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 -124:sc= -0.493 USER MOD Set 1.2: A 33 CYS SG : rot -133:sc= 0.157 USER MOD Set 1.3: A 53 CYS SG : rot 70:sc= 0.576 USER MOD Set 1.4: A 56 CYS SG : rot -70:sc= -2.84 USER MOD Set 2.1: A 14 CYS SG : rot 22:sc= -0.173! USER MOD Set 2.2: A 17 CYS SG : rot -62:sc= 0.341 USER MOD Set 2.3: A 38 CYS SG : rot -135:sc= -1.21! USER MOD Set 2.4: A 41 CYS SG : rot 144:sc= -2.5! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.674 K(o=-0.67,f=-6.7!) USER MOD Single : A 32 THR OG1 : rot -42:sc= 1.07 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.396 USER MOD Single : A 36 GLN : amide:sc= -2.83! C(o=-2.8!,f=-8.5!) USER MOD Single : A 43 HIS : no HD1:sc=-0.00423 X(o=-0.0042,f=-0.16) USER MOD Single : A 47 THR OG1 : rot 123:sc= 0.364 USER MOD Single : A 50 ASN : amide:sc= -0.527 K(o=-0.53,f=-3.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 92:sc= -0.429 USER MOD ----------------------------------------------------------------- ATOM 165 N VAL A 12 -14.828 1.087 -1.226 1.00 0.00 N ATOM 166 CA VAL A 12 -13.669 0.392 -1.855 1.00 0.00 C ATOM 167 C VAL A 12 -13.456 -0.967 -1.187 1.00 0.00 C ATOM 168 O VAL A 12 -13.743 -1.150 -0.019 1.00 0.00 O ATOM 169 CB VAL A 12 -12.410 1.243 -1.692 1.00 0.00 C ATOM 170 CG1 VAL A 12 -11.335 0.757 -2.666 1.00 0.00 C ATOM 171 CG2 VAL A 12 -12.741 2.706 -1.992 1.00 0.00 C ATOM 0 HA VAL A 12 -13.873 0.244 -2.916 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.043 1.154 -0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.437 1.364 -2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.098 -0.286 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.703 0.846 -3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.843 3.313 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.109 2.794 -3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.507 3.055 -1.300 1.00 0.00 H new ATOM 181 N GLU A 13 -12.951 -1.922 -1.919 1.00 0.00 N ATOM 182 CA GLU A 13 -12.715 -3.270 -1.332 1.00 0.00 C ATOM 183 C GLU A 13 -11.248 -3.658 -1.525 1.00 0.00 C ATOM 184 O GLU A 13 -10.508 -2.995 -2.226 1.00 0.00 O ATOM 185 CB GLU A 13 -13.610 -4.294 -2.034 1.00 0.00 C ATOM 186 CG GLU A 13 -15.003 -4.275 -1.401 1.00 0.00 C ATOM 187 CD GLU A 13 -15.826 -5.444 -1.943 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.279 -5.349 -3.072 1.00 0.00 O ATOM 189 OE2 GLU A 13 -15.988 -6.414 -1.222 1.00 0.00 O ATOM 0 H GLU A 13 -12.691 -1.826 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.950 -3.251 -0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.679 -4.064 -3.097 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.175 -5.290 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.922 -4.346 -0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.502 -3.332 -1.623 1.00 0.00 H new ATOM 196 N CYS A 14 -10.821 -4.727 -0.909 1.00 0.00 N ATOM 197 CA CYS A 14 -9.404 -5.155 -1.056 1.00 0.00 C ATOM 198 C CYS A 14 -9.254 -6.007 -2.326 1.00 0.00 C ATOM 199 O CYS A 14 -9.824 -7.074 -2.417 1.00 0.00 O ATOM 200 CB CYS A 14 -8.995 -5.994 0.159 1.00 0.00 C ATOM 201 SG CYS A 14 -7.234 -6.395 0.042 1.00 0.00 S ATOM 0 H CYS A 14 -11.394 -5.322 -0.310 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.767 -4.273 -1.127 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.194 -5.444 1.079 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.586 -6.909 0.200 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.644 -5.537 -0.737 1.00 0.00 H new ATOM 206 N PRO A 15 -8.486 -5.516 -3.267 1.00 0.00 N ATOM 207 CA PRO A 15 -8.239 -6.226 -4.534 1.00 0.00 C ATOM 208 C PRO A 15 -7.181 -7.316 -4.330 1.00 0.00 C ATOM 209 O PRO A 15 -6.725 -7.939 -5.267 1.00 0.00 O ATOM 210 CB PRO A 15 -7.712 -5.129 -5.463 1.00 0.00 C ATOM 211 CG PRO A 15 -7.152 -4.014 -4.548 1.00 0.00 C ATOM 212 CD PRO A 15 -7.799 -4.212 -3.164 1.00 0.00 C ATOM 0 HA PRO A 15 -9.125 -6.724 -4.929 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.935 -5.518 -6.122 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.508 -4.745 -6.101 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.066 -4.078 -4.480 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.389 -3.029 -4.949 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.050 -4.218 -2.372 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.500 -3.410 -2.934 1.00 0.00 H new ATOM 220 N LEU A 16 -6.781 -7.541 -3.107 1.00 0.00 N ATOM 221 CA LEU A 16 -5.747 -8.577 -2.829 1.00 0.00 C ATOM 222 C LEU A 16 -6.404 -9.817 -2.213 1.00 0.00 C ATOM 223 O LEU A 16 -6.039 -10.937 -2.514 1.00 0.00 O ATOM 224 CB LEU A 16 -4.719 -8.007 -1.846 1.00 0.00 C ATOM 225 CG LEU A 16 -3.702 -7.132 -2.589 1.00 0.00 C ATOM 226 CD1 LEU A 16 -2.670 -8.022 -3.283 1.00 0.00 C ATOM 227 CD2 LEU A 16 -4.415 -6.268 -3.636 1.00 0.00 C ATOM 0 H LEU A 16 -7.129 -7.048 -2.285 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.256 -8.858 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.225 -7.419 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.204 -8.821 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.202 -6.483 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.948 -7.399 -3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.152 -8.627 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.174 -8.676 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.684 -5.651 -4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.924 -6.912 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.145 -5.627 -3.142 1.00 0.00 H new ATOM 239 N CYS A 17 -7.367 -9.631 -1.349 1.00 0.00 N ATOM 240 CA CYS A 17 -8.038 -10.807 -0.715 1.00 0.00 C ATOM 241 C CYS A 17 -9.555 -10.692 -0.882 1.00 0.00 C ATOM 242 O CYS A 17 -10.275 -11.662 -0.754 1.00 0.00 O ATOM 243 CB CYS A 17 -7.691 -10.853 0.777 1.00 0.00 C ATOM 244 SG CYS A 17 -8.538 -9.506 1.646 1.00 0.00 S ATOM 0 H CYS A 17 -7.718 -8.720 -1.055 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.691 -11.720 -1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.987 -11.813 1.199 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.613 -10.764 0.912 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.134 -8.364 1.174 1.00 0.00 H new ATOM 249 N MET A 18 -10.038 -9.511 -1.160 1.00 0.00 N ATOM 250 CA MET A 18 -11.502 -9.304 -1.339 1.00 0.00 C ATOM 251 C MET A 18 -12.163 -9.098 0.026 1.00 0.00 C ATOM 252 O MET A 18 -12.344 -10.028 0.788 1.00 0.00 O ATOM 253 CB MET A 18 -12.127 -10.517 -2.036 1.00 0.00 C ATOM 254 CG MET A 18 -13.093 -10.041 -3.122 1.00 0.00 C ATOM 255 SD MET A 18 -12.413 -10.443 -4.751 1.00 0.00 S ATOM 256 CE MET A 18 -12.337 -8.750 -5.388 1.00 0.00 C ATOM 0 H MET A 18 -9.471 -8.670 -1.272 1.00 0.00 H new ATOM 0 HA MET A 18 -11.661 -8.421 -1.957 1.00 0.00 H new ATOM 0 HB2 MET A 18 -11.347 -11.139 -2.476 1.00 0.00 H new ATOM 0 HB3 MET A 18 -12.656 -11.135 -1.310 1.00 0.00 H new ATOM 0 HG2 MET A 18 -14.065 -10.518 -2.994 1.00 0.00 H new ATOM 0 HG3 MET A 18 -13.252 -8.966 -3.037 1.00 0.00 H new ATOM 0 HE1 MET A 18 -11.938 -8.760 -6.402 1.00 0.00 H new ATOM 0 HE2 MET A 18 -13.338 -8.319 -5.396 1.00 0.00 H new ATOM 0 HE3 MET A 18 -11.689 -8.150 -4.750 1.00 0.00 H new ATOM 266 N GLU A 19 -12.522 -7.883 0.339 1.00 0.00 N ATOM 267 CA GLU A 19 -13.168 -7.603 1.652 1.00 0.00 C ATOM 268 C GLU A 19 -13.567 -6.125 1.706 1.00 0.00 C ATOM 269 O GLU A 19 -13.065 -5.325 0.943 1.00 0.00 O ATOM 270 CB GLU A 19 -12.176 -7.915 2.778 1.00 0.00 C ATOM 271 CG GLU A 19 -10.985 -6.958 2.693 1.00 0.00 C ATOM 272 CD GLU A 19 -10.382 -6.767 4.086 1.00 0.00 C ATOM 273 OE1 GLU A 19 -9.662 -7.649 4.525 1.00 0.00 O ATOM 274 OE2 GLU A 19 -10.650 -5.743 4.691 1.00 0.00 O ATOM 0 H GLU A 19 -12.395 -7.068 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.056 -8.224 1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.667 -7.816 3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.833 -8.947 2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.233 -7.356 2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.305 -5.998 2.289 1.00 0.00 H new ATOM 281 N PRO A 20 -14.459 -5.800 2.607 1.00 0.00 N ATOM 282 CA PRO A 20 -14.938 -4.418 2.776 1.00 0.00 C ATOM 283 C PRO A 20 -13.892 -3.579 3.516 1.00 0.00 C ATOM 284 O PRO A 20 -13.607 -3.803 4.676 1.00 0.00 O ATOM 285 CB PRO A 20 -16.213 -4.579 3.608 1.00 0.00 C ATOM 286 CG PRO A 20 -16.094 -5.941 4.331 1.00 0.00 C ATOM 287 CD PRO A 20 -15.069 -6.773 3.536 1.00 0.00 C ATOM 0 HA PRO A 20 -15.120 -3.904 1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -16.313 -3.765 4.326 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.098 -4.553 2.972 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.767 -5.805 5.362 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.059 -6.446 4.367 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.322 -7.219 4.193 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.550 -7.590 2.998 1.00 0.00 H new ATOM 295 N LEU A 21 -13.317 -2.617 2.848 1.00 0.00 N ATOM 296 CA LEU A 21 -12.285 -1.762 3.500 1.00 0.00 C ATOM 297 C LEU A 21 -12.950 -0.851 4.534 1.00 0.00 C ATOM 298 O LEU A 21 -14.116 -0.997 4.847 1.00 0.00 O ATOM 299 CB LEU A 21 -11.592 -0.903 2.439 1.00 0.00 C ATOM 300 CG LEU A 21 -10.657 -1.774 1.598 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.333 -1.054 0.287 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.363 -2.029 2.374 1.00 0.00 C ATOM 0 H LEU A 21 -13.518 -2.386 1.875 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.550 -2.397 3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.336 -0.429 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.027 -0.103 2.918 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.143 -2.725 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.667 -1.674 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.255 -0.872 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.846 -0.103 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.696 -2.650 1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.876 -1.078 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.594 -2.541 3.308 1.00 0.00 H new ATOM 314 N GLU A 22 -12.217 0.088 5.067 1.00 0.00 N ATOM 315 CA GLU A 22 -12.805 1.009 6.080 1.00 0.00 C ATOM 316 C GLU A 22 -12.189 2.402 5.925 1.00 0.00 C ATOM 317 O GLU A 22 -11.850 2.823 4.836 1.00 0.00 O ATOM 318 CB GLU A 22 -12.513 0.473 7.483 1.00 0.00 C ATOM 319 CG GLU A 22 -13.637 0.896 8.433 1.00 0.00 C ATOM 320 CD GLU A 22 -14.467 -0.329 8.823 1.00 0.00 C ATOM 321 OE1 GLU A 22 -14.006 -1.434 8.586 1.00 0.00 O ATOM 322 OE2 GLU A 22 -15.550 -0.142 9.352 1.00 0.00 O ATOM 0 H GLU A 22 -11.236 0.257 4.845 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.883 1.073 5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.431 -0.614 7.459 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.557 0.857 7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.217 1.362 9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.272 1.640 7.953 1.00 0.00 H new ATOM 329 N ILE A 23 -12.043 3.123 7.004 1.00 0.00 N ATOM 330 CA ILE A 23 -11.452 4.490 6.914 1.00 0.00 C ATOM 331 C ILE A 23 -9.924 4.393 6.968 1.00 0.00 C ATOM 332 O ILE A 23 -9.227 4.952 6.145 1.00 0.00 O ATOM 333 CB ILE A 23 -11.959 5.340 8.086 1.00 0.00 C ATOM 334 CG1 ILE A 23 -13.394 5.791 7.800 1.00 0.00 C ATOM 335 CG2 ILE A 23 -11.068 6.574 8.261 1.00 0.00 C ATOM 336 CD1 ILE A 23 -14.363 4.653 8.128 1.00 0.00 C ATOM 0 H ILE A 23 -12.307 2.825 7.943 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.748 4.955 5.974 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.932 4.745 8.999 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.635 6.671 8.396 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -13.494 6.078 6.753 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.435 7.172 9.095 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.045 6.258 8.463 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.090 7.171 7.349 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -15.384 4.975 7.924 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.126 3.785 7.513 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.269 4.388 9.181 1.00 0.00 H new ATOM 348 N ASP A 24 -9.397 3.693 7.936 1.00 0.00 N ATOM 349 CA ASP A 24 -7.916 3.568 8.045 1.00 0.00 C ATOM 350 C ASP A 24 -7.427 2.412 7.168 1.00 0.00 C ATOM 351 O ASP A 24 -6.324 1.926 7.329 1.00 0.00 O ATOM 352 CB ASP A 24 -7.532 3.298 9.502 1.00 0.00 C ATOM 353 CG ASP A 24 -6.009 3.218 9.621 1.00 0.00 C ATOM 354 OD1 ASP A 24 -5.348 4.127 9.147 1.00 0.00 O ATOM 355 OD2 ASP A 24 -5.529 2.247 10.185 1.00 0.00 O ATOM 0 H ASP A 24 -9.928 3.203 8.656 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.452 4.496 7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.917 4.091 10.144 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.984 2.366 9.842 1.00 0.00 H new ATOM 360 N ASP A 25 -8.232 1.966 6.243 1.00 0.00 N ATOM 361 CA ASP A 25 -7.804 0.842 5.364 1.00 0.00 C ATOM 362 C ASP A 25 -7.826 1.296 3.902 1.00 0.00 C ATOM 363 O ASP A 25 -7.020 0.871 3.097 1.00 0.00 O ATOM 364 CB ASP A 25 -8.755 -0.341 5.548 1.00 0.00 C ATOM 365 CG ASP A 25 -8.206 -1.270 6.634 1.00 0.00 C ATOM 366 OD1 ASP A 25 -7.769 -0.762 7.654 1.00 0.00 O ATOM 367 OD2 ASP A 25 -8.229 -2.472 6.426 1.00 0.00 O ATOM 0 H ASP A 25 -9.166 2.331 6.058 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.792 0.538 5.632 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.747 0.015 5.826 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.863 -0.885 4.609 1.00 0.00 H new ATOM 372 N ILE A 26 -8.740 2.161 3.552 1.00 0.00 N ATOM 373 CA ILE A 26 -8.809 2.645 2.145 1.00 0.00 C ATOM 374 C ILE A 26 -7.566 3.489 1.846 1.00 0.00 C ATOM 375 O ILE A 26 -6.659 3.052 1.167 1.00 0.00 O ATOM 376 CB ILE A 26 -10.085 3.480 1.961 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.264 2.540 1.707 1.00 0.00 C ATOM 378 CG2 ILE A 26 -9.930 4.429 0.767 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.572 3.258 2.042 1.00 0.00 C ATOM 0 H ILE A 26 -9.441 2.553 4.180 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.839 1.802 1.455 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.260 4.069 2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.269 2.220 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.164 1.642 2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.841 5.015 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.088 5.099 0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.750 3.849 -0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.412 2.587 1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.565 3.556 3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.672 4.143 1.414 1.00 0.00 H new ATOM 391 N ASN A 27 -7.511 4.690 2.352 1.00 0.00 N ATOM 392 CA ASN A 27 -6.319 5.547 2.097 1.00 0.00 C ATOM 393 C ASN A 27 -5.061 4.786 2.518 1.00 0.00 C ATOM 394 O ASN A 27 -3.964 5.100 2.100 1.00 0.00 O ATOM 395 CB ASN A 27 -6.433 6.838 2.909 1.00 0.00 C ATOM 396 CG ASN A 27 -7.646 7.637 2.431 1.00 0.00 C ATOM 397 OD1 ASN A 27 -8.699 7.079 2.188 1.00 0.00 O ATOM 398 ND2 ASN A 27 -7.544 8.929 2.284 1.00 0.00 N ATOM 0 H ASN A 27 -8.237 5.114 2.929 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.263 5.795 1.037 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.532 6.605 3.969 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.526 7.432 2.797 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.347 9.471 1.965 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.661 9.397 2.488 1.00 0.00 H new ATOM 405 N PHE A 28 -5.212 3.785 3.343 1.00 0.00 N ATOM 406 CA PHE A 28 -4.028 3.001 3.791 1.00 0.00 C ATOM 407 C PHE A 28 -3.576 2.076 2.658 1.00 0.00 C ATOM 408 O PHE A 28 -4.073 0.978 2.503 1.00 0.00 O ATOM 409 CB PHE A 28 -4.404 2.167 5.023 1.00 0.00 C ATOM 410 CG PHE A 28 -3.397 1.056 5.222 1.00 0.00 C ATOM 411 CD1 PHE A 28 -2.106 1.352 5.677 1.00 0.00 C ATOM 412 CD2 PHE A 28 -3.755 -0.269 4.945 1.00 0.00 C ATOM 413 CE1 PHE A 28 -1.173 0.323 5.855 1.00 0.00 C ATOM 414 CE2 PHE A 28 -2.822 -1.298 5.125 1.00 0.00 C ATOM 415 CZ PHE A 28 -1.531 -1.002 5.580 1.00 0.00 C ATOM 0 H PHE A 28 -6.106 3.477 3.726 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.215 3.679 4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.435 2.803 5.907 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.402 1.747 4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.830 2.374 5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.750 -0.497 4.593 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.177 0.552 6.205 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.098 -2.320 4.913 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.812 -1.796 5.719 1.00 0.00 H new ATOM 425 N PHE A 29 -2.630 2.507 1.869 1.00 0.00 N ATOM 426 CA PHE A 29 -2.143 1.648 0.754 1.00 0.00 C ATOM 427 C PHE A 29 -0.680 1.283 1.003 1.00 0.00 C ATOM 428 O PHE A 29 0.070 2.068 1.546 1.00 0.00 O ATOM 429 CB PHE A 29 -2.249 2.406 -0.570 1.00 0.00 C ATOM 430 CG PHE A 29 -1.998 3.871 -0.326 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.698 4.332 -0.078 1.00 0.00 C ATOM 432 CD2 PHE A 29 -3.070 4.769 -0.345 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.475 5.694 0.153 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.847 6.129 -0.115 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.549 6.594 0.134 1.00 0.00 C ATOM 0 H PHE A 29 -2.174 3.416 1.949 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.751 0.745 0.704 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.525 2.015 -1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.237 2.262 -1.006 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.129 3.638 -0.065 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.071 4.411 -0.538 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.526 6.052 0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.675 6.822 -0.129 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.376 7.645 0.311 1.00 0.00 H new ATOM 445 N PRO A 30 -0.315 0.100 0.588 1.00 0.00 N ATOM 446 CA PRO A 30 1.057 -0.399 0.741 1.00 0.00 C ATOM 447 C PRO A 30 1.962 0.227 -0.322 1.00 0.00 C ATOM 448 O PRO A 30 3.161 0.051 -0.306 1.00 0.00 O ATOM 449 CB PRO A 30 0.919 -1.907 0.524 1.00 0.00 C ATOM 450 CG PRO A 30 -0.383 -2.111 -0.286 1.00 0.00 C ATOM 451 CD PRO A 30 -1.236 -0.849 -0.071 1.00 0.00 C ATOM 0 HA PRO A 30 1.502 -0.156 1.706 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.779 -2.303 -0.016 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.871 -2.434 1.477 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.163 -2.254 -1.344 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.915 -3.000 0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.607 -0.453 -1.016 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.106 -1.057 0.551 1.00 0.00 H new ATOM 459 N CYS A 31 1.394 0.953 -1.247 1.00 0.00 N ATOM 460 CA CYS A 31 2.221 1.585 -2.315 1.00 0.00 C ATOM 461 C CYS A 31 1.721 3.006 -2.589 1.00 0.00 C ATOM 462 O CYS A 31 0.586 3.339 -2.313 1.00 0.00 O ATOM 463 CB CYS A 31 2.115 0.752 -3.590 1.00 0.00 C ATOM 464 SG CYS A 31 3.190 1.456 -4.862 1.00 0.00 S ATOM 0 H CYS A 31 0.392 1.136 -1.309 1.00 0.00 H new ATOM 0 HA CYS A 31 3.260 1.630 -1.989 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.401 -0.280 -3.388 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.083 0.734 -3.940 1.00 0.00 H new ATOM 0 HG CYS A 31 2.488 1.729 -5.921 1.00 0.00 H new ATOM 469 N THR A 32 2.567 3.850 -3.121 1.00 0.00 N ATOM 470 CA THR A 32 2.150 5.255 -3.403 1.00 0.00 C ATOM 471 C THR A 32 1.584 5.373 -4.824 1.00 0.00 C ATOM 472 O THR A 32 1.576 6.440 -5.405 1.00 0.00 O ATOM 473 CB THR A 32 3.361 6.180 -3.269 1.00 0.00 C ATOM 474 OG1 THR A 32 2.948 7.526 -3.459 1.00 0.00 O ATOM 475 CG2 THR A 32 4.405 5.811 -4.325 1.00 0.00 C ATOM 0 H THR A 32 3.530 3.626 -3.372 1.00 0.00 H new ATOM 0 HA THR A 32 1.378 5.541 -2.689 1.00 0.00 H new ATOM 0 HB THR A 32 3.797 6.069 -2.276 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.314 7.571 -4.205 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.268 6.470 -4.229 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.720 4.778 -4.180 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.972 5.922 -5.319 1.00 0.00 H new ATOM 483 N CYS A 33 1.110 4.298 -5.395 1.00 0.00 N ATOM 484 CA CYS A 33 0.554 4.387 -6.777 1.00 0.00 C ATOM 485 C CYS A 33 -0.975 4.365 -6.724 1.00 0.00 C ATOM 486 O CYS A 33 -1.640 4.411 -7.740 1.00 0.00 O ATOM 487 CB CYS A 33 1.062 3.210 -7.616 1.00 0.00 C ATOM 488 SG CYS A 33 0.239 1.682 -7.100 1.00 0.00 S ATOM 0 H CYS A 33 1.083 3.371 -4.970 1.00 0.00 H new ATOM 0 HA CYS A 33 0.881 5.321 -7.235 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.871 3.397 -8.673 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.141 3.109 -7.500 1.00 0.00 H new ATOM 0 HG CYS A 33 1.123 0.740 -6.957 1.00 0.00 H new ATOM 493 N GLY A 34 -1.539 4.294 -5.551 1.00 0.00 N ATOM 494 CA GLY A 34 -3.024 4.271 -5.440 1.00 0.00 C ATOM 495 C GLY A 34 -3.493 2.855 -5.109 1.00 0.00 C ATOM 496 O GLY A 34 -4.408 2.661 -4.334 1.00 0.00 O ATOM 0 H GLY A 34 -1.036 4.251 -4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.351 4.964 -4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.474 4.604 -6.375 1.00 0.00 H new ATOM 500 N TYR A 35 -2.876 1.859 -5.685 1.00 0.00 N ATOM 501 CA TYR A 35 -3.296 0.460 -5.389 1.00 0.00 C ATOM 502 C TYR A 35 -3.256 0.259 -3.873 1.00 0.00 C ATOM 503 O TYR A 35 -2.199 0.174 -3.280 1.00 0.00 O ATOM 504 CB TYR A 35 -2.331 -0.517 -6.067 1.00 0.00 C ATOM 505 CG TYR A 35 -3.076 -1.770 -6.470 1.00 0.00 C ATOM 506 CD1 TYR A 35 -4.037 -1.709 -7.487 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.804 -2.990 -5.836 1.00 0.00 C ATOM 508 CE1 TYR A 35 -4.726 -2.865 -7.870 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.493 -4.147 -6.222 1.00 0.00 C ATOM 510 CZ TYR A 35 -4.455 -4.085 -7.238 1.00 0.00 C ATOM 511 OH TYR A 35 -5.134 -5.225 -7.617 1.00 0.00 O ATOM 0 H TYR A 35 -2.103 1.953 -6.344 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.303 0.278 -5.764 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.882 -0.051 -6.944 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.516 -0.769 -5.388 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.246 -0.769 -7.976 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.064 -3.038 -5.051 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.467 -2.816 -8.654 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.282 -5.088 -5.736 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.825 -5.984 -7.079 1.00 0.00 H new ATOM 521 N GLN A 36 -4.394 0.195 -3.238 1.00 0.00 N ATOM 522 CA GLN A 36 -4.404 0.014 -1.756 1.00 0.00 C ATOM 523 C GLN A 36 -4.896 -1.390 -1.411 1.00 0.00 C ATOM 524 O GLN A 36 -5.526 -2.054 -2.210 1.00 0.00 O ATOM 525 CB GLN A 36 -5.332 1.045 -1.087 1.00 0.00 C ATOM 526 CG GLN A 36 -5.793 2.106 -2.092 1.00 0.00 C ATOM 527 CD GLN A 36 -6.944 2.911 -1.485 1.00 0.00 C ATOM 528 OE1 GLN A 36 -7.817 2.357 -0.848 1.00 0.00 O ATOM 529 NE2 GLN A 36 -6.983 4.204 -1.658 1.00 0.00 N ATOM 0 H GLN A 36 -5.313 0.260 -3.676 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.388 0.156 -1.388 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.200 0.538 -0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.810 1.526 -0.260 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.965 2.768 -2.345 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.115 1.630 -3.018 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.250 4.669 -2.193 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.747 4.749 -1.258 1.00 0.00 H new ATOM 538 N ILE A 37 -4.616 -1.845 -0.222 1.00 0.00 N ATOM 539 CA ILE A 37 -5.070 -3.202 0.183 1.00 0.00 C ATOM 540 C ILE A 37 -5.581 -3.152 1.625 1.00 0.00 C ATOM 541 O ILE A 37 -5.632 -2.105 2.239 1.00 0.00 O ATOM 542 CB ILE A 37 -3.901 -4.183 0.083 1.00 0.00 C ATOM 543 CG1 ILE A 37 -2.915 -3.921 1.225 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.192 -3.995 -1.259 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.815 -4.982 1.202 1.00 0.00 C ATOM 0 H ILE A 37 -4.091 -1.334 0.488 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.872 -3.533 -0.476 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.275 -5.204 0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.479 -2.927 1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.436 -3.943 2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.359 -4.694 -1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.894 -4.183 -2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.817 -2.974 -1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.113 -4.796 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.259 -5.970 1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.287 -4.938 0.249 1.00 0.00 H new ATOM 557 N CYS A 38 -5.954 -4.275 2.171 1.00 0.00 N ATOM 558 CA CYS A 38 -6.454 -4.292 3.571 1.00 0.00 C ATOM 559 C CYS A 38 -5.274 -4.535 4.516 1.00 0.00 C ATOM 560 O CYS A 38 -4.231 -5.009 4.109 1.00 0.00 O ATOM 561 CB CYS A 38 -7.515 -5.393 3.729 1.00 0.00 C ATOM 562 SG CYS A 38 -6.727 -7.021 3.827 1.00 0.00 S ATOM 0 H CYS A 38 -5.934 -5.183 1.706 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.916 -3.336 3.817 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.104 -5.213 4.628 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.205 -5.366 2.885 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.369 -7.860 3.069 1.00 0.00 H new ATOM 567 N ARG A 39 -5.417 -4.203 5.769 1.00 0.00 N ATOM 568 CA ARG A 39 -4.292 -4.406 6.723 1.00 0.00 C ATOM 569 C ARG A 39 -3.989 -5.900 6.861 1.00 0.00 C ATOM 570 O ARG A 39 -2.932 -6.287 7.318 1.00 0.00 O ATOM 571 CB ARG A 39 -4.665 -3.832 8.091 1.00 0.00 C ATOM 572 CG ARG A 39 -3.703 -2.697 8.443 1.00 0.00 C ATOM 573 CD ARG A 39 -4.498 -1.482 8.924 1.00 0.00 C ATOM 574 NE ARG A 39 -3.633 -0.639 9.795 1.00 0.00 N ATOM 575 CZ ARG A 39 -3.222 -1.097 10.945 1.00 0.00 C ATOM 576 NH1 ARG A 39 -3.974 -1.917 11.628 1.00 0.00 N ATOM 577 NH2 ARG A 39 -2.059 -0.736 11.413 1.00 0.00 N ATOM 0 H ARG A 39 -6.263 -3.801 6.173 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.408 -3.894 6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.691 -3.463 8.076 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.618 -4.612 8.851 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.010 -3.022 9.219 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.104 -2.431 7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.849 -0.902 8.070 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.381 -1.806 9.474 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.362 0.297 9.492 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.883 -2.200 11.262 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.652 -2.275 12.527 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.471 -0.096 10.880 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.738 -1.094 12.312 1.00 0.00 H new ATOM 591 N PHE A 40 -4.903 -6.744 6.471 1.00 0.00 N ATOM 592 CA PHE A 40 -4.655 -8.209 6.586 1.00 0.00 C ATOM 593 C PHE A 40 -3.802 -8.676 5.405 1.00 0.00 C ATOM 594 O PHE A 40 -3.158 -9.704 5.460 1.00 0.00 O ATOM 595 CB PHE A 40 -5.988 -8.955 6.585 1.00 0.00 C ATOM 596 CG PHE A 40 -6.511 -9.041 7.999 1.00 0.00 C ATOM 597 CD1 PHE A 40 -5.886 -9.885 8.924 1.00 0.00 C ATOM 598 CD2 PHE A 40 -7.616 -8.275 8.386 1.00 0.00 C ATOM 599 CE1 PHE A 40 -6.365 -9.964 10.236 1.00 0.00 C ATOM 600 CE2 PHE A 40 -8.097 -8.354 9.698 1.00 0.00 C ATOM 601 CZ PHE A 40 -7.471 -9.199 10.624 1.00 0.00 C ATOM 0 H PHE A 40 -5.808 -6.484 6.079 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.127 -8.417 7.517 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.707 -8.438 5.950 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.858 -9.955 6.171 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.033 -10.476 8.625 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.098 -7.623 7.672 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.882 -10.615 10.949 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.951 -7.764 9.997 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.842 -9.260 11.637 1.00 0.00 H new ATOM 611 N CYS A 41 -3.786 -7.922 4.341 1.00 0.00 N ATOM 612 CA CYS A 41 -2.967 -8.314 3.161 1.00 0.00 C ATOM 613 C CYS A 41 -1.579 -7.688 3.300 1.00 0.00 C ATOM 614 O CYS A 41 -0.604 -8.188 2.776 1.00 0.00 O ATOM 615 CB CYS A 41 -3.636 -7.811 1.877 1.00 0.00 C ATOM 616 SG CYS A 41 -4.867 -9.018 1.323 1.00 0.00 S ATOM 0 H CYS A 41 -4.306 -7.050 4.238 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.882 -9.400 3.111 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.112 -6.847 2.056 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.887 -7.657 1.100 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.890 -8.394 0.818 1.00 0.00 H new ATOM 621 N TRP A 42 -1.486 -6.596 4.008 1.00 0.00 N ATOM 622 CA TRP A 42 -0.165 -5.934 4.193 1.00 0.00 C ATOM 623 C TRP A 42 0.571 -6.596 5.359 1.00 0.00 C ATOM 624 O TRP A 42 1.756 -6.404 5.549 1.00 0.00 O ATOM 625 CB TRP A 42 -0.381 -4.449 4.497 1.00 0.00 C ATOM 626 CG TRP A 42 0.932 -3.801 4.790 1.00 0.00 C ATOM 627 CD1 TRP A 42 1.834 -3.418 3.857 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.506 -3.451 6.082 1.00 0.00 C ATOM 629 NE1 TRP A 42 2.925 -2.854 4.496 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.769 -2.853 5.868 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.055 -3.594 7.406 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.559 -2.412 6.931 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.846 -3.152 8.479 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.096 -2.562 8.242 1.00 0.00 C ATOM 0 H TRP A 42 -2.270 -6.133 4.467 1.00 0.00 H new ATOM 0 HA TRP A 42 0.429 -6.034 3.285 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.858 -3.959 3.648 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.052 -4.336 5.349 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.721 -3.533 2.789 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.744 -2.485 4.013 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.094 -4.047 7.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.521 -1.958 6.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.490 -3.267 9.492 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.700 -2.224 9.071 1.00 0.00 H new ATOM 645 N HIS A 43 -0.125 -7.376 6.142 1.00 0.00 N ATOM 646 CA HIS A 43 0.530 -8.053 7.297 1.00 0.00 C ATOM 647 C HIS A 43 1.158 -9.370 6.831 1.00 0.00 C ATOM 648 O HIS A 43 1.689 -10.128 7.618 1.00 0.00 O ATOM 649 CB HIS A 43 -0.515 -8.343 8.378 1.00 0.00 C ATOM 650 CG HIS A 43 -0.210 -7.526 9.604 1.00 0.00 C ATOM 651 ND1 HIS A 43 0.976 -7.668 10.308 1.00 0.00 N ATOM 652 CD2 HIS A 43 -0.923 -6.556 10.261 1.00 0.00 C ATOM 653 CE1 HIS A 43 0.940 -6.803 11.338 1.00 0.00 C ATOM 654 NE2 HIS A 43 -0.195 -6.101 11.357 1.00 0.00 N ATOM 0 H HIS A 43 -1.120 -7.573 6.031 1.00 0.00 H new ATOM 0 HA HIS A 43 1.306 -7.404 7.704 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.512 -8.104 8.008 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.512 -9.404 8.626 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.901 -6.199 9.972 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.734 -6.690 12.062 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.470 -5.385 12.030 1.00 0.00 H new ATOM 662 N ARG A 44 1.100 -9.652 5.556 1.00 0.00 N ATOM 663 CA ARG A 44 1.693 -10.921 5.044 1.00 0.00 C ATOM 664 C ARG A 44 2.526 -10.631 3.794 1.00 0.00 C ATOM 665 O ARG A 44 3.651 -11.074 3.669 1.00 0.00 O ATOM 666 CB ARG A 44 0.572 -11.901 4.692 1.00 0.00 C ATOM 667 CG ARG A 44 0.863 -13.261 5.328 1.00 0.00 C ATOM 668 CD ARG A 44 0.802 -14.351 4.256 1.00 0.00 C ATOM 669 NE ARG A 44 -0.620 -14.607 3.889 1.00 0.00 N ATOM 670 CZ ARG A 44 -1.147 -14.003 2.860 1.00 0.00 C ATOM 671 NH1 ARG A 44 -1.740 -12.850 3.013 1.00 0.00 N ATOM 672 NH2 ARG A 44 -1.084 -14.551 1.677 1.00 0.00 N ATOM 0 H ARG A 44 0.668 -9.058 4.848 1.00 0.00 H new ATOM 0 HA ARG A 44 2.332 -11.357 5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.385 -11.519 5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.491 -12.004 3.610 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.847 -13.252 5.796 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.138 -13.469 6.114 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.366 -14.043 3.376 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.264 -15.266 4.626 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.181 -15.255 4.443 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.791 -12.421 3.937 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.152 -12.378 2.208 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.622 -15.453 1.556 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.496 -14.078 0.873 1.00 0.00 H new ATOM 686 N ILE A 45 1.983 -9.892 2.866 1.00 0.00 N ATOM 687 CA ILE A 45 2.746 -9.574 1.626 1.00 0.00 C ATOM 688 C ILE A 45 4.147 -9.087 2.003 1.00 0.00 C ATOM 689 O ILE A 45 5.103 -9.295 1.282 1.00 0.00 O ATOM 690 CB ILE A 45 2.014 -8.481 0.844 1.00 0.00 C ATOM 691 CG1 ILE A 45 0.670 -9.023 0.346 1.00 0.00 C ATOM 692 CG2 ILE A 45 2.860 -8.051 -0.356 1.00 0.00 C ATOM 693 CD1 ILE A 45 -0.241 -7.856 -0.039 1.00 0.00 C ATOM 0 H ILE A 45 1.045 -9.495 2.913 1.00 0.00 H new ATOM 0 HA ILE A 45 2.828 -10.467 1.007 1.00 0.00 H new ATOM 0 HB ILE A 45 1.846 -7.624 1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.825 -9.676 -0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.199 -9.625 1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.336 -7.273 -0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.818 -7.665 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.030 -8.908 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.197 -8.242 -0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.406 -7.221 0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.230 -7.272 -0.830 1.00 0.00 H new ATOM 705 N ARG A 46 4.276 -8.438 3.129 1.00 0.00 N ATOM 706 CA ARG A 46 5.615 -7.938 3.552 1.00 0.00 C ATOM 707 C ARG A 46 6.345 -9.029 4.342 1.00 0.00 C ATOM 708 O ARG A 46 7.558 -9.099 4.348 1.00 0.00 O ATOM 709 CB ARG A 46 5.441 -6.698 4.435 1.00 0.00 C ATOM 710 CG ARG A 46 6.763 -6.378 5.139 1.00 0.00 C ATOM 711 CD ARG A 46 6.841 -4.879 5.431 1.00 0.00 C ATOM 712 NE ARG A 46 8.099 -4.585 6.174 1.00 0.00 N ATOM 713 CZ ARG A 46 8.177 -4.841 7.450 1.00 0.00 C ATOM 714 NH1 ARG A 46 7.168 -4.574 8.233 1.00 0.00 N ATOM 715 NH2 ARG A 46 9.264 -5.367 7.945 1.00 0.00 N ATOM 0 H ARG A 46 3.512 -8.233 3.773 1.00 0.00 H new ATOM 0 HA ARG A 46 6.200 -7.678 2.670 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.126 -5.849 3.829 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.657 -6.872 5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.838 -6.944 6.068 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.602 -6.681 4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.815 -4.314 4.499 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.977 -4.566 6.018 1.00 0.00 H new ATOM 0 HE ARG A 46 8.899 -4.184 5.684 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.317 -4.165 7.847 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.230 -4.775 9.231 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.053 -5.578 7.334 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.325 -5.567 8.943 1.00 0.00 H new ATOM 729 N THR A 47 5.615 -9.876 5.014 1.00 0.00 N ATOM 730 CA THR A 47 6.266 -10.957 5.811 1.00 0.00 C ATOM 731 C THR A 47 6.410 -12.219 4.955 1.00 0.00 C ATOM 732 O THR A 47 7.496 -12.594 4.558 1.00 0.00 O ATOM 733 CB THR A 47 5.405 -11.271 7.037 1.00 0.00 C ATOM 734 OG1 THR A 47 4.714 -10.096 7.439 1.00 0.00 O ATOM 735 CG2 THR A 47 6.297 -11.758 8.181 1.00 0.00 C ATOM 0 H THR A 47 4.596 -9.867 5.046 1.00 0.00 H new ATOM 0 HA THR A 47 7.254 -10.624 6.130 1.00 0.00 H new ATOM 0 HB THR A 47 4.685 -12.050 6.786 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.749 -10.269 7.444 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.682 -11.981 9.053 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.827 -12.659 7.871 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.019 -10.982 8.435 1.00 0.00 H new ATOM 743 N ASP A 48 5.321 -12.883 4.676 1.00 0.00 N ATOM 744 CA ASP A 48 5.392 -14.125 3.856 1.00 0.00 C ATOM 745 C ASP A 48 5.973 -13.805 2.477 1.00 0.00 C ATOM 746 O ASP A 48 6.548 -14.653 1.825 1.00 0.00 O ATOM 747 CB ASP A 48 3.987 -14.708 3.694 1.00 0.00 C ATOM 748 CG ASP A 48 3.766 -15.803 4.739 1.00 0.00 C ATOM 749 OD1 ASP A 48 4.277 -15.658 5.838 1.00 0.00 O ATOM 750 OD2 ASP A 48 3.090 -16.769 4.423 1.00 0.00 O ATOM 0 H ASP A 48 4.384 -12.618 4.981 1.00 0.00 H new ATOM 0 HA ASP A 48 6.034 -14.850 4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.240 -13.923 3.811 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.865 -15.117 2.691 1.00 0.00 H new ATOM 755 N GLU A 49 5.827 -12.590 2.026 1.00 0.00 N ATOM 756 CA GLU A 49 6.371 -12.226 0.688 1.00 0.00 C ATOM 757 C GLU A 49 7.411 -11.116 0.842 1.00 0.00 C ATOM 758 O GLU A 49 7.887 -10.842 1.926 1.00 0.00 O ATOM 759 CB GLU A 49 5.233 -11.736 -0.208 1.00 0.00 C ATOM 760 CG GLU A 49 4.936 -12.789 -1.277 1.00 0.00 C ATOM 761 CD GLU A 49 4.599 -14.120 -0.603 1.00 0.00 C ATOM 762 OE1 GLU A 49 3.764 -14.116 0.287 1.00 0.00 O ATOM 763 OE2 GLU A 49 5.182 -15.121 -0.986 1.00 0.00 O ATOM 0 H GLU A 49 5.356 -11.835 2.525 1.00 0.00 H new ATOM 0 HA GLU A 49 6.839 -13.101 0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.341 -11.547 0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.507 -10.792 -0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.103 -12.464 -1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.798 -12.910 -1.933 1.00 0.00 H new ATOM 770 N ASN A 50 7.767 -10.475 -0.237 1.00 0.00 N ATOM 771 CA ASN A 50 8.776 -9.384 -0.158 1.00 0.00 C ATOM 772 C ASN A 50 8.094 -8.090 0.294 1.00 0.00 C ATOM 773 O ASN A 50 8.582 -7.391 1.159 1.00 0.00 O ATOM 774 CB ASN A 50 9.410 -9.175 -1.535 1.00 0.00 C ATOM 775 CG ASN A 50 10.927 -9.335 -1.427 1.00 0.00 C ATOM 776 OD1 ASN A 50 11.432 -9.777 -0.413 1.00 0.00 O ATOM 777 ND2 ASN A 50 11.681 -8.994 -2.435 1.00 0.00 N ATOM 0 H ASN A 50 7.402 -10.661 -1.171 1.00 0.00 H new ATOM 0 HA ASN A 50 9.550 -9.655 0.560 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.007 -9.896 -2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.164 -8.183 -1.914 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.694 -9.098 -2.373 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.258 -8.623 -3.286 1.00 0.00 H new ATOM 784 N GLY A 51 6.969 -7.768 -0.284 1.00 0.00 N ATOM 785 CA GLY A 51 6.258 -6.520 0.114 1.00 0.00 C ATOM 786 C GLY A 51 6.265 -5.534 -1.055 1.00 0.00 C ATOM 787 O GLY A 51 6.232 -4.333 -0.869 1.00 0.00 O ATOM 0 H GLY A 51 6.512 -8.315 -1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.233 -6.750 0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.742 -6.074 0.983 1.00 0.00 H new ATOM 791 N LEU A 52 6.311 -6.032 -2.261 1.00 0.00 N ATOM 792 CA LEU A 52 6.323 -5.123 -3.441 1.00 0.00 C ATOM 793 C LEU A 52 4.890 -4.861 -3.905 1.00 0.00 C ATOM 794 O LEU A 52 3.942 -5.408 -3.376 1.00 0.00 O ATOM 795 CB LEU A 52 7.109 -5.774 -4.583 1.00 0.00 C ATOM 796 CG LEU A 52 8.611 -5.648 -4.324 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.378 -6.048 -5.586 1.00 0.00 C ATOM 798 CD2 LEU A 52 8.953 -4.200 -3.965 1.00 0.00 C ATOM 0 H LEU A 52 6.341 -7.028 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 52 6.794 -4.181 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.834 -6.825 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.854 -5.297 -5.529 1.00 0.00 H new ATOM 0 HG LEU A 52 8.891 -6.303 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.449 -5.959 -5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.138 -7.079 -5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.094 -5.391 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.024 -4.114 -3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.673 -3.545 -4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.406 -3.909 -3.068 1.00 0.00 H new ATOM 810 N CYS A 53 4.730 -4.026 -4.893 1.00 0.00 N ATOM 811 CA CYS A 53 3.362 -3.716 -5.405 1.00 0.00 C ATOM 812 C CYS A 53 2.992 -4.699 -6.525 1.00 0.00 C ATOM 813 O CYS A 53 3.654 -4.745 -7.543 1.00 0.00 O ATOM 814 CB CYS A 53 3.341 -2.294 -5.967 1.00 0.00 C ATOM 815 SG CYS A 53 1.637 -1.692 -6.051 1.00 0.00 S ATOM 0 H CYS A 53 5.490 -3.542 -5.371 1.00 0.00 H new ATOM 0 HA CYS A 53 2.646 -3.805 -4.588 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.938 -1.635 -5.336 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.791 -2.279 -6.960 1.00 0.00 H new ATOM 0 HG CYS A 53 1.188 -1.491 -4.848 1.00 0.00 H new ATOM 820 N PRO A 54 1.938 -5.447 -6.312 1.00 0.00 N ATOM 821 CA PRO A 54 1.456 -6.424 -7.303 1.00 0.00 C ATOM 822 C PRO A 54 0.693 -5.705 -8.420 1.00 0.00 C ATOM 823 O PRO A 54 0.195 -6.321 -9.341 1.00 0.00 O ATOM 824 CB PRO A 54 0.521 -7.326 -6.493 1.00 0.00 C ATOM 825 CG PRO A 54 0.079 -6.502 -5.261 1.00 0.00 C ATOM 826 CD PRO A 54 1.133 -5.394 -5.075 1.00 0.00 C ATOM 0 HA PRO A 54 2.257 -6.981 -7.788 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.341 -7.627 -7.089 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.031 -8.239 -6.187 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.911 -6.073 -5.416 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.018 -7.133 -4.374 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.666 -4.418 -4.946 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.747 -5.573 -4.192 1.00 0.00 H new ATOM 834 N ALA A 55 0.595 -4.402 -8.341 1.00 0.00 N ATOM 835 CA ALA A 55 -0.139 -3.642 -9.394 1.00 0.00 C ATOM 836 C ALA A 55 0.847 -2.812 -10.224 1.00 0.00 C ATOM 837 O ALA A 55 0.866 -2.890 -11.436 1.00 0.00 O ATOM 838 CB ALA A 55 -1.156 -2.709 -8.734 1.00 0.00 C ATOM 0 H ALA A 55 0.992 -3.833 -7.593 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.655 -4.346 -10.047 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.693 -2.153 -9.503 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.864 -3.297 -8.150 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.637 -2.011 -8.078 1.00 0.00 H new ATOM 844 N CYS A 56 1.662 -2.012 -9.586 1.00 0.00 N ATOM 845 CA CYS A 56 2.632 -1.179 -10.355 1.00 0.00 C ATOM 846 C CYS A 56 4.054 -1.725 -10.166 1.00 0.00 C ATOM 847 O CYS A 56 4.982 -1.304 -10.826 1.00 0.00 O ATOM 848 CB CYS A 56 2.549 0.282 -9.875 1.00 0.00 C ATOM 849 SG CYS A 56 3.601 0.543 -8.417 1.00 0.00 S ATOM 0 H CYS A 56 1.698 -1.900 -8.573 1.00 0.00 H new ATOM 0 HA CYS A 56 2.384 -1.218 -11.416 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.859 0.951 -10.677 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.516 0.532 -9.633 1.00 0.00 H new ATOM 0 HG CYS A 56 3.085 -0.071 -7.394 1.00 0.00 H new ATOM 854 N ARG A 57 4.230 -2.648 -9.260 1.00 0.00 N ATOM 855 CA ARG A 57 5.590 -3.211 -9.019 1.00 0.00 C ATOM 856 C ARG A 57 6.479 -2.135 -8.395 1.00 0.00 C ATOM 857 O ARG A 57 7.346 -1.576 -9.036 1.00 0.00 O ATOM 858 CB ARG A 57 6.199 -3.684 -10.339 1.00 0.00 C ATOM 859 CG ARG A 57 6.120 -5.210 -10.412 1.00 0.00 C ATOM 860 CD ARG A 57 7.526 -5.788 -10.584 1.00 0.00 C ATOM 861 NE ARG A 57 7.436 -7.120 -11.248 1.00 0.00 N ATOM 862 CZ ARG A 57 8.519 -7.711 -11.674 1.00 0.00 C ATOM 863 NH1 ARG A 57 9.071 -8.654 -10.960 1.00 0.00 N ATOM 864 NH2 ARG A 57 9.050 -7.357 -12.812 1.00 0.00 N ATOM 0 H ARG A 57 3.490 -3.037 -8.675 1.00 0.00 H new ATOM 0 HA ARG A 57 5.515 -4.060 -8.340 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.665 -3.240 -11.179 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.236 -3.358 -10.412 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.662 -5.604 -9.505 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.487 -5.512 -11.246 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.138 -5.112 -11.181 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.012 -5.885 -9.613 1.00 0.00 H new ATOM 0 HE ARG A 57 6.528 -7.569 -11.369 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.656 -8.929 -10.070 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.917 -9.116 -11.292 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.619 -6.619 -13.368 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.896 -7.819 -13.145 1.00 0.00 H new ATOM 878 N LYS A 58 6.268 -1.851 -7.142 1.00 0.00 N ATOM 879 CA LYS A 58 7.087 -0.823 -6.447 1.00 0.00 C ATOM 880 C LYS A 58 7.216 -1.225 -4.978 1.00 0.00 C ATOM 881 O LYS A 58 6.366 -1.915 -4.453 1.00 0.00 O ATOM 882 CB LYS A 58 6.397 0.541 -6.550 1.00 0.00 C ATOM 883 CG LYS A 58 6.782 1.209 -7.873 1.00 0.00 C ATOM 884 CD LYS A 58 6.575 2.721 -7.764 1.00 0.00 C ATOM 885 CE LYS A 58 7.890 3.390 -7.360 1.00 0.00 C ATOM 886 NZ LYS A 58 8.545 3.966 -8.569 1.00 0.00 N ATOM 0 H LYS A 58 5.554 -2.293 -6.563 1.00 0.00 H new ATOM 0 HA LYS A 58 8.073 -0.754 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.315 0.419 -6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.691 1.173 -5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.823 0.991 -8.113 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.176 0.806 -8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.230 3.121 -8.717 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.802 2.940 -7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.701 4.174 -6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.550 2.663 -6.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.439 4.421 -8.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.738 3.208 -9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.916 4.672 -9.002 1.00 0.00 H new ATOM 900 N PRO A 59 8.273 -0.791 -4.356 1.00 0.00 N ATOM 901 CA PRO A 59 8.532 -1.109 -2.944 1.00 0.00 C ATOM 902 C PRO A 59 7.619 -0.284 -2.032 1.00 0.00 C ATOM 903 O PRO A 59 7.611 0.931 -2.075 1.00 0.00 O ATOM 904 CB PRO A 59 10.006 -0.738 -2.757 1.00 0.00 C ATOM 905 CG PRO A 59 10.348 0.270 -3.881 1.00 0.00 C ATOM 906 CD PRO A 59 9.301 0.058 -4.991 1.00 0.00 C ATOM 0 HA PRO A 59 8.333 -2.150 -2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.174 -0.296 -1.775 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.640 -1.622 -2.822 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.316 1.293 -3.507 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.356 0.101 -4.261 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.882 1.005 -5.331 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.737 -0.429 -5.863 1.00 0.00 H new ATOM 914 N TYR A 60 6.844 -0.941 -1.210 1.00 0.00 N ATOM 915 CA TYR A 60 5.922 -0.208 -0.297 1.00 0.00 C ATOM 916 C TYR A 60 6.697 0.861 0.476 1.00 0.00 C ATOM 917 O TYR A 60 7.903 0.781 0.598 1.00 0.00 O ATOM 918 CB TYR A 60 5.294 -1.196 0.692 1.00 0.00 C ATOM 919 CG TYR A 60 4.434 -2.199 -0.048 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.157 -2.023 -1.411 1.00 0.00 C ATOM 921 CD2 TYR A 60 3.911 -3.305 0.633 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.361 -2.949 -2.089 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.112 -4.233 -0.048 1.00 0.00 C ATOM 924 CZ TYR A 60 2.838 -4.054 -1.409 1.00 0.00 C ATOM 925 OH TYR A 60 2.051 -4.965 -2.080 1.00 0.00 O ATOM 0 H TYR A 60 6.811 -1.957 -1.132 1.00 0.00 H new ATOM 0 HA TYR A 60 5.139 0.271 -0.885 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.076 -1.715 1.246 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.691 -0.657 1.422 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.560 -1.170 -1.937 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.123 -3.443 1.683 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.149 -2.812 -3.139 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.708 -5.086 0.477 1.00 0.00 H new ATOM 0 HH TYR A 60 2.612 -5.689 -2.427 1.00 0.00 H new ATOM 935 N PRO A 61 5.976 1.832 0.981 1.00 0.00 N ATOM 936 CA PRO A 61 6.567 2.935 1.756 1.00 0.00 C ATOM 937 C PRO A 61 6.904 2.470 3.178 1.00 0.00 C ATOM 938 O PRO A 61 7.060 1.291 3.435 1.00 0.00 O ATOM 939 CB PRO A 61 5.465 3.998 1.769 1.00 0.00 C ATOM 940 CG PRO A 61 4.136 3.252 1.508 1.00 0.00 C ATOM 941 CD PRO A 61 4.505 1.922 0.826 1.00 0.00 C ATOM 0 HA PRO A 61 7.500 3.306 1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.437 4.517 2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.644 4.752 1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.602 3.074 2.441 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.478 3.844 0.872 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.002 1.079 1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.214 1.918 -0.224 1.00 0.00 H new