USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 516 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 16 ASN : amide:sc= -0.4 X(o=-1.2,f=-1.3) USER MOD Set 1.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 55 THR OG1 : rot -170:sc= -0.805 USER MOD Set 2.1: A 25 MET CE :methyl -171:sc= -2.5 (180deg=-2.1) USER MOD Set 2.2: A 45 MET CE :methyl -149:sc= -4! (180deg=-9.12!) USER MOD Set 3.1: A 19 TYR OH : rot 75:sc= 0.0292 USER MOD Set 3.2: A 51 CYS SG : rot 23:sc= -1.66 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc=-0.00451 X(o=-0.0045,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.06 K(o=-2.1,f=-0.15) USER MOD Single : A 56 TYR OH : rot -22:sc= -0.379 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 167:sc= -0.519 (180deg=-0.959) USER MOD Single : A 61 SER OG : rot -94:sc= 0.0177 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc=-0.00395 X(o=-0.0039,f=-0.0046) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 76 SER OG : rot -53:sc= 0.0765 USER MOD Single : A 78 GLN : amide:sc=-0.000261 X(o=-0.00026,f=-0.096) USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.268) USER MOD Single : A 82 ASN : amide:sc= -0.689 K(o=-0.69,f=-2) USER MOD ----------------------------------------------------------------- ATOM 206 N ASN A 16 6.707 7.818 -1.230 1.00 0.00 N ATOM 207 CA ASN A 16 7.544 6.817 -1.882 1.00 0.00 C ATOM 208 C ASN A 16 7.339 5.442 -1.254 1.00 0.00 C ATOM 209 O ASN A 16 7.271 4.431 -1.953 1.00 0.00 O ATOM 210 CB ASN A 16 9.018 7.217 -1.791 1.00 0.00 C ATOM 211 CG ASN A 16 9.467 7.449 -0.361 1.00 0.00 C ATOM 212 OD1 ASN A 16 8.979 8.355 0.315 1.00 0.00 O ATOM 213 ND2 ASN A 16 10.401 6.628 0.106 1.00 0.00 N ATOM 0 HA ASN A 16 7.252 6.764 -2.931 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.632 6.436 -2.239 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.182 8.124 -2.372 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.742 6.735 1.061 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.777 5.891 -0.491 1.00 0.00 H new ATOM 220 N THR A 17 7.239 5.413 0.072 1.00 0.00 N ATOM 221 CA THR A 17 7.042 4.163 0.796 1.00 0.00 C ATOM 222 C THR A 17 5.562 3.807 0.885 1.00 0.00 C ATOM 223 O THR A 17 4.697 4.679 0.796 1.00 0.00 O ATOM 224 CB THR A 17 7.627 4.240 2.219 1.00 0.00 C ATOM 225 OG1 THR A 17 8.909 4.875 2.188 1.00 0.00 O ATOM 226 CG2 THR A 17 7.758 2.851 2.825 1.00 0.00 C ATOM 0 H THR A 17 7.291 6.241 0.666 1.00 0.00 H new ATOM 0 HA THR A 17 7.566 3.388 0.237 1.00 0.00 H new ATOM 0 HB THR A 17 6.947 4.827 2.837 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.273 4.921 3.097 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.173 2.930 3.830 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.776 2.381 2.874 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.419 2.245 2.206 1.00 0.00 H new ATOM 234 N LEU A 18 5.277 2.522 1.062 1.00 0.00 N ATOM 235 CA LEU A 18 3.901 2.050 1.164 1.00 0.00 C ATOM 236 C LEU A 18 3.748 1.063 2.317 1.00 0.00 C ATOM 237 O LEU A 18 4.500 0.094 2.421 1.00 0.00 O ATOM 238 CB LEU A 18 3.467 1.393 -0.147 1.00 0.00 C ATOM 239 CG LEU A 18 3.784 2.170 -1.425 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.637 1.275 -2.645 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.882 3.390 -1.545 1.00 0.00 C ATOM 0 H LEU A 18 5.981 1.788 1.138 1.00 0.00 H new ATOM 0 HA LEU A 18 3.261 2.911 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.942 0.414 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.391 1.224 -0.106 1.00 0.00 H new ATOM 0 HG LEU A 18 4.818 2.511 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.867 1.846 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.325 0.433 -2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.614 0.903 -2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.122 3.931 -2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.840 3.071 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.037 4.043 -0.686 1.00 0.00 H new ATOM 253 N TYR A 19 2.768 1.314 3.178 1.00 0.00 N ATOM 254 CA TYR A 19 2.516 0.448 4.323 1.00 0.00 C ATOM 255 C TYR A 19 1.639 -0.736 3.928 1.00 0.00 C ATOM 256 O TYR A 19 0.459 -0.573 3.617 1.00 0.00 O ATOM 257 CB TYR A 19 1.849 1.238 5.450 1.00 0.00 C ATOM 258 CG TYR A 19 1.908 0.544 6.793 1.00 0.00 C ATOM 259 CD1 TYR A 19 1.153 -0.595 7.043 1.00 0.00 C ATOM 260 CD2 TYR A 19 2.720 1.029 7.811 1.00 0.00 C ATOM 261 CE1 TYR A 19 1.203 -1.230 8.268 1.00 0.00 C ATOM 262 CE2 TYR A 19 2.778 0.398 9.039 1.00 0.00 C ATOM 263 CZ TYR A 19 2.017 -0.730 9.263 1.00 0.00 C ATOM 264 OH TYR A 19 2.071 -1.361 10.485 1.00 0.00 O ATOM 0 H TYR A 19 2.135 2.110 3.104 1.00 0.00 H new ATOM 0 HA TYR A 19 3.474 0.066 4.675 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.329 2.213 5.533 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.806 1.418 5.189 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.516 -0.991 6.266 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.315 1.914 7.640 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.608 -2.113 8.446 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.416 0.786 9.819 1.00 0.00 H new ATOM 0 HH TYR A 19 2.595 -2.185 10.405 1.00 0.00 H new ATOM 274 N VAL A 20 2.224 -1.930 3.943 1.00 0.00 N ATOM 275 CA VAL A 20 1.497 -3.143 3.588 1.00 0.00 C ATOM 276 C VAL A 20 1.231 -4.003 4.818 1.00 0.00 C ATOM 277 O VAL A 20 2.029 -4.029 5.756 1.00 0.00 O ATOM 278 CB VAL A 20 2.270 -3.977 2.550 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.397 -5.098 2.008 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.774 -3.089 1.422 1.00 0.00 C ATOM 0 H VAL A 20 3.200 -2.083 4.197 1.00 0.00 H new ATOM 0 HA VAL A 20 0.547 -2.828 3.155 1.00 0.00 H new ATOM 0 HB VAL A 20 3.133 -4.427 3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.960 -5.676 1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.091 -5.749 2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.513 -4.673 1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.318 -3.695 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.928 -2.609 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.438 -2.326 1.828 1.00 0.00 H new ATOM 290 N TYR A 21 0.103 -4.706 4.808 1.00 0.00 N ATOM 291 CA TYR A 21 -0.270 -5.567 5.924 1.00 0.00 C ATOM 292 C TYR A 21 -0.903 -6.862 5.425 1.00 0.00 C ATOM 293 O TYR A 21 -1.896 -6.842 4.699 1.00 0.00 O ATOM 294 CB TYR A 21 -1.241 -4.838 6.855 1.00 0.00 C ATOM 295 CG TYR A 21 -1.852 -5.730 7.912 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.900 -6.588 7.603 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.382 -5.714 9.219 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.462 -7.405 8.565 1.00 0.00 C ATOM 299 CE2 TYR A 21 -1.937 -6.528 10.188 1.00 0.00 C ATOM 300 CZ TYR A 21 -2.977 -7.372 9.856 1.00 0.00 C ATOM 301 OH TYR A 21 -3.533 -8.183 10.818 1.00 0.00 O ATOM 0 H TYR A 21 -0.568 -4.696 4.040 1.00 0.00 H new ATOM 0 HA TYR A 21 0.636 -5.816 6.477 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.716 -4.017 7.344 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.039 -4.396 6.259 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.282 -6.617 6.593 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.569 -5.054 9.482 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.277 -8.066 8.308 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.559 -6.504 11.199 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.075 -8.038 11.672 1.00 0.00 H new ATOM 311 N GLY A 22 -0.319 -7.989 5.821 1.00 0.00 N ATOM 312 CA GLY A 22 -0.839 -9.279 5.406 1.00 0.00 C ATOM 313 C GLY A 22 -0.848 -10.291 6.534 1.00 0.00 C ATOM 314 O GLY A 22 -0.536 -9.958 7.677 1.00 0.00 O ATOM 0 H GLY A 22 0.504 -8.032 6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.853 -9.153 5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.236 -9.662 4.583 1.00 0.00 H new ATOM 318 N GLU A 23 -1.210 -11.529 6.214 1.00 0.00 N ATOM 319 CA GLU A 23 -1.261 -12.592 7.211 1.00 0.00 C ATOM 320 C GLU A 23 -0.436 -13.796 6.766 1.00 0.00 C ATOM 321 O GLU A 23 0.518 -14.190 7.437 1.00 0.00 O ATOM 322 CB GLU A 23 -2.710 -13.016 7.462 1.00 0.00 C ATOM 323 CG GLU A 23 -3.612 -11.874 7.897 1.00 0.00 C ATOM 324 CD GLU A 23 -3.643 -11.696 9.403 1.00 0.00 C ATOM 325 OE1 GLU A 23 -2.568 -11.467 9.996 1.00 0.00 O ATOM 326 OE2 GLU A 23 -4.743 -11.786 9.988 1.00 0.00 O ATOM 0 H GLU A 23 -1.472 -11.821 5.272 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.837 -12.207 8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.113 -13.459 6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.725 -13.792 8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.270 -10.949 7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.624 -12.057 7.536 1.00 0.00 H new ATOM 333 N ASP A 24 -0.812 -14.376 5.632 1.00 0.00 N ATOM 334 CA ASP A 24 -0.108 -15.536 5.096 1.00 0.00 C ATOM 335 C ASP A 24 0.659 -15.168 3.830 1.00 0.00 C ATOM 336 O ASP A 24 0.583 -15.869 2.821 1.00 0.00 O ATOM 337 CB ASP A 24 -1.094 -16.667 4.800 1.00 0.00 C ATOM 338 CG ASP A 24 -0.443 -18.034 4.863 1.00 0.00 C ATOM 339 OD1 ASP A 24 -0.423 -18.631 5.959 1.00 0.00 O ATOM 340 OD2 ASP A 24 0.047 -18.507 3.816 1.00 0.00 O ATOM 0 H ASP A 24 -1.600 -14.062 5.066 1.00 0.00 H new ATOM 0 HA ASP A 24 0.606 -15.875 5.846 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.915 -16.626 5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.526 -16.519 3.810 1.00 0.00 H new ATOM 345 N MET A 25 1.396 -14.064 3.890 1.00 0.00 N ATOM 346 CA MET A 25 2.176 -13.604 2.747 1.00 0.00 C ATOM 347 C MET A 25 3.666 -13.601 3.072 1.00 0.00 C ATOM 348 O MET A 25 4.059 -13.512 4.236 1.00 0.00 O ATOM 349 CB MET A 25 1.731 -12.200 2.330 1.00 0.00 C ATOM 350 CG MET A 25 1.208 -11.361 3.484 1.00 0.00 C ATOM 351 SD MET A 25 2.448 -11.091 4.765 1.00 0.00 S ATOM 352 CE MET A 25 2.629 -9.310 4.690 1.00 0.00 C ATOM 0 H MET A 25 1.470 -13.472 4.717 1.00 0.00 H new ATOM 0 HA MET A 25 2.003 -14.293 1.920 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.572 -11.683 1.868 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.953 -12.285 1.571 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.869 -10.398 3.103 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.340 -11.854 3.922 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.473 -9.004 5.308 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.805 -9.005 3.658 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.719 -8.836 5.058 1.00 0.00 H new ATOM 362 N THR A 26 4.494 -13.700 2.036 1.00 0.00 N ATOM 363 CA THR A 26 5.941 -13.711 2.212 1.00 0.00 C ATOM 364 C THR A 26 6.607 -12.645 1.350 1.00 0.00 C ATOM 365 O THR A 26 6.086 -12.236 0.312 1.00 0.00 O ATOM 366 CB THR A 26 6.539 -15.087 1.861 1.00 0.00 C ATOM 367 OG1 THR A 26 5.942 -15.589 0.661 1.00 0.00 O ATOM 368 CG2 THR A 26 6.320 -16.077 2.995 1.00 0.00 C ATOM 0 H THR A 26 4.187 -13.774 1.066 1.00 0.00 H new ATOM 0 HA THR A 26 6.134 -13.497 3.263 1.00 0.00 H new ATOM 0 HB THR A 26 7.611 -14.964 1.709 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.329 -16.463 0.444 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.750 -17.041 2.724 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.801 -15.706 3.900 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.251 -16.194 3.174 1.00 0.00 H new ATOM 376 N PRO A 27 7.788 -12.183 1.787 1.00 0.00 N ATOM 377 CA PRO A 27 8.552 -11.159 1.069 1.00 0.00 C ATOM 378 C PRO A 27 8.676 -11.465 -0.420 1.00 0.00 C ATOM 379 O PRO A 27 8.239 -10.683 -1.265 1.00 0.00 O ATOM 380 CB PRO A 27 9.927 -11.205 1.741 1.00 0.00 C ATOM 381 CG PRO A 27 9.661 -11.723 3.112 1.00 0.00 C ATOM 382 CD PRO A 27 8.469 -12.625 3.016 1.00 0.00 C ATOM 0 HA PRO A 27 8.071 -10.182 1.119 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.612 -11.856 1.198 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.385 -10.217 1.773 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.526 -12.266 3.494 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.469 -10.903 3.804 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.765 -13.672 2.954 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.823 -12.527 3.888 1.00 0.00 H new ATOM 390 N THR A 28 9.275 -12.609 -0.736 1.00 0.00 N ATOM 391 CA THR A 28 9.457 -13.019 -2.123 1.00 0.00 C ATOM 392 C THR A 28 8.177 -12.824 -2.926 1.00 0.00 C ATOM 393 O THR A 28 8.220 -12.482 -4.109 1.00 0.00 O ATOM 394 CB THR A 28 9.891 -14.494 -2.220 1.00 0.00 C ATOM 395 OG1 THR A 28 11.073 -14.709 -1.441 1.00 0.00 O ATOM 396 CG2 THR A 28 10.153 -14.886 -3.666 1.00 0.00 C ATOM 0 H THR A 28 9.642 -13.268 -0.050 1.00 0.00 H new ATOM 0 HA THR A 28 10.243 -12.388 -2.539 1.00 0.00 H new ATOM 0 HB THR A 28 9.083 -15.114 -1.832 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.341 -15.649 -1.506 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.458 -15.932 -3.710 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.243 -14.748 -4.251 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.946 -14.259 -4.075 1.00 0.00 H new ATOM 404 N LEU A 29 7.038 -13.043 -2.278 1.00 0.00 N ATOM 405 CA LEU A 29 5.743 -12.890 -2.933 1.00 0.00 C ATOM 406 C LEU A 29 5.483 -11.430 -3.292 1.00 0.00 C ATOM 407 O LEU A 29 5.119 -11.113 -4.425 1.00 0.00 O ATOM 408 CB LEU A 29 4.627 -13.411 -2.027 1.00 0.00 C ATOM 409 CG LEU A 29 3.296 -13.723 -2.713 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.459 -14.658 -1.854 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.533 -12.439 -3.006 1.00 0.00 C ATOM 0 H LEU A 29 6.985 -13.327 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 29 5.758 -13.474 -3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.980 -14.317 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.446 -12.673 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 29 3.505 -14.222 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.516 -14.869 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.002 -15.590 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.259 -14.187 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.589 -12.680 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.335 -11.912 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.128 -11.804 -3.662 1.00 0.00 H new ATOM 423 N LEU A 30 5.675 -10.545 -2.320 1.00 0.00 N ATOM 424 CA LEU A 30 5.463 -9.117 -2.533 1.00 0.00 C ATOM 425 C LEU A 30 6.347 -8.599 -3.663 1.00 0.00 C ATOM 426 O LEU A 30 5.976 -7.667 -4.377 1.00 0.00 O ATOM 427 CB LEU A 30 5.752 -8.341 -1.247 1.00 0.00 C ATOM 428 CG LEU A 30 5.142 -8.913 0.033 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.326 -7.944 1.191 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.667 -9.226 -0.173 1.00 0.00 C ATOM 0 H LEU A 30 5.977 -10.791 -1.377 1.00 0.00 H new ATOM 0 HA LEU A 30 4.420 -8.967 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.833 -8.283 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.391 -7.320 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 30 5.660 -9.841 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.886 -8.368 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.390 -7.769 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.835 -7.000 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.249 -9.632 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.135 -8.313 -0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.559 -9.957 -0.974 1.00 0.00 H new ATOM 442 N ARG A 31 7.517 -9.210 -3.820 1.00 0.00 N ATOM 443 CA ARG A 31 8.454 -8.810 -4.863 1.00 0.00 C ATOM 444 C ARG A 31 7.814 -8.932 -6.243 1.00 0.00 C ATOM 445 O ARG A 31 7.995 -8.069 -7.101 1.00 0.00 O ATOM 446 CB ARG A 31 9.719 -9.667 -4.798 1.00 0.00 C ATOM 447 CG ARG A 31 10.779 -9.118 -3.858 1.00 0.00 C ATOM 448 CD ARG A 31 12.077 -9.904 -3.960 1.00 0.00 C ATOM 449 NE ARG A 31 13.140 -9.313 -3.152 1.00 0.00 N ATOM 450 CZ ARG A 31 14.301 -9.913 -2.913 1.00 0.00 C ATOM 451 NH1 ARG A 31 14.546 -11.115 -3.417 1.00 0.00 N ATOM 452 NH2 ARG A 31 15.219 -9.311 -2.168 1.00 0.00 N ATOM 0 H ARG A 31 7.838 -9.984 -3.238 1.00 0.00 H new ATOM 0 HA ARG A 31 8.722 -7.767 -4.696 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.449 -10.674 -4.479 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.142 -9.752 -5.799 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.968 -8.070 -4.093 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.411 -9.153 -2.833 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.905 -10.931 -3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.394 -9.946 -5.002 1.00 0.00 H new ATOM 0 HE ARG A 31 12.983 -8.389 -2.749 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.842 -11.581 -3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.438 -11.573 -3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.034 -8.387 -1.778 1.00 0.00 H new ATOM 0 HH22 ARG A 31 16.110 -9.772 -1.985 1.00 0.00 H new ATOM 466 N GLY A 32 7.066 -10.012 -6.450 1.00 0.00 N ATOM 467 CA GLY A 32 6.412 -10.228 -7.727 1.00 0.00 C ATOM 468 C GLY A 32 5.017 -9.636 -7.772 1.00 0.00 C ATOM 469 O GLY A 32 4.395 -9.577 -8.832 1.00 0.00 O ATOM 0 H GLY A 32 6.902 -10.741 -5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.016 -9.787 -8.520 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.356 -11.298 -7.926 1.00 0.00 H new ATOM 473 N ALA A 33 4.525 -9.199 -6.618 1.00 0.00 N ATOM 474 CA ALA A 33 3.195 -8.609 -6.529 1.00 0.00 C ATOM 475 C ALA A 33 3.257 -7.092 -6.670 1.00 0.00 C ATOM 476 O ALA A 33 2.332 -6.468 -7.190 1.00 0.00 O ATOM 477 CB ALA A 33 2.533 -8.993 -5.214 1.00 0.00 C ATOM 0 H ALA A 33 5.027 -9.242 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 33 2.596 -9.000 -7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.541 -8.545 -5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.445 -10.078 -5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.138 -8.632 -4.383 1.00 0.00 H new ATOM 483 N PHE A 34 4.353 -6.503 -6.202 1.00 0.00 N ATOM 484 CA PHE A 34 4.535 -5.058 -6.273 1.00 0.00 C ATOM 485 C PHE A 34 5.362 -4.674 -7.497 1.00 0.00 C ATOM 486 O PHE A 34 5.283 -3.547 -7.984 1.00 0.00 O ATOM 487 CB PHE A 34 5.215 -4.545 -5.002 1.00 0.00 C ATOM 488 CG PHE A 34 4.296 -4.478 -3.816 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.841 -5.638 -3.209 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.888 -3.256 -3.307 1.00 0.00 C ATOM 491 CE1 PHE A 34 2.995 -5.579 -2.118 1.00 0.00 C ATOM 492 CE2 PHE A 34 3.043 -3.191 -2.216 1.00 0.00 C ATOM 493 CZ PHE A 34 2.596 -4.354 -1.620 1.00 0.00 C ATOM 0 H PHE A 34 5.129 -7.005 -5.769 1.00 0.00 H new ATOM 0 HA PHE A 34 3.551 -4.597 -6.361 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.057 -5.194 -4.763 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.622 -3.552 -5.193 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.151 -6.599 -3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.235 -2.343 -3.769 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.646 -6.490 -1.655 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.732 -2.232 -1.829 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.936 -4.306 -0.767 1.00 0.00 H new ATOM 503 N SER A 35 6.156 -5.621 -7.988 1.00 0.00 N ATOM 504 CA SER A 35 7.001 -5.381 -9.152 1.00 0.00 C ATOM 505 C SER A 35 6.170 -4.898 -10.336 1.00 0.00 C ATOM 506 O SER A 35 6.522 -3.939 -11.025 1.00 0.00 O ATOM 507 CB SER A 35 7.757 -6.656 -9.530 1.00 0.00 C ATOM 508 OG SER A 35 7.955 -6.735 -10.931 1.00 0.00 O ATOM 0 H SER A 35 6.232 -6.560 -7.598 1.00 0.00 H new ATOM 0 HA SER A 35 7.720 -4.603 -8.895 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.721 -6.675 -9.022 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.199 -7.528 -9.189 1.00 0.00 H new ATOM 0 HG SER A 35 8.442 -7.558 -11.147 1.00 0.00 H new ATOM 514 N PRO A 36 5.040 -5.577 -10.581 1.00 0.00 N ATOM 515 CA PRO A 36 4.134 -5.235 -11.682 1.00 0.00 C ATOM 516 C PRO A 36 3.821 -3.744 -11.734 1.00 0.00 C ATOM 517 O PRO A 36 3.710 -3.160 -12.812 1.00 0.00 O ATOM 518 CB PRO A 36 2.869 -6.037 -11.363 1.00 0.00 C ATOM 519 CG PRO A 36 3.348 -7.192 -10.553 1.00 0.00 C ATOM 520 CD PRO A 36 4.558 -6.730 -9.802 1.00 0.00 C ATOM 0 HA PRO A 36 4.569 -5.467 -12.654 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.148 -5.436 -10.808 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.372 -6.371 -12.274 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.572 -7.528 -9.865 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.593 -8.038 -11.195 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.309 -6.445 -8.780 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.313 -7.514 -9.740 1.00 0.00 H new ATOM 528 N PHE A 37 3.680 -3.133 -10.563 1.00 0.00 N ATOM 529 CA PHE A 37 3.379 -1.708 -10.475 1.00 0.00 C ATOM 530 C PHE A 37 4.618 -0.871 -10.776 1.00 0.00 C ATOM 531 O PHE A 37 4.532 0.182 -11.405 1.00 0.00 O ATOM 532 CB PHE A 37 2.841 -1.364 -9.085 1.00 0.00 C ATOM 533 CG PHE A 37 1.491 -1.956 -8.800 1.00 0.00 C ATOM 534 CD1 PHE A 37 1.377 -3.221 -8.247 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.335 -1.247 -9.087 1.00 0.00 C ATOM 536 CE1 PHE A 37 0.135 -3.769 -7.983 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.909 -1.790 -8.825 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.009 -3.052 -8.274 1.00 0.00 C ATOM 0 H PHE A 37 3.769 -3.602 -9.661 1.00 0.00 H new ATOM 0 HA PHE A 37 2.617 -1.476 -11.219 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.548 -1.715 -8.334 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.782 -0.280 -8.985 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.269 -3.786 -8.019 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.407 -0.260 -9.520 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.060 -4.756 -7.550 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.803 -1.227 -9.051 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.980 -3.478 -8.071 1.00 0.00 H new ATOM 548 N GLY A 38 5.773 -1.348 -10.319 1.00 0.00 N ATOM 549 CA GLY A 38 7.014 -0.632 -10.548 1.00 0.00 C ATOM 550 C GLY A 38 8.222 -1.384 -10.026 1.00 0.00 C ATOM 551 O GLY A 38 8.150 -2.584 -9.769 1.00 0.00 O ATOM 0 H GLY A 38 5.870 -2.217 -9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.135 -0.453 -11.616 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.961 0.344 -10.066 1.00 0.00 H new ATOM 555 N ASN A 39 9.336 -0.675 -9.870 1.00 0.00 N ATOM 556 CA ASN A 39 10.566 -1.284 -9.377 1.00 0.00 C ATOM 557 C ASN A 39 10.693 -1.108 -7.867 1.00 0.00 C ATOM 558 O ASN A 39 10.643 0.011 -7.357 1.00 0.00 O ATOM 559 CB ASN A 39 11.780 -0.671 -10.078 1.00 0.00 C ATOM 560 CG ASN A 39 13.092 -1.153 -9.491 1.00 0.00 C ATOM 561 OD1 ASN A 39 13.353 -2.355 -9.429 1.00 0.00 O ATOM 562 ND2 ASN A 39 13.925 -0.215 -9.055 1.00 0.00 N ATOM 0 H ASN A 39 9.412 0.321 -10.078 1.00 0.00 H new ATOM 0 HA ASN A 39 10.528 -2.351 -9.598 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.747 -0.919 -11.139 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.729 0.415 -10.003 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.823 -0.479 -8.649 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.667 0.769 -9.126 1.00 0.00 H new ATOM 569 N ILE A 40 10.860 -2.220 -7.159 1.00 0.00 N ATOM 570 CA ILE A 40 10.997 -2.188 -5.708 1.00 0.00 C ATOM 571 C ILE A 40 12.440 -1.917 -5.298 1.00 0.00 C ATOM 572 O ILE A 40 13.330 -2.729 -5.549 1.00 0.00 O ATOM 573 CB ILE A 40 10.533 -3.510 -5.070 1.00 0.00 C ATOM 574 CG1 ILE A 40 9.102 -3.836 -5.502 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.629 -3.429 -3.554 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.718 -5.283 -5.281 1.00 0.00 C ATOM 0 H ILE A 40 10.904 -3.154 -7.566 1.00 0.00 H new ATOM 0 HA ILE A 40 10.362 -1.378 -5.349 1.00 0.00 H new ATOM 0 HB ILE A 40 11.187 -4.311 -5.414 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.411 -3.197 -4.952 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.986 -3.595 -6.559 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.297 -4.371 -3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.662 -3.239 -3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.996 -2.619 -3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.691 -5.441 -5.610 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.385 -5.928 -5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.801 -5.524 -4.221 1.00 0.00 H new ATOM 588 N ILE A 41 12.664 -0.771 -4.664 1.00 0.00 N ATOM 589 CA ILE A 41 13.999 -0.394 -4.216 1.00 0.00 C ATOM 590 C ILE A 41 14.166 -0.639 -2.720 1.00 0.00 C ATOM 591 O ILE A 41 15.285 -0.762 -2.222 1.00 0.00 O ATOM 592 CB ILE A 41 14.298 1.086 -4.519 1.00 0.00 C ATOM 593 CG1 ILE A 41 13.091 1.956 -4.161 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.669 1.262 -5.984 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.342 3.438 -4.336 1.00 0.00 C ATOM 0 H ILE A 41 11.938 -0.087 -4.449 1.00 0.00 H new ATOM 0 HA ILE A 41 14.704 -1.018 -4.765 1.00 0.00 H new ATOM 0 HB ILE A 41 15.144 1.403 -3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.245 1.663 -4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.808 1.763 -3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 41 14.877 2.313 -6.183 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.555 0.668 -6.209 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.841 0.931 -6.611 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.444 3.994 -4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 41 14.167 3.746 -3.694 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.595 3.644 -5.376 1.00 0.00 H new ATOM 607 N ASP A 42 13.046 -0.710 -2.009 1.00 0.00 N ATOM 608 CA ASP A 42 13.067 -0.942 -0.570 1.00 0.00 C ATOM 609 C ASP A 42 11.877 -1.794 -0.139 1.00 0.00 C ATOM 610 O ASP A 42 10.742 -1.319 -0.099 1.00 0.00 O ATOM 611 CB ASP A 42 13.057 0.388 0.184 1.00 0.00 C ATOM 612 CG ASP A 42 13.750 0.297 1.529 1.00 0.00 C ATOM 613 OD1 ASP A 42 13.105 -0.153 2.500 1.00 0.00 O ATOM 614 OD2 ASP A 42 14.937 0.674 1.612 1.00 0.00 O ATOM 0 H ASP A 42 12.112 -0.610 -2.406 1.00 0.00 H new ATOM 0 HA ASP A 42 13.983 -1.480 -0.328 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.547 1.150 -0.423 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.026 0.711 0.331 1.00 0.00 H new ATOM 619 N LEU A 43 12.144 -3.056 0.181 1.00 0.00 N ATOM 620 CA LEU A 43 11.095 -3.975 0.607 1.00 0.00 C ATOM 621 C LEU A 43 11.466 -4.652 1.923 1.00 0.00 C ATOM 622 O LEU A 43 12.368 -5.487 1.970 1.00 0.00 O ATOM 623 CB LEU A 43 10.846 -5.032 -0.470 1.00 0.00 C ATOM 624 CG LEU A 43 10.096 -6.286 -0.020 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.793 -5.910 0.668 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.829 -7.202 -1.206 1.00 0.00 C ATOM 0 H LEU A 43 13.078 -3.466 0.153 1.00 0.00 H new ATOM 0 HA LEU A 43 10.182 -3.399 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.285 -4.569 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.808 -5.337 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 43 10.720 -6.822 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.273 -6.815 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.007 -5.294 1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.164 -5.351 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.294 -8.089 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.225 -6.675 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.776 -7.499 -1.657 1.00 0.00 H new ATOM 638 N SER A 44 10.761 -4.286 2.990 1.00 0.00 N ATOM 639 CA SER A 44 11.018 -4.856 4.307 1.00 0.00 C ATOM 640 C SER A 44 9.793 -5.606 4.822 1.00 0.00 C ATOM 641 O SER A 44 8.665 -5.129 4.705 1.00 0.00 O ATOM 642 CB SER A 44 11.408 -3.755 5.295 1.00 0.00 C ATOM 643 OG SER A 44 12.806 -3.525 5.276 1.00 0.00 O ATOM 0 H SER A 44 10.008 -3.598 2.967 1.00 0.00 H new ATOM 0 HA SER A 44 11.844 -5.562 4.216 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.881 -2.834 5.045 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.096 -4.037 6.301 1.00 0.00 H new ATOM 0 HG SER A 44 13.030 -2.816 5.915 1.00 0.00 H new ATOM 649 N MET A 45 10.025 -6.784 5.392 1.00 0.00 N ATOM 650 CA MET A 45 8.941 -7.601 5.926 1.00 0.00 C ATOM 651 C MET A 45 9.182 -7.930 7.396 1.00 0.00 C ATOM 652 O MET A 45 10.274 -8.352 7.776 1.00 0.00 O ATOM 653 CB MET A 45 8.802 -8.893 5.118 1.00 0.00 C ATOM 654 CG MET A 45 7.849 -8.774 3.940 1.00 0.00 C ATOM 655 SD MET A 45 6.127 -9.026 4.413 1.00 0.00 S ATOM 656 CE MET A 45 5.656 -10.339 3.289 1.00 0.00 C ATOM 0 H MET A 45 10.953 -7.194 5.496 1.00 0.00 H new ATOM 0 HA MET A 45 8.016 -7.030 5.847 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.785 -9.190 4.751 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.454 -9.688 5.777 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.957 -7.788 3.488 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.124 -9.505 3.180 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.598 -10.247 3.045 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.247 -10.266 2.376 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.837 -11.305 3.761 1.00 0.00 H new ATOM 666 N ASP A 46 8.156 -7.733 8.216 1.00 0.00 N ATOM 667 CA ASP A 46 8.256 -8.009 9.645 1.00 0.00 C ATOM 668 C ASP A 46 7.157 -8.969 10.091 1.00 0.00 C ATOM 669 O ASP A 46 6.030 -8.568 10.383 1.00 0.00 O ATOM 670 CB ASP A 46 8.170 -6.708 10.445 1.00 0.00 C ATOM 671 CG ASP A 46 9.414 -5.854 10.296 1.00 0.00 C ATOM 672 OD1 ASP A 46 9.693 -5.404 9.164 1.00 0.00 O ATOM 673 OD2 ASP A 46 10.107 -5.634 11.310 1.00 0.00 O ATOM 0 H ASP A 46 7.246 -7.383 7.916 1.00 0.00 H new ATOM 0 HA ASP A 46 9.222 -8.478 9.833 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.301 -6.139 10.116 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.017 -6.942 11.499 1.00 0.00 H new ATOM 678 N PRO A 47 7.490 -10.267 10.144 1.00 0.00 N ATOM 679 CA PRO A 47 6.545 -11.310 10.553 1.00 0.00 C ATOM 680 C PRO A 47 5.803 -10.950 11.836 1.00 0.00 C ATOM 681 O PRO A 47 4.593 -11.143 11.956 1.00 0.00 O ATOM 682 CB PRO A 47 7.440 -12.531 10.778 1.00 0.00 C ATOM 683 CG PRO A 47 8.624 -12.299 9.904 1.00 0.00 C ATOM 684 CD PRO A 47 8.815 -10.816 9.810 1.00 0.00 C ATOM 0 HA PRO A 47 5.765 -11.467 9.808 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.732 -12.620 11.824 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.925 -13.454 10.511 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.511 -12.776 10.321 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.465 -12.731 8.916 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.579 -10.467 10.505 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.131 -10.516 8.811 1.00 0.00 H new ATOM 692 N PRO A 48 6.543 -10.415 12.818 1.00 0.00 N ATOM 693 CA PRO A 48 5.976 -10.016 14.109 1.00 0.00 C ATOM 694 C PRO A 48 4.708 -9.183 13.953 1.00 0.00 C ATOM 695 O PRO A 48 3.626 -9.599 14.368 1.00 0.00 O ATOM 696 CB PRO A 48 7.090 -9.180 14.743 1.00 0.00 C ATOM 697 CG PRO A 48 8.345 -9.686 14.120 1.00 0.00 C ATOM 698 CD PRO A 48 7.991 -10.157 12.743 1.00 0.00 C ATOM 0 HA PRO A 48 5.678 -10.878 14.707 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.950 -8.118 14.544 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.109 -9.302 15.826 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.098 -8.900 14.077 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.767 -10.500 14.709 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.224 -9.403 11.991 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.544 -11.057 12.474 1.00 0.00 H new ATOM 706 N ARG A 49 4.849 -8.007 13.351 1.00 0.00 N ATOM 707 CA ARG A 49 3.714 -7.115 13.141 1.00 0.00 C ATOM 708 C ARG A 49 2.919 -7.529 11.906 1.00 0.00 C ATOM 709 O ARG A 49 1.991 -6.836 11.492 1.00 0.00 O ATOM 710 CB ARG A 49 4.195 -5.671 12.990 1.00 0.00 C ATOM 711 CG ARG A 49 4.907 -5.134 14.221 1.00 0.00 C ATOM 712 CD ARG A 49 3.919 -4.676 15.282 1.00 0.00 C ATOM 713 NE ARG A 49 4.529 -4.608 16.606 1.00 0.00 N ATOM 714 CZ ARG A 49 3.948 -4.036 17.655 1.00 0.00 C ATOM 715 NH1 ARG A 49 2.748 -3.487 17.534 1.00 0.00 N ATOM 716 NH2 ARG A 49 4.567 -4.014 18.828 1.00 0.00 N ATOM 0 H ARG A 49 5.737 -7.649 13.000 1.00 0.00 H new ATOM 0 HA ARG A 49 3.062 -7.185 14.012 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.868 -5.609 12.135 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.339 -5.033 12.769 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.554 -5.908 14.635 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.549 -4.300 13.936 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.527 -3.695 15.013 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.072 -5.361 15.308 1.00 0.00 H new ATOM 0 HE ARG A 49 5.452 -5.022 16.733 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.268 -3.503 16.634 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.304 -3.048 18.341 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.490 -4.437 18.925 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.120 -3.574 19.632 1.00 0.00 H new ATOM 730 N ASN A 50 3.291 -8.664 11.322 1.00 0.00 N ATOM 731 CA ASN A 50 2.614 -9.170 10.134 1.00 0.00 C ATOM 732 C ASN A 50 2.364 -8.048 9.131 1.00 0.00 C ATOM 733 O ASN A 50 1.255 -7.897 8.616 1.00 0.00 O ATOM 734 CB ASN A 50 1.288 -9.829 10.519 1.00 0.00 C ATOM 735 CG ASN A 50 1.387 -10.612 11.814 1.00 0.00 C ATOM 736 OD1 ASN A 50 1.510 -11.837 11.805 1.00 0.00 O ATOM 737 ND2 ASN A 50 1.332 -9.906 12.938 1.00 0.00 N ATOM 0 H ASN A 50 4.057 -9.250 11.652 1.00 0.00 H new ATOM 0 HA ASN A 50 3.260 -9.914 9.667 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.520 -9.062 10.619 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.970 -10.496 9.717 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.392 -10.378 13.840 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.230 -8.892 12.899 1.00 0.00 H new ATOM 744 N CYS A 51 3.401 -7.264 8.858 1.00 0.00 N ATOM 745 CA CYS A 51 3.294 -6.155 7.917 1.00 0.00 C ATOM 746 C CYS A 51 4.600 -5.963 7.152 1.00 0.00 C ATOM 747 O CYS A 51 5.601 -6.617 7.440 1.00 0.00 O ATOM 748 CB CYS A 51 2.927 -4.866 8.654 1.00 0.00 C ATOM 749 SG CYS A 51 4.077 -4.418 9.975 1.00 0.00 S ATOM 0 H CYS A 51 4.325 -7.376 9.275 1.00 0.00 H new ATOM 0 HA CYS A 51 2.506 -6.393 7.202 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.881 -4.049 7.934 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.928 -4.974 9.077 1.00 0.00 H new ATOM 0 HG CYS A 51 5.230 -4.978 9.755 1.00 0.00 H new ATOM 755 N ALA A 52 4.580 -5.062 6.175 1.00 0.00 N ATOM 756 CA ALA A 52 5.763 -4.784 5.369 1.00 0.00 C ATOM 757 C ALA A 52 5.724 -3.367 4.808 1.00 0.00 C ATOM 758 O ALA A 52 4.693 -2.695 4.862 1.00 0.00 O ATOM 759 CB ALA A 52 5.882 -5.798 4.240 1.00 0.00 C ATOM 0 H ALA A 52 3.759 -4.513 5.923 1.00 0.00 H new ATOM 0 HA ALA A 52 6.639 -4.868 6.012 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.769 -5.579 3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.964 -6.801 4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.998 -5.741 3.605 1.00 0.00 H new ATOM 765 N PHE A 53 6.853 -2.917 4.270 1.00 0.00 N ATOM 766 CA PHE A 53 6.948 -1.578 3.701 1.00 0.00 C ATOM 767 C PHE A 53 7.661 -1.610 2.352 1.00 0.00 C ATOM 768 O PHE A 53 8.887 -1.701 2.287 1.00 0.00 O ATOM 769 CB PHE A 53 7.689 -0.645 4.660 1.00 0.00 C ATOM 770 CG PHE A 53 7.314 -0.845 6.100 1.00 0.00 C ATOM 771 CD1 PHE A 53 6.224 -0.186 6.644 1.00 0.00 C ATOM 772 CD2 PHE A 53 8.053 -1.692 6.911 1.00 0.00 C ATOM 773 CE1 PHE A 53 5.876 -0.368 7.970 1.00 0.00 C ATOM 774 CE2 PHE A 53 7.710 -1.878 8.237 1.00 0.00 C ATOM 775 CZ PHE A 53 6.621 -1.215 8.767 1.00 0.00 C ATOM 0 H PHE A 53 7.715 -3.460 4.216 1.00 0.00 H new ATOM 0 HA PHE A 53 5.936 -1.202 3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.762 -0.799 4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.484 0.388 4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.639 0.478 6.025 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.906 -2.213 6.502 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.023 0.151 8.382 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.293 -2.542 8.858 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.352 -1.358 9.803 1.00 0.00 H new ATOM 785 N VAL A 54 6.883 -1.536 1.276 1.00 0.00 N ATOM 786 CA VAL A 54 7.439 -1.556 -0.072 1.00 0.00 C ATOM 787 C VAL A 54 7.613 -0.142 -0.615 1.00 0.00 C ATOM 788 O VAL A 54 6.691 0.673 -0.563 1.00 0.00 O ATOM 789 CB VAL A 54 6.545 -2.358 -1.035 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.133 -2.355 -2.438 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.359 -3.781 -0.529 1.00 0.00 C ATOM 0 H VAL A 54 5.866 -1.462 1.312 1.00 0.00 H new ATOM 0 HA VAL A 54 8.414 -2.039 -0.006 1.00 0.00 H new ATOM 0 HB VAL A 54 5.566 -1.880 -1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.487 -2.927 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.209 -1.329 -2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.125 -2.807 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.724 -4.334 -1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.330 -4.271 -0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.889 -3.759 0.454 1.00 0.00 H new ATOM 801 N THR A 55 8.801 0.143 -1.138 1.00 0.00 N ATOM 802 CA THR A 55 9.097 1.458 -1.692 1.00 0.00 C ATOM 803 C THR A 55 9.235 1.398 -3.209 1.00 0.00 C ATOM 804 O THR A 55 9.818 0.460 -3.752 1.00 0.00 O ATOM 805 CB THR A 55 10.391 2.042 -1.092 1.00 0.00 C ATOM 806 OG1 THR A 55 10.279 2.118 0.333 1.00 0.00 O ATOM 807 CG2 THR A 55 10.674 3.425 -1.659 1.00 0.00 C ATOM 0 H THR A 55 9.574 -0.520 -1.190 1.00 0.00 H new ATOM 0 HA THR A 55 8.260 2.106 -1.432 1.00 0.00 H new ATOM 0 HB THR A 55 11.218 1.383 -1.356 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.032 2.631 0.693 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.592 3.817 -1.221 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.788 3.358 -2.741 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.845 4.092 -1.422 1.00 0.00 H new ATOM 815 N TYR A 56 8.696 2.405 -3.887 1.00 0.00 N ATOM 816 CA TYR A 56 8.758 2.466 -5.342 1.00 0.00 C ATOM 817 C TYR A 56 9.712 3.564 -5.802 1.00 0.00 C ATOM 818 O TYR A 56 9.773 4.638 -5.204 1.00 0.00 O ATOM 819 CB TYR A 56 7.364 2.710 -5.923 1.00 0.00 C ATOM 820 CG TYR A 56 6.492 1.476 -5.942 1.00 0.00 C ATOM 821 CD1 TYR A 56 6.962 0.277 -6.464 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.197 1.508 -5.440 1.00 0.00 C ATOM 823 CE1 TYR A 56 6.168 -0.854 -6.484 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.396 0.383 -5.455 1.00 0.00 C ATOM 825 CZ TYR A 56 4.886 -0.796 -5.978 1.00 0.00 C ATOM 826 OH TYR A 56 4.091 -1.919 -5.996 1.00 0.00 O ATOM 0 H TYR A 56 8.211 3.190 -3.452 1.00 0.00 H new ATOM 0 HA TYR A 56 9.133 1.509 -5.704 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.868 3.486 -5.341 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.465 3.089 -6.940 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.965 0.228 -6.861 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.810 2.429 -5.031 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.549 -1.778 -6.893 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.392 0.426 -5.060 1.00 0.00 H new ATOM 0 HH TYR A 56 4.416 -2.539 -6.682 1.00 0.00 H new ATOM 836 N GLU A 57 10.455 3.285 -6.869 1.00 0.00 N ATOM 837 CA GLU A 57 11.407 4.249 -7.409 1.00 0.00 C ATOM 838 C GLU A 57 10.706 5.549 -7.795 1.00 0.00 C ATOM 839 O GLU A 57 11.285 6.631 -7.704 1.00 0.00 O ATOM 840 CB GLU A 57 12.125 3.663 -8.627 1.00 0.00 C ATOM 841 CG GLU A 57 13.344 4.461 -9.056 1.00 0.00 C ATOM 842 CD GLU A 57 14.610 4.017 -8.350 1.00 0.00 C ATOM 843 OE1 GLU A 57 15.090 2.901 -8.639 1.00 0.00 O ATOM 844 OE2 GLU A 57 15.121 4.785 -7.508 1.00 0.00 O ATOM 0 H GLU A 57 10.416 2.401 -7.376 1.00 0.00 H new ATOM 0 HA GLU A 57 12.141 4.469 -6.634 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.431 2.641 -8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.424 3.609 -9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.479 4.360 -10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.171 5.518 -8.854 1.00 0.00 H new ATOM 851 N LYS A 58 9.455 5.433 -8.227 1.00 0.00 N ATOM 852 CA LYS A 58 8.672 6.596 -8.626 1.00 0.00 C ATOM 853 C LYS A 58 7.355 6.656 -7.859 1.00 0.00 C ATOM 854 O LYS A 58 6.548 5.729 -7.920 1.00 0.00 O ATOM 855 CB LYS A 58 8.396 6.559 -10.131 1.00 0.00 C ATOM 856 CG LYS A 58 9.643 6.729 -10.982 1.00 0.00 C ATOM 857 CD LYS A 58 9.299 7.200 -12.386 1.00 0.00 C ATOM 858 CE LYS A 58 8.906 8.669 -12.400 1.00 0.00 C ATOM 859 NZ LYS A 58 9.082 9.278 -13.747 1.00 0.00 N ATOM 0 H LYS A 58 8.961 4.544 -8.310 1.00 0.00 H new ATOM 0 HA LYS A 58 9.250 7.489 -8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.922 5.610 -10.382 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.685 7.347 -10.381 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.312 7.448 -10.509 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.180 5.782 -11.036 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.155 7.045 -13.043 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.480 6.599 -12.782 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.866 8.770 -12.089 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.510 9.213 -11.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.803 10.279 -13.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.079 9.205 -14.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.487 8.775 -14.436 1.00 0.00 H new ATOM 873 N MET A 59 7.145 7.753 -7.138 1.00 0.00 N ATOM 874 CA MET A 59 5.924 7.934 -6.361 1.00 0.00 C ATOM 875 C MET A 59 4.699 7.517 -7.169 1.00 0.00 C ATOM 876 O MET A 59 3.748 6.957 -6.624 1.00 0.00 O ATOM 877 CB MET A 59 5.786 9.393 -5.920 1.00 0.00 C ATOM 878 CG MET A 59 5.740 10.376 -7.078 1.00 0.00 C ATOM 879 SD MET A 59 7.381 10.869 -7.637 1.00 0.00 S ATOM 880 CE MET A 59 7.324 10.354 -9.352 1.00 0.00 C ATOM 0 H MET A 59 7.804 8.529 -7.076 1.00 0.00 H new ATOM 0 HA MET A 59 5.988 7.299 -5.477 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.878 9.500 -5.327 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.623 9.648 -5.270 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.197 9.927 -7.910 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.182 11.262 -6.775 1.00 0.00 H new ATOM 0 HE1 MET A 59 8.164 10.791 -9.891 1.00 0.00 H new ATOM 0 HE2 MET A 59 7.383 9.267 -9.408 1.00 0.00 H new ATOM 0 HE3 MET A 59 6.390 10.690 -9.802 1.00 0.00 H new ATOM 890 N GLU A 60 4.730 7.794 -8.468 1.00 0.00 N ATOM 891 CA GLU A 60 3.620 7.447 -9.349 1.00 0.00 C ATOM 892 C GLU A 60 3.038 6.086 -8.981 1.00 0.00 C ATOM 893 O GLU A 60 1.839 5.851 -9.128 1.00 0.00 O ATOM 894 CB GLU A 60 4.081 7.440 -10.808 1.00 0.00 C ATOM 895 CG GLU A 60 4.988 8.605 -11.166 1.00 0.00 C ATOM 896 CD GLU A 60 4.965 8.929 -12.647 1.00 0.00 C ATOM 897 OE1 GLU A 60 4.053 9.665 -13.078 1.00 0.00 O ATOM 898 OE2 GLU A 60 5.859 8.448 -13.374 1.00 0.00 O ATOM 0 H GLU A 60 5.510 8.257 -8.934 1.00 0.00 H new ATOM 0 HA GLU A 60 2.842 8.200 -9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.606 6.506 -11.010 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.205 7.460 -11.457 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.683 9.485 -10.601 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.009 8.371 -10.865 1.00 0.00 H new ATOM 905 N SER A 61 3.897 5.191 -8.503 1.00 0.00 N ATOM 906 CA SER A 61 3.470 3.851 -8.118 1.00 0.00 C ATOM 907 C SER A 61 2.791 3.869 -6.752 1.00 0.00 C ATOM 908 O SER A 61 1.721 3.288 -6.571 1.00 0.00 O ATOM 909 CB SER A 61 4.668 2.899 -8.092 1.00 0.00 C ATOM 910 OG SER A 61 5.106 2.595 -9.405 1.00 0.00 O ATOM 0 H SER A 61 4.893 5.370 -8.373 1.00 0.00 H new ATOM 0 HA SER A 61 2.751 3.499 -8.858 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.484 3.352 -7.529 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.395 1.980 -7.574 1.00 0.00 H new ATOM 0 HG SER A 61 4.683 1.764 -9.707 1.00 0.00 H new ATOM 916 N ALA A 62 3.421 4.540 -5.794 1.00 0.00 N ATOM 917 CA ALA A 62 2.878 4.636 -4.445 1.00 0.00 C ATOM 918 C ALA A 62 1.356 4.731 -4.471 1.00 0.00 C ATOM 919 O ALA A 62 0.663 3.913 -3.866 1.00 0.00 O ATOM 920 CB ALA A 62 3.471 5.835 -3.721 1.00 0.00 C ATOM 0 H ALA A 62 4.308 5.025 -5.927 1.00 0.00 H new ATOM 0 HA ALA A 62 3.150 3.729 -3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.056 5.894 -2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.554 5.725 -3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.229 6.746 -4.267 1.00 0.00 H new ATOM 926 N ASP A 63 0.843 5.734 -5.175 1.00 0.00 N ATOM 927 CA ASP A 63 -0.598 5.935 -5.280 1.00 0.00 C ATOM 928 C ASP A 63 -1.254 4.781 -6.030 1.00 0.00 C ATOM 929 O ASP A 63 -2.287 4.261 -5.607 1.00 0.00 O ATOM 930 CB ASP A 63 -0.899 7.257 -5.988 1.00 0.00 C ATOM 931 CG ASP A 63 -2.350 7.370 -6.410 1.00 0.00 C ATOM 932 OD1 ASP A 63 -2.690 6.879 -7.507 1.00 0.00 O ATOM 933 OD2 ASP A 63 -3.147 7.951 -5.643 1.00 0.00 O ATOM 0 H ASP A 63 1.403 6.420 -5.681 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.010 5.970 -4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.651 8.086 -5.325 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.260 7.349 -6.866 1.00 0.00 H new ATOM 938 N GLN A 64 -0.649 4.386 -7.146 1.00 0.00 N ATOM 939 CA GLN A 64 -1.177 3.294 -7.955 1.00 0.00 C ATOM 940 C GLN A 64 -1.380 2.040 -7.112 1.00 0.00 C ATOM 941 O GLN A 64 -2.509 1.599 -6.899 1.00 0.00 O ATOM 942 CB GLN A 64 -0.232 2.992 -9.120 1.00 0.00 C ATOM 943 CG GLN A 64 -0.415 3.922 -10.309 1.00 0.00 C ATOM 944 CD GLN A 64 -0.057 3.262 -11.626 1.00 0.00 C ATOM 945 OE1 GLN A 64 1.119 3.112 -11.958 1.00 0.00 O ATOM 946 NE2 GLN A 64 -1.072 2.864 -12.385 1.00 0.00 N ATOM 0 H GLN A 64 0.206 4.806 -7.510 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.144 3.604 -8.351 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.798 3.062 -8.769 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.388 1.964 -9.446 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.451 4.259 -10.346 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.204 4.808 -10.171 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.031 3.008 -12.070 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.892 2.414 -13.282 1.00 0.00 H new ATOM 955 N ALA A 65 -0.279 1.469 -6.634 1.00 0.00 N ATOM 956 CA ALA A 65 -0.337 0.267 -5.812 1.00 0.00 C ATOM 957 C ALA A 65 -1.390 0.400 -4.717 1.00 0.00 C ATOM 958 O ALA A 65 -2.322 -0.400 -4.638 1.00 0.00 O ATOM 959 CB ALA A 65 1.027 -0.022 -5.203 1.00 0.00 C ATOM 0 H ALA A 65 0.664 1.820 -6.802 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.621 -0.568 -6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.969 -0.922 -4.592 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.757 -0.170 -5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.334 0.819 -4.582 1.00 0.00 H new ATOM 965 N VAL A 66 -1.234 1.415 -3.873 1.00 0.00 N ATOM 966 CA VAL A 66 -2.172 1.653 -2.783 1.00 0.00 C ATOM 967 C VAL A 66 -3.604 1.745 -3.299 1.00 0.00 C ATOM 968 O VAL A 66 -4.559 1.572 -2.543 1.00 0.00 O ATOM 969 CB VAL A 66 -1.830 2.947 -2.020 1.00 0.00 C ATOM 970 CG1 VAL A 66 -3.031 3.431 -1.223 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.630 2.727 -1.111 1.00 0.00 C ATOM 0 H VAL A 66 -0.467 2.085 -3.923 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.087 0.805 -2.103 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.572 3.718 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.770 4.346 -0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.861 3.630 -1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.324 2.665 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.402 3.651 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.858 1.941 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.231 2.431 -1.710 1.00 0.00 H new ATOM 981 N ALA A 67 -3.744 2.017 -4.592 1.00 0.00 N ATOM 982 CA ALA A 67 -5.059 2.129 -5.211 1.00 0.00 C ATOM 983 C ALA A 67 -5.580 0.762 -5.644 1.00 0.00 C ATOM 984 O ALA A 67 -6.771 0.477 -5.525 1.00 0.00 O ATOM 985 CB ALA A 67 -5.004 3.075 -6.401 1.00 0.00 C ATOM 0 H ALA A 67 -2.963 2.164 -5.231 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.748 2.534 -4.470 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.993 3.149 -6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.683 4.062 -6.067 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.296 2.693 -7.137 1.00 0.00 H new ATOM 991 N GLU A 68 -4.680 -0.077 -6.146 1.00 0.00 N ATOM 992 CA GLU A 68 -5.051 -1.413 -6.597 1.00 0.00 C ATOM 993 C GLU A 68 -4.754 -2.454 -5.521 1.00 0.00 C ATOM 994 O GLU A 68 -5.648 -3.169 -5.069 1.00 0.00 O ATOM 995 CB GLU A 68 -4.304 -1.767 -7.885 1.00 0.00 C ATOM 996 CG GLU A 68 -4.570 -0.802 -9.028 1.00 0.00 C ATOM 997 CD GLU A 68 -5.859 -1.113 -9.765 1.00 0.00 C ATOM 998 OE1 GLU A 68 -5.944 -2.195 -10.381 1.00 0.00 O ATOM 999 OE2 GLU A 68 -6.782 -0.273 -9.725 1.00 0.00 O ATOM 0 H GLU A 68 -3.690 0.144 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.123 -1.416 -6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.234 -1.788 -7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.589 -2.772 -8.196 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.615 0.215 -8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.737 -0.837 -9.730 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.491 -2.533 -5.117 1.00 0.00 N ATOM 1007 CA LEU A 69 -3.073 -3.486 -4.094 1.00 0.00 C ATOM 1008 C LEU A 69 -3.937 -3.356 -2.844 1.00 0.00 C ATOM 1009 O LEU A 69 -4.020 -4.281 -2.037 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.602 -3.268 -3.737 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.581 -3.805 -4.740 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.791 -3.925 -4.094 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -1.031 -5.149 -5.292 1.00 0.00 C ATOM 0 H LEU A 69 -2.739 -1.949 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.197 -4.492 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.433 -2.198 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.411 -3.733 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.510 -3.100 -5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.504 -4.309 -4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.118 -2.944 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.736 -4.608 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.292 -5.516 -6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.132 -5.863 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.992 -5.033 -5.794 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.579 -2.202 -2.692 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.439 -1.952 -1.540 1.00 0.00 C ATOM 1027 C ASN A 70 -6.602 -2.939 -1.505 1.00 0.00 C ATOM 1028 O ASN A 70 -7.427 -2.975 -2.417 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.972 -0.519 -1.578 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.338 -0.393 -0.930 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -8.355 -0.295 -1.616 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -7.365 -0.395 0.398 1.00 0.00 N ATOM 0 H ASN A 70 -4.520 -1.426 -3.351 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.844 -2.088 -0.637 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.269 0.141 -1.069 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.032 -0.184 -2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.255 -0.313 0.890 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.496 -0.479 0.926 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.661 -3.739 -0.444 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.726 -4.714 -0.309 1.00 0.00 C ATOM 1041 C GLY A 71 -7.736 -5.723 -1.441 1.00 0.00 C ATOM 1042 O GLY A 71 -8.759 -6.352 -1.715 1.00 0.00 O ATOM 0 H GLY A 71 -5.990 -3.729 0.324 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.616 -5.239 0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.685 -4.198 -0.278 1.00 0.00 H new ATOM 1046 N THR A 72 -6.593 -5.878 -2.102 1.00 0.00 N ATOM 1047 CA THR A 72 -6.474 -6.815 -3.212 1.00 0.00 C ATOM 1048 C THR A 72 -6.172 -8.224 -2.713 1.00 0.00 C ATOM 1049 O THR A 72 -5.661 -8.403 -1.608 1.00 0.00 O ATOM 1050 CB THR A 72 -5.370 -6.384 -4.196 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.622 -6.941 -5.491 1.00 0.00 O ATOM 1052 CG2 THR A 72 -4.002 -6.830 -3.704 1.00 0.00 C ATOM 0 H THR A 72 -5.737 -5.367 -1.888 1.00 0.00 H new ATOM 0 HA THR A 72 -7.433 -6.814 -3.730 1.00 0.00 H new ATOM 0 HB THR A 72 -5.378 -5.296 -4.262 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.916 -6.661 -6.111 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.239 -6.514 -4.415 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.800 -6.380 -2.732 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.985 -7.916 -3.612 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.491 -9.219 -3.535 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.252 -10.612 -3.175 1.00 0.00 C ATOM 1062 C GLN A 73 -5.308 -11.277 -4.171 1.00 0.00 C ATOM 1063 O GLN A 73 -5.730 -11.728 -5.236 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.575 -11.379 -3.117 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.438 -12.785 -2.557 1.00 0.00 C ATOM 1066 CD GLN A 73 -8.747 -13.549 -2.570 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -9.783 -13.021 -2.976 1.00 0.00 O ATOM 1068 NE2 GLN A 73 -8.709 -14.799 -2.125 1.00 0.00 N ATOM 0 H GLN A 73 -6.915 -9.087 -4.453 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.785 -10.632 -2.191 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.283 -10.820 -2.505 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.997 -11.436 -4.120 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.696 -13.333 -3.138 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.064 -12.730 -1.535 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.829 -15.197 -1.798 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.560 -15.361 -2.110 1.00 0.00 H new ATOM 1077 N VAL A 74 -4.028 -11.335 -3.817 1.00 0.00 N ATOM 1078 CA VAL A 74 -3.024 -11.947 -4.680 1.00 0.00 C ATOM 1079 C VAL A 74 -2.481 -13.232 -4.066 1.00 0.00 C ATOM 1080 O VAL A 74 -2.321 -13.331 -2.849 1.00 0.00 O ATOM 1081 CB VAL A 74 -1.852 -10.983 -4.946 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.369 -9.598 -5.301 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -0.927 -10.924 -3.740 1.00 0.00 C ATOM 0 H VAL A 74 -3.662 -10.966 -2.939 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.516 -12.179 -5.624 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.281 -11.359 -5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.527 -8.931 -5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.986 -9.659 -6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.965 -9.210 -4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.105 -10.238 -3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.484 -10.573 -2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.529 -11.918 -3.538 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.200 -14.215 -4.916 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.675 -15.495 -4.455 1.00 0.00 C ATOM 1095 C GLU A 75 -2.570 -16.092 -3.373 1.00 0.00 C ATOM 1096 O GLU A 75 -2.110 -16.859 -2.527 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.252 -15.326 -3.921 1.00 0.00 C ATOM 1098 CG GLU A 75 0.723 -14.776 -4.948 1.00 0.00 C ATOM 1099 CD GLU A 75 0.995 -15.753 -6.075 1.00 0.00 C ATOM 1100 OE1 GLU A 75 1.717 -16.744 -5.839 1.00 0.00 O ATOM 1101 OE2 GLU A 75 0.487 -15.526 -7.193 1.00 0.00 O ATOM 0 H GLU A 75 -2.327 -14.150 -5.926 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.657 -16.178 -5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.273 -14.659 -3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.111 -16.291 -3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.324 -13.850 -5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.662 -14.526 -4.454 1.00 0.00 H new ATOM 1108 N SER A 76 -3.849 -15.733 -3.406 1.00 0.00 N ATOM 1109 CA SER A 76 -4.808 -16.229 -2.425 1.00 0.00 C ATOM 1110 C SER A 76 -4.584 -15.573 -1.066 1.00 0.00 C ATOM 1111 O SER A 76 -4.842 -16.174 -0.023 1.00 0.00 O ATOM 1112 CB SER A 76 -4.696 -17.750 -2.295 1.00 0.00 C ATOM 1113 OG SER A 76 -5.872 -18.301 -1.728 1.00 0.00 O ATOM 0 H SER A 76 -4.246 -15.101 -4.101 1.00 0.00 H new ATOM 0 HA SER A 76 -5.810 -15.974 -2.771 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.521 -18.190 -3.277 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.836 -18.003 -1.674 1.00 0.00 H new ATOM 0 HG SER A 76 -6.075 -17.843 -0.886 1.00 0.00 H new ATOM 1119 N VAL A 77 -4.101 -14.335 -1.087 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.843 -13.595 0.143 1.00 0.00 C ATOM 1121 C VAL A 77 -4.292 -12.143 0.015 1.00 0.00 C ATOM 1122 O VAL A 77 -3.913 -11.447 -0.926 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.348 -13.627 0.513 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -2.062 -12.673 1.663 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -1.917 -15.043 0.865 1.00 0.00 C ATOM 0 H VAL A 77 -3.881 -13.823 -1.941 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.416 -14.082 0.932 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.770 -13.300 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.001 -12.709 1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.332 -11.658 1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.648 -12.967 2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.858 -15.047 1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.500 -15.400 1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.084 -15.697 0.009 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.101 -11.694 0.969 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.603 -10.325 0.963 1.00 0.00 C ATOM 1137 C GLN A 78 -4.564 -9.363 1.528 1.00 0.00 C ATOM 1138 O GLN A 78 -4.332 -9.322 2.737 1.00 0.00 O ATOM 1139 CB GLN A 78 -6.897 -10.230 1.773 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.150 -10.474 0.947 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.275 -11.083 1.760 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -9.110 -12.136 2.378 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -10.428 -10.424 1.765 1.00 0.00 N ATOM 0 H GLN A 78 -5.423 -12.258 1.756 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.808 -10.044 -0.070 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.861 -10.955 2.586 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.959 -9.242 2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.487 -9.531 0.517 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.909 -11.135 0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.521 -9.555 1.239 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.220 -10.787 2.295 1.00 0.00 H new ATOM 1152 N LEU A 79 -3.940 -8.589 0.647 1.00 0.00 N ATOM 1153 CA LEU A 79 -2.924 -7.626 1.057 1.00 0.00 C ATOM 1154 C LEU A 79 -3.530 -6.237 1.234 1.00 0.00 C ATOM 1155 O LEU A 79 -4.346 -5.797 0.424 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.795 -7.575 0.027 1.00 0.00 C ATOM 1157 CG LEU A 79 -0.904 -8.815 -0.054 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.291 -8.555 -0.958 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -0.443 -9.232 1.335 1.00 0.00 C ATOM 0 H LEU A 79 -4.120 -8.610 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.518 -7.950 2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.234 -7.403 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.165 -6.714 0.250 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.487 -9.631 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.914 -9.448 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.058 -8.305 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.875 -7.725 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.190 -10.116 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.123 -8.419 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.311 -9.460 1.953 1.00 0.00 H new ATOM 1171 N LYS A 80 -3.124 -5.551 2.296 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.624 -4.210 2.578 1.00 0.00 C ATOM 1173 C LYS A 80 -2.498 -3.183 2.502 1.00 0.00 C ATOM 1174 O LYS A 80 -1.625 -3.140 3.369 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.275 -4.167 3.962 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.575 -4.948 4.047 1.00 0.00 C ATOM 1177 CD LYS A 80 -5.321 -6.438 4.209 1.00 0.00 C ATOM 1178 CE LYS A 80 -6.494 -7.133 4.883 1.00 0.00 C ATOM 1179 NZ LYS A 80 -7.721 -7.095 4.040 1.00 0.00 N ATOM 0 H LYS A 80 -2.450 -5.901 2.976 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.371 -3.961 1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.574 -4.563 4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.466 -3.129 4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.164 -4.585 4.889 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.164 -4.774 3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.144 -6.886 3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.417 -6.592 4.799 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.230 -8.169 5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.697 -6.655 5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.399 -7.805 4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.151 -6.150 4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.470 -7.303 3.052 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.526 -2.357 1.462 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.510 -1.328 1.274 1.00 0.00 C ATOM 1195 C VAL A 81 -2.093 0.065 1.485 1.00 0.00 C ATOM 1196 O VAL A 81 -3.242 0.327 1.135 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.887 -1.405 -0.132 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.392 -0.583 -0.195 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.621 -2.851 -0.519 1.00 0.00 C ATOM 0 H VAL A 81 -3.242 -2.380 0.736 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.734 -1.510 2.017 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.595 -0.987 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.818 -0.649 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.167 0.458 0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.108 -0.968 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.181 -2.886 -1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.067 -3.299 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.559 -3.407 -0.517 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.290 0.954 2.061 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.727 2.322 2.319 1.00 0.00 C ATOM 1211 C ASN A 82 -0.550 3.290 2.250 1.00 0.00 C ATOM 1212 O ASN A 82 0.601 2.900 2.448 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.398 2.415 3.691 1.00 0.00 C ATOM 1214 CG ASN A 82 -2.574 3.849 4.153 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -1.637 4.470 4.655 1.00 0.00 O ATOM 1216 ND2 ASN A 82 -3.779 4.381 3.984 1.00 0.00 N ATOM 0 H ASN A 82 -0.335 0.752 2.358 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.448 2.598 1.550 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -3.372 1.927 3.650 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.800 1.871 4.422 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -3.958 5.342 4.275 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.526 3.828 3.563 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.847 4.554 1.968 1.00 0.00 N ATOM 1224 CA ILE A 83 0.186 5.579 1.874 1.00 0.00 C ATOM 1225 C ILE A 83 0.765 5.903 3.247 1.00 0.00 C ATOM 1226 O ILE A 83 0.210 6.711 3.991 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.359 6.872 1.241 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -1.145 6.551 -0.032 1.00 0.00 C ATOM 1229 CG2 ILE A 83 0.779 7.835 0.938 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -0.274 6.093 -1.181 1.00 0.00 C ATOM 0 H ILE A 83 -1.794 4.893 1.801 1.00 0.00 H new ATOM 0 HA ILE A 83 0.973 5.176 1.236 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.034 7.350 1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.878 5.775 0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.701 7.437 -0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.377 8.744 0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.300 8.085 1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.477 7.367 0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.898 5.883 -2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.442 6.876 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.262 5.189 -0.893 1.00 0.00 H new ATOM 1242 N ALA A 84 1.885 5.268 3.576 1.00 0.00 N ATOM 1243 CA ALA A 84 2.542 5.492 4.858 1.00 0.00 C ATOM 1244 C ALA A 84 2.700 6.982 5.141 1.00 0.00 C ATOM 1245 O ALA A 84 3.269 7.719 4.336 1.00 0.00 O ATOM 1246 CB ALA A 84 3.897 4.801 4.884 1.00 0.00 C ATOM 0 H ALA A 84 2.356 4.594 2.972 1.00 0.00 H new ATOM 0 HA ALA A 84 1.914 5.065 5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.377 4.977 5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.762 3.730 4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.525 5.201 4.088 1.00 0.00 H new