.00 0.00 C ATOM 881 O LYS A 58 6.218 -1.758 -5.292 1.00 0.00 O ATOM 882 CB LYS A 58 6.795 0.946 -6.920 1.00 0.00 C ATOM 883 CG LYS A 58 6.918 1.609 -8.293 1.00 0.00 C ATOM 884 CD LYS A 58 8.396 1.837 -8.620 1.00 0.00 C ATOM 885 CE LYS A 58 8.520 2.904 -9.709 1.00 0.00 C ATOM 886 NZ LYS A 58 9.667 2.574 -10.602 1.00 0.00 N ATOM 0 H LYS A 58 5.992 -0.709 -8.657 1.00 0.00 H new ATOM 0 HA LYS A 58 8.364 -0.478 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.754 0.946 -6.597 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.359 1.513 -6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.459 0.979 -9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.383 2.558 -8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.933 2.152 -7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.853 0.906 -8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.598 2.956 -10.288 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.668 3.885 -9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.751 3.300 -11.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.544 2.546 -10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.507 1.646 -11.044 1.00 0.00 H new ATOM 900 N PRO A 59 8.261 -0.994 -4.837 1.00 0.00 N ATOM 901 CA PRO A 59 8.336 -1.565 -3.479 1.00 0.00 C ATOM 902 C PRO A 59 7.544 -0.715 -2.477 1.00 0.00 C ATOM 903 O PRO A 59 7.623 0.497 -2.473 1.00 0.00 O ATOM 904 CB PRO A 59 9.833 -1.524 -3.157 1.00 0.00 C ATOM 905 CG PRO A 59 10.449 -0.439 -4.076 1.00 0.00 C ATOM 906 CD PRO A 59 9.468 -0.245 -5.246 1.00 0.00 C ATOM 0 HA PRO A 59 7.911 -2.567 -3.420 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.998 -1.283 -2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.296 -2.494 -3.338 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.592 0.494 -3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.429 -0.749 -4.439 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.246 0.810 -5.408 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.879 -0.631 -6.179 1.00 0.00 H new ATOM 914 N TYR A 60 6.789 -1.350 -1.620 1.00 0.00 N ATOM 915 CA TYR A 60 5.997 -0.595 -0.605 1.00 0.00 C ATOM 916 C TYR A 60 6.875 0.494 0.019 1.00 0.00 C ATOM 917 O TYR A 60 8.086 0.430 -0.065 1.00 0.00 O ATOM 918 CB TYR A 60 5.535 -1.563 0.491 1.00 0.00 C ATOM 919 CG TYR A 60 4.746 -2.702 -0.120 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.253 -2.601 -1.427 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.505 -3.861 0.629 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.521 -3.657 -1.984 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.773 -4.917 0.071 1.00 0.00 C ATOM 924 CZ TYR A 60 3.281 -4.814 -1.235 1.00 0.00 C ATOM 925 OH TYR A 60 2.560 -5.855 -1.785 1.00 0.00 O ATOM 0 H TYR A 60 6.686 -2.364 -1.579 1.00 0.00 H new ATOM 0 HA TYR A 60 5.131 -0.135 -1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.398 -1.955 1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.920 -1.034 1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.437 -1.708 -2.006 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.884 -3.940 1.637 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.142 -3.578 -2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.588 -5.811 0.649 1.00 0.00 H new ATOM 0 HH TYR A 60 3.004 -6.165 -2.602 1.00 0.00 H new ATOM 935 N PRO A 61 6.242 1.462 0.638 1.00 0.00 N ATOM 936 CA PRO A 61 6.952 2.574 1.294 1.00 0.00 C ATOM 937 C PRO A 61 7.523 2.116 2.638 1.00 0.00 C ATOM 938 O PRO A 61 8.720 2.113 2.847 1.00 0.00 O ATOM 939 CB PRO A 61 5.864 3.630 1.494 1.00 0.00 C ATOM 940 CG PRO A 61 4.514 2.876 1.469 1.00 0.00 C ATOM 941 CD PRO A 61 4.767 1.541 0.742 1.00 0.00 C ATOM 0 HA PRO A 61 7.796 2.948 0.714 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.999 4.153 2.441 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.903 4.382 0.706 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.149 2.702 2.481 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.753 3.461 0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.361 0.699 1.302 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.296 1.527 -0.241 1.00 0.00 H new