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 19 TYR OH : rot 26:sc= 0.436 USER MOD Set 1.2: A 51 CYS SG : rot -33:sc= 0.078! USER MOD Set 2.1: A 25 MET CE :methyl -179:sc= -2.28 (180deg=-2.09) USER MOD Set 2.2: A 45 MET CE :methyl -141:sc= -5.44 (180deg=-11.8!) USER MOD Set 3.1: A 16 ASN : amide:sc= -1.12 K(o=-1.8,f=-1.2) USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 55 THR OG1 : rot -170:sc= -0.705 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 X(o=0,f=-0.44) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 56 TYR OH : rot -18:sc= 0.225 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 158:sc=-0.000266 (180deg=-0.186) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 70 ASN : amide:sc= -1.15! C(o=-1.1!,f=-2.9!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0225 K(o=-0.022,f=-1.5!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 155:sc= -0.436 (180deg=-1.26) USER MOD Single : A 82 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 206 N ASN A 16 6.728 7.728 -1.440 1.00 0.00 N ATOM 207 CA ASN A 16 7.565 6.700 -2.046 1.00 0.00 C ATOM 208 C ASN A 16 7.356 5.353 -1.360 1.00 0.00 C ATOM 209 O ASN A 16 7.236 4.319 -2.018 1.00 0.00 O ATOM 210 CB ASN A 16 9.040 7.101 -1.967 1.00 0.00 C ATOM 211 CG ASN A 16 9.509 7.298 -0.539 1.00 0.00 C ATOM 212 OD1 ASN A 16 8.922 8.071 0.219 1.00 0.00 O ATOM 213 ND2 ASN A 16 10.574 6.599 -0.164 1.00 0.00 N ATOM 0 HA ASN A 16 7.277 6.603 -3.093 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.649 6.333 -2.444 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.194 8.023 -2.528 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.936 6.691 0.785 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.030 5.970 -0.825 1.00 0.00 H new ATOM 220 N THR A 17 7.312 5.373 -0.031 1.00 0.00 N ATOM 221 CA THR A 17 7.117 4.155 0.745 1.00 0.00 C ATOM 222 C THR A 17 5.637 3.813 0.870 1.00 0.00 C ATOM 223 O THR A 17 4.783 4.701 0.884 1.00 0.00 O ATOM 224 CB THR A 17 7.723 4.285 2.155 1.00 0.00 C ATOM 225 OG1 THR A 17 8.965 4.994 2.091 1.00 0.00 O ATOM 226 CG2 THR A 17 7.947 2.915 2.777 1.00 0.00 C ATOM 0 H THR A 17 7.409 6.219 0.530 1.00 0.00 H new ATOM 0 HA THR A 17 7.628 3.354 0.210 1.00 0.00 H new ATOM 0 HB THR A 17 7.021 4.839 2.778 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.343 5.074 2.992 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.376 3.033 3.772 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.995 2.389 2.852 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.631 2.340 2.153 1.00 0.00 H new ATOM 234 N LEU A 18 5.338 2.522 0.962 1.00 0.00 N ATOM 235 CA LEU A 18 3.959 2.063 1.087 1.00 0.00 C ATOM 236 C LEU A 18 3.828 1.032 2.203 1.00 0.00 C ATOM 237 O LEU A 18 4.573 0.052 2.248 1.00 0.00 O ATOM 238 CB LEU A 18 3.479 1.463 -0.236 1.00 0.00 C ATOM 239 CG LEU A 18 3.921 2.194 -1.504 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.715 1.314 -2.727 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.165 3.506 -1.655 1.00 0.00 C ATOM 0 H LEU A 18 6.032 1.774 0.952 1.00 0.00 H new ATOM 0 HA LEU A 18 3.337 2.922 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.830 0.433 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.390 1.428 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 18 4.984 2.419 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.035 1.851 -3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.302 0.402 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.659 1.057 -2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.493 4.012 -2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.096 3.305 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.364 4.142 -0.793 1.00 0.00 H new ATOM 253 N TYR A 19 2.875 1.257 3.101 1.00 0.00 N ATOM 254 CA TYR A 19 2.646 0.348 4.217 1.00 0.00 C ATOM 255 C TYR A 19 1.783 -0.835 3.788 1.00 0.00 C ATOM 256 O TYR A 19 0.594 -0.682 3.508 1.00 0.00 O ATOM 257 CB TYR A 19 1.976 1.089 5.376 1.00 0.00 C ATOM 258 CG TYR A 19 2.008 0.326 6.681 1.00 0.00 C ATOM 259 CD1 TYR A 19 1.253 -0.828 6.854 1.00 0.00 C ATOM 260 CD2 TYR A 19 2.794 0.759 7.742 1.00 0.00 C ATOM 261 CE1 TYR A 19 1.279 -1.527 8.045 1.00 0.00 C ATOM 262 CE2 TYR A 19 2.828 0.065 8.936 1.00 0.00 C ATOM 263 CZ TYR A 19 2.068 -1.076 9.083 1.00 0.00 C ATOM 264 OH TYR A 19 2.098 -1.771 10.270 1.00 0.00 O ATOM 0 H TYR A 19 2.249 2.062 3.077 1.00 0.00 H new ATOM 0 HA TYR A 19 3.613 -0.032 4.548 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.469 2.051 5.515 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.939 1.298 5.112 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.635 -1.184 6.043 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.389 1.654 7.631 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.685 -2.421 8.163 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.446 0.414 9.750 1.00 0.00 H new ATOM 0 HH TYR A 19 1.876 -2.711 10.104 1.00 0.00 H new ATOM 274 N VAL A 20 2.392 -2.016 3.739 1.00 0.00 N ATOM 275 CA VAL A 20 1.681 -3.226 3.346 1.00 0.00 C ATOM 276 C VAL A 20 1.352 -4.089 4.560 1.00 0.00 C ATOM 277 O VAL A 20 2.108 -4.126 5.531 1.00 0.00 O ATOM 278 CB VAL A 20 2.503 -4.060 2.345 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.658 -5.185 1.767 1.00 0.00 C ATOM 280 CG2 VAL A 20 3.053 -3.172 1.239 1.00 0.00 C ATOM 0 H VAL A 20 3.376 -2.160 3.967 1.00 0.00 H new ATOM 0 HA VAL A 20 0.755 -2.908 2.868 1.00 0.00 H new ATOM 0 HB VAL A 20 3.345 -4.506 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.255 -5.763 1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.317 -5.835 2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.795 -4.764 1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.631 -3.777 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.227 -2.696 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.695 -2.406 1.673 1.00 0.00 H new ATOM 290 N TYR A 21 0.221 -4.781 4.497 1.00 0.00 N ATOM 291 CA TYR A 21 -0.210 -5.643 5.592 1.00 0.00 C ATOM 292 C TYR A 21 -0.758 -6.964 5.062 1.00 0.00 C ATOM 293 O TYR A 21 -1.468 -6.997 4.059 1.00 0.00 O ATOM 294 CB TYR A 21 -1.274 -4.938 6.436 1.00 0.00 C ATOM 295 CG TYR A 21 -1.981 -5.855 7.408 1.00 0.00 C ATOM 296 CD1 TYR A 21 -1.266 -6.751 8.194 1.00 0.00 C ATOM 297 CD2 TYR A 21 -3.364 -5.825 7.542 1.00 0.00 C ATOM 298 CE1 TYR A 21 -1.908 -7.591 9.083 1.00 0.00 C ATOM 299 CE2 TYR A 21 -4.014 -6.660 8.429 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.282 -7.542 9.197 1.00 0.00 C ATOM 301 OH TYR A 21 -3.925 -8.376 10.083 1.00 0.00 O ATOM 0 H TYR A 21 -0.415 -4.762 3.700 1.00 0.00 H new ATOM 0 HA TYR A 21 0.658 -5.855 6.217 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.806 -4.125 6.991 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.012 -4.487 5.773 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.190 -6.791 8.108 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.940 -5.137 6.942 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.337 -8.282 9.685 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.089 -6.623 8.521 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.891 -8.215 10.042 1.00 0.00 H new ATOM 311 N GLY A 22 -0.422 -8.054 5.747 1.00 0.00 N ATOM 312 CA GLY A 22 -0.888 -9.364 5.331 1.00 0.00 C ATOM 313 C GLY A 22 -0.857 -10.375 6.460 1.00 0.00 C ATOM 314 O GLY A 22 -0.446 -10.056 7.576 1.00 0.00 O ATOM 0 H GLY A 22 0.164 -8.053 6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.906 -9.280 4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.269 -9.723 4.509 1.00 0.00 H new ATOM 318 N GLU A 23 -1.294 -11.597 6.171 1.00 0.00 N ATOM 319 CA GLU A 23 -1.316 -12.657 7.172 1.00 0.00 C ATOM 320 C GLU A 23 -0.432 -13.825 6.747 1.00 0.00 C ATOM 321 O GLU A 23 0.534 -14.168 7.430 1.00 0.00 O ATOM 322 CB GLU A 23 -2.749 -13.143 7.400 1.00 0.00 C ATOM 323 CG GLU A 23 -3.788 -12.038 7.313 1.00 0.00 C ATOM 324 CD GLU A 23 -3.872 -11.424 5.929 1.00 0.00 C ATOM 325 OE1 GLU A 23 -3.957 -12.187 4.945 1.00 0.00 O ATOM 326 OE2 GLU A 23 -3.853 -10.179 5.832 1.00 0.00 O ATOM 0 H GLU A 23 -1.637 -11.877 5.252 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.925 -12.250 8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.985 -13.911 6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.812 -13.613 8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.763 -12.439 7.588 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.547 -11.260 8.038 1.00 0.00 H new ATOM 333 N ASP A 24 -0.770 -14.434 5.616 1.00 0.00 N ATOM 334 CA ASP A 24 -0.007 -15.564 5.098 1.00 0.00 C ATOM 335 C ASP A 24 0.757 -15.172 3.837 1.00 0.00 C ATOM 336 O ASP A 24 0.680 -15.855 2.816 1.00 0.00 O ATOM 337 CB ASP A 24 -0.938 -16.741 4.801 1.00 0.00 C ATOM 338 CG ASP A 24 -0.251 -18.081 4.978 1.00 0.00 C ATOM 339 OD1 ASP A 24 0.301 -18.324 6.071 1.00 0.00 O ATOM 340 OD2 ASP A 24 -0.265 -18.886 4.023 1.00 0.00 O ATOM 0 H ASP A 24 -1.567 -14.164 5.040 1.00 0.00 H new ATOM 0 HA ASP A 24 0.714 -15.864 5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.805 -16.690 5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.309 -16.658 3.779 1.00 0.00 H new ATOM 345 N MET A 25 1.493 -14.069 3.916 1.00 0.00 N ATOM 346 CA MET A 25 2.271 -13.586 2.781 1.00 0.00 C ATOM 347 C MET A 25 3.753 -13.509 3.132 1.00 0.00 C ATOM 348 O MET A 25 4.119 -13.293 4.288 1.00 0.00 O ATOM 349 CB MET A 25 1.768 -12.211 2.338 1.00 0.00 C ATOM 350 CG MET A 25 1.248 -11.356 3.482 1.00 0.00 C ATOM 351 SD MET A 25 2.494 -11.064 4.752 1.00 0.00 S ATOM 352 CE MET A 25 2.617 -9.278 4.699 1.00 0.00 C ATOM 0 H MET A 25 1.567 -13.492 4.754 1.00 0.00 H new ATOM 0 HA MET A 25 2.146 -14.292 1.960 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.579 -11.681 1.838 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.973 -12.343 1.604 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.905 -10.399 3.089 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.384 -11.844 3.932 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.364 -8.943 5.418 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.911 -8.963 3.698 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.651 -8.839 4.949 1.00 0.00 H new ATOM 362 N THR A 26 4.605 -13.688 2.126 1.00 0.00 N ATOM 363 CA THR A 26 6.047 -13.640 2.329 1.00 0.00 C ATOM 364 C THR A 26 6.691 -12.572 1.452 1.00 0.00 C ATOM 365 O THR A 26 6.134 -12.149 0.438 1.00 0.00 O ATOM 366 CB THR A 26 6.703 -15.000 2.025 1.00 0.00 C ATOM 367 OG1 THR A 26 6.137 -15.562 0.836 1.00 0.00 O ATOM 368 CG2 THR A 26 6.513 -15.963 3.187 1.00 0.00 C ATOM 0 H THR A 26 4.320 -13.867 1.163 1.00 0.00 H new ATOM 0 HA THR A 26 6.210 -13.392 3.378 1.00 0.00 H new ATOM 0 HB THR A 26 7.771 -14.839 1.877 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.561 -16.426 0.649 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.984 -16.917 2.950 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.970 -15.545 4.084 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.448 -16.118 3.361 1.00 0.00 H new ATOM 376 N PRO A 27 7.891 -12.124 1.848 1.00 0.00 N ATOM 377 CA PRO A 27 8.637 -11.100 1.110 1.00 0.00 C ATOM 378 C PRO A 27 8.702 -11.394 -0.385 1.00 0.00 C ATOM 379 O PRO A 27 8.208 -10.617 -1.204 1.00 0.00 O ATOM 380 CB PRO A 27 10.035 -11.164 1.729 1.00 0.00 C ATOM 381 CG PRO A 27 9.817 -11.692 3.105 1.00 0.00 C ATOM 382 CD PRO A 27 8.614 -12.583 3.046 1.00 0.00 C ATOM 0 HA PRO A 27 8.167 -10.120 1.186 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.693 -11.816 1.154 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.503 -10.180 1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.691 -12.246 3.449 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.659 -10.876 3.811 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.898 -13.632 2.964 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.002 -12.488 3.943 1.00 0.00 H new ATOM 390 N THR A 28 9.313 -12.521 -0.736 1.00 0.00 N ATOM 391 CA THR A 28 9.444 -12.917 -2.132 1.00 0.00 C ATOM 392 C THR A 28 8.134 -12.715 -2.885 1.00 0.00 C ATOM 393 O THR A 28 8.132 -12.348 -4.061 1.00 0.00 O ATOM 394 CB THR A 28 9.874 -14.391 -2.260 1.00 0.00 C ATOM 395 OG1 THR A 28 11.139 -14.589 -1.619 1.00 0.00 O ATOM 396 CG2 THR A 28 9.970 -14.802 -3.721 1.00 0.00 C ATOM 0 H THR A 28 9.725 -13.176 -0.072 1.00 0.00 H new ATOM 0 HA THR A 28 10.214 -12.282 -2.570 1.00 0.00 H new ATOM 0 HB THR A 28 9.120 -15.010 -1.774 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.405 -15.529 -1.703 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.275 -15.846 -3.786 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.998 -14.678 -4.199 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.706 -14.177 -4.227 1.00 0.00 H new ATOM 404 N LEU A 29 7.021 -12.956 -2.202 1.00 0.00 N ATOM 405 CA LEU A 29 5.702 -12.799 -2.806 1.00 0.00 C ATOM 406 C LEU A 29 5.436 -11.340 -3.160 1.00 0.00 C ATOM 407 O LEU A 29 5.092 -11.019 -4.299 1.00 0.00 O ATOM 408 CB LEU A 29 4.619 -13.312 -1.856 1.00 0.00 C ATOM 409 CG LEU A 29 3.253 -13.593 -2.483 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.411 -14.461 -1.562 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.532 -12.291 -2.799 1.00 0.00 C ATOM 0 H LEU A 29 7.005 -13.261 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 29 5.678 -13.386 -3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.978 -14.230 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.487 -12.580 -1.059 1.00 0.00 H new ATOM 0 HG LEU A 29 3.408 -14.134 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.443 -14.650 -2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.921 -15.408 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.265 -13.948 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.562 -12.511 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.389 -11.722 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.128 -11.706 -3.499 1.00 0.00 H new ATOM 423 N LEU A 30 5.597 -10.459 -2.179 1.00 0.00 N ATOM 424 CA LEU A 30 5.376 -9.033 -2.387 1.00 0.00 C ATOM 425 C LEU A 30 6.247 -8.507 -3.523 1.00 0.00 C ATOM 426 O LEU A 30 5.861 -7.581 -4.237 1.00 0.00 O ATOM 427 CB LEU A 30 5.672 -8.258 -1.101 1.00 0.00 C ATOM 428 CG LEU A 30 5.052 -8.820 0.179 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.245 -7.852 1.335 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.574 -9.116 -0.030 1.00 0.00 C ATOM 0 H LEU A 30 5.880 -10.708 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 30 4.330 -8.888 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.753 -8.213 -0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.324 -7.233 -1.230 1.00 0.00 H new ATOM 0 HG LEU A 30 5.558 -9.753 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.797 -8.269 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.310 -7.690 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.766 -6.902 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.149 -9.515 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.054 -8.197 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.459 -9.848 -0.830 1.00 0.00 H new ATOM 442 N ARG A 31 7.423 -9.104 -3.685 1.00 0.00 N ATOM 443 CA ARG A 31 8.349 -8.696 -4.735 1.00 0.00 C ATOM 444 C ARG A 31 7.702 -8.827 -6.111 1.00 0.00 C ATOM 445 O ARG A 31 7.879 -7.969 -6.975 1.00 0.00 O ATOM 446 CB ARG A 31 9.623 -9.540 -4.677 1.00 0.00 C ATOM 447 CG ARG A 31 10.623 -9.063 -3.636 1.00 0.00 C ATOM 448 CD ARG A 31 12.035 -9.517 -3.969 1.00 0.00 C ATOM 449 NE ARG A 31 12.555 -8.855 -5.163 1.00 0.00 N ATOM 450 CZ ARG A 31 13.786 -9.040 -5.628 1.00 0.00 C ATOM 451 NH1 ARG A 31 14.618 -9.862 -5.003 1.00 0.00 N ATOM 452 NH2 ARG A 31 14.187 -8.401 -6.720 1.00 0.00 N ATOM 0 H ARG A 31 7.757 -9.872 -3.103 1.00 0.00 H new ATOM 0 HA ARG A 31 8.607 -7.650 -4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.354 -10.574 -4.463 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.100 -9.531 -5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.595 -7.975 -3.575 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.339 -9.445 -2.655 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.692 -9.309 -3.124 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.043 -10.596 -4.120 1.00 0.00 H new ATOM 0 HE ARG A 31 11.940 -8.216 -5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.314 -10.354 -4.163 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.562 -10.002 -5.362 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.550 -7.767 -7.203 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.132 -8.544 -7.076 1.00 0.00 H new ATOM 466 N GLY A 32 6.952 -9.907 -6.306 1.00 0.00 N ATOM 467 CA GLY A 32 6.291 -10.130 -7.579 1.00 0.00 C ATOM 468 C GLY A 32 4.889 -9.555 -7.613 1.00 0.00 C ATOM 469 O GLY A 32 4.228 -9.573 -8.651 1.00 0.00 O ATOM 0 H GLY A 32 6.790 -10.631 -5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.884 -9.681 -8.376 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.246 -11.201 -7.779 1.00 0.00 H new ATOM 473 N ALA A 33 4.433 -9.044 -6.474 1.00 0.00 N ATOM 474 CA ALA A 33 3.100 -8.460 -6.378 1.00 0.00 C ATOM 475 C ALA A 33 3.149 -6.947 -6.561 1.00 0.00 C ATOM 476 O ALA A 33 2.227 -6.349 -7.115 1.00 0.00 O ATOM 477 CB ALA A 33 2.466 -8.811 -5.040 1.00 0.00 C ATOM 0 H ALA A 33 4.967 -9.022 -5.605 1.00 0.00 H new ATOM 0 HA ALA A 33 2.489 -8.877 -7.178 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.471 -8.369 -4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.388 -9.894 -4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.084 -8.422 -4.231 1.00 0.00 H new ATOM 483 N PHE A 34 4.231 -6.334 -6.093 1.00 0.00 N ATOM 484 CA PHE A 34 4.400 -4.889 -6.205 1.00 0.00 C ATOM 485 C PHE A 34 5.205 -4.530 -7.450 1.00 0.00 C ATOM 486 O PHE A 34 5.083 -3.428 -7.984 1.00 0.00 O ATOM 487 CB PHE A 34 5.093 -4.338 -4.957 1.00 0.00 C ATOM 488 CG PHE A 34 4.199 -4.275 -3.752 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.829 -5.432 -3.086 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.729 -3.058 -3.285 1.00 0.00 C ATOM 491 CE1 PHE A 34 3.006 -5.377 -1.978 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.905 -2.996 -2.177 1.00 0.00 C ATOM 493 CZ PHE A 34 2.544 -4.157 -1.522 1.00 0.00 C ATOM 0 H PHE A 34 5.004 -6.815 -5.633 1.00 0.00 H new ATOM 0 HA PHE A 34 3.412 -4.438 -6.292 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.957 -4.961 -4.726 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.470 -3.338 -5.172 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.188 -6.388 -3.437 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.010 -2.147 -3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.724 -6.287 -1.469 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.544 -2.041 -1.824 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.902 -4.112 -0.655 1.00 0.00 H new ATOM 503 N SER A 35 6.029 -5.468 -7.905 1.00 0.00 N ATOM 504 CA SER A 35 6.859 -5.250 -9.084 1.00 0.00 C ATOM 505 C SER A 35 6.002 -4.880 -10.291 1.00 0.00 C ATOM 506 O SER A 35 6.301 -3.945 -11.034 1.00 0.00 O ATOM 507 CB SER A 35 7.682 -6.502 -9.394 1.00 0.00 C ATOM 508 OG SER A 35 7.886 -6.647 -10.788 1.00 0.00 O ATOM 0 H SER A 35 6.140 -6.386 -7.475 1.00 0.00 H new ATOM 0 HA SER A 35 7.536 -4.422 -8.873 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.645 -6.442 -8.887 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.171 -7.382 -9.005 1.00 0.00 H new ATOM 0 HG SER A 35 8.416 -7.454 -10.959 1.00 0.00 H new ATOM 514 N PRO A 36 4.909 -5.631 -10.491 1.00 0.00 N ATOM 515 CA PRO A 36 3.984 -5.402 -11.606 1.00 0.00 C ATOM 516 C PRO A 36 3.592 -3.934 -11.741 1.00 0.00 C ATOM 517 O PRO A 36 3.144 -3.496 -12.801 1.00 0.00 O ATOM 518 CB PRO A 36 2.765 -6.249 -11.235 1.00 0.00 C ATOM 519 CG PRO A 36 3.305 -7.330 -10.363 1.00 0.00 C ATOM 520 CD PRO A 36 4.491 -6.761 -9.645 1.00 0.00 C ATOM 0 HA PRO A 36 4.428 -5.667 -12.565 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.015 -5.656 -10.711 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.284 -6.660 -12.122 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.549 -7.667 -9.653 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.593 -8.197 -10.957 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.229 -6.432 -8.640 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.287 -7.498 -9.542 1.00 0.00 H new ATOM 528 N PHE A 37 3.764 -3.179 -10.662 1.00 0.00 N ATOM 529 CA PHE A 37 3.428 -1.760 -10.660 1.00 0.00 C ATOM 530 C PHE A 37 4.629 -0.915 -11.075 1.00 0.00 C ATOM 531 O PHE A 37 4.479 0.126 -11.713 1.00 0.00 O ATOM 532 CB PHE A 37 2.943 -1.331 -9.274 1.00 0.00 C ATOM 533 CG PHE A 37 1.608 -1.909 -8.900 1.00 0.00 C ATOM 534 CD1 PHE A 37 1.518 -3.174 -8.343 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.443 -1.187 -9.106 1.00 0.00 C ATOM 536 CE1 PHE A 37 0.291 -3.709 -7.998 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.786 -1.717 -8.763 1.00 0.00 C ATOM 538 CZ PHE A 37 -0.863 -2.980 -8.209 1.00 0.00 C ATOM 0 H PHE A 37 4.134 -3.526 -9.777 1.00 0.00 H new ATOM 0 HA PHE A 37 2.628 -1.601 -11.383 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.681 -1.632 -8.531 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.881 -0.243 -9.240 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.417 -3.749 -8.176 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.496 -0.199 -9.539 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.235 -4.696 -7.564 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.686 -1.144 -8.928 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.823 -3.396 -7.942 1.00 0.00 H new ATOM 548 N GLY A 38 5.822 -1.373 -10.707 1.00 0.00 N ATOM 549 CA GLY A 38 7.032 -0.648 -11.049 1.00 0.00 C ATOM 550 C GLY A 38 8.285 -1.355 -10.572 1.00 0.00 C ATOM 551 O GLY A 38 8.514 -2.518 -10.902 1.00 0.00 O ATOM 0 H GLY A 38 5.972 -2.232 -10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.081 -0.518 -12.130 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.991 0.349 -10.610 1.00 0.00 H new ATOM 555 N ASN A 39 9.101 -0.650 -9.794 1.00 0.00 N ATOM 556 CA ASN A 39 10.339 -1.216 -9.273 1.00 0.00 C ATOM 557 C ASN A 39 10.399 -1.087 -7.754 1.00 0.00 C ATOM 558 O ASN A 39 9.992 -0.071 -7.190 1.00 0.00 O ATOM 559 CB ASN A 39 11.547 -0.521 -9.903 1.00 0.00 C ATOM 560 CG ASN A 39 12.852 -1.224 -9.581 1.00 0.00 C ATOM 561 OD1 ASN A 39 12.929 -2.453 -9.598 1.00 0.00 O ATOM 562 ND2 ASN A 39 13.886 -0.445 -9.285 1.00 0.00 N ATOM 0 H ASN A 39 8.926 0.314 -9.511 1.00 0.00 H new ATOM 0 HA ASN A 39 10.362 -2.275 -9.531 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.416 -0.481 -10.984 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.595 0.509 -9.549 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.790 -0.861 -9.060 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.776 0.569 -9.283 1.00 0.00 H new ATOM 569 N ILE A 40 10.910 -2.124 -7.097 1.00 0.00 N ATOM 570 CA ILE A 40 11.024 -2.125 -5.644 1.00 0.00 C ATOM 571 C ILE A 40 12.465 -1.886 -5.206 1.00 0.00 C ATOM 572 O ILE A 40 13.331 -2.742 -5.390 1.00 0.00 O ATOM 573 CB ILE A 40 10.531 -3.454 -5.042 1.00 0.00 C ATOM 574 CG1 ILE A 40 9.052 -3.670 -5.369 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.754 -3.469 -3.537 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.597 -5.101 -5.192 1.00 0.00 C ATOM 0 H ILE A 40 11.251 -2.973 -7.548 1.00 0.00 H new ATOM 0 HA ILE A 40 10.395 -1.314 -5.277 1.00 0.00 H new ATOM 0 HB ILE A 40 11.104 -4.270 -5.483 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.449 -3.024 -4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.867 -3.363 -6.399 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.400 -4.415 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.817 -3.356 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.204 -2.647 -3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.539 -5.180 -5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.174 -5.750 -5.850 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.749 -5.406 -4.157 1.00 0.00 H new ATOM 588 N ILE A 41 12.715 -0.717 -4.626 1.00 0.00 N ATOM 589 CA ILE A 41 14.050 -0.366 -4.159 1.00 0.00 C ATOM 590 C ILE A 41 14.215 -0.682 -2.676 1.00 0.00 C ATOM 591 O ILE A 41 15.329 -0.887 -2.195 1.00 0.00 O ATOM 592 CB ILE A 41 14.354 1.126 -4.391 1.00 0.00 C ATOM 593 CG1 ILE A 41 13.163 1.984 -3.957 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.690 1.377 -5.853 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.453 3.469 -3.968 1.00 0.00 C ATOM 0 H ILE A 41 12.010 0.003 -4.468 1.00 0.00 H new ATOM 0 HA ILE A 41 14.753 -0.966 -4.736 1.00 0.00 H new ATOM 0 HB ILE A 41 15.218 1.404 -3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.320 1.782 -4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.859 1.689 -2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 41 14.902 2.436 -6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.565 0.789 -6.131 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.844 1.086 -6.476 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.565 4.015 -3.650 1.00 0.00 H new ATOM 0 HD12 ILE A 41 14.276 3.684 -3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.728 3.779 -4.976 1.00 0.00 H new ATOM 607 N ASP A 42 13.098 -0.722 -1.958 1.00 0.00 N ATOM 608 CA ASP A 42 13.118 -1.016 -0.530 1.00 0.00 C ATOM 609 C ASP A 42 11.906 -1.853 -0.131 1.00 0.00 C ATOM 610 O ASP A 42 10.768 -1.388 -0.197 1.00 0.00 O ATOM 611 CB ASP A 42 13.146 0.281 0.280 1.00 0.00 C ATOM 612 CG ASP A 42 13.762 0.094 1.652 1.00 0.00 C ATOM 613 OD1 ASP A 42 14.997 0.236 1.772 1.00 0.00 O ATOM 614 OD2 ASP A 42 13.010 -0.196 2.607 1.00 0.00 O ATOM 0 H ASP A 42 12.168 -0.555 -2.341 1.00 0.00 H new ATOM 0 HA ASP A 42 14.020 -1.589 -0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.710 1.036 -0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.130 0.659 0.390 1.00 0.00 H new ATOM 619 N LEU A 43 12.159 -3.090 0.282 1.00 0.00 N ATOM 620 CA LEU A 43 11.089 -3.993 0.691 1.00 0.00 C ATOM 621 C LEU A 43 11.460 -4.733 1.973 1.00 0.00 C ATOM 622 O LEU A 43 12.374 -5.557 1.983 1.00 0.00 O ATOM 623 CB LEU A 43 10.789 -4.998 -0.422 1.00 0.00 C ATOM 624 CG LEU A 43 10.049 -6.268 0.000 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.837 -5.921 0.851 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.632 -7.074 -1.222 1.00 0.00 C ATOM 0 H LEU A 43 13.095 -3.490 0.342 1.00 0.00 H new ATOM 0 HA LEU A 43 10.198 -3.396 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.199 -4.495 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.732 -5.288 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 43 10.726 -6.878 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.323 -6.837 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.161 -5.387 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.158 -5.290 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.107 -7.974 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.973 -6.472 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.517 -7.354 -1.793 1.00 0.00 H new ATOM 638 N SER A 44 10.744 -4.434 3.051 1.00 0.00 N ATOM 639 CA SER A 44 10.999 -5.069 4.339 1.00 0.00 C ATOM 640 C SER A 44 9.746 -5.767 4.858 1.00 0.00 C ATOM 641 O SER A 44 8.626 -5.317 4.616 1.00 0.00 O ATOM 642 CB SER A 44 11.478 -4.032 5.357 1.00 0.00 C ATOM 643 OG SER A 44 12.093 -4.657 6.470 1.00 0.00 O ATOM 0 H SER A 44 9.982 -3.756 3.059 1.00 0.00 H new ATOM 0 HA SER A 44 11.779 -5.817 4.199 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.184 -3.351 4.882 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.633 -3.431 5.694 1.00 0.00 H new ATOM 0 HG SER A 44 12.392 -3.973 7.105 1.00 0.00 H new ATOM 649 N MET A 45 9.943 -6.869 5.574 1.00 0.00 N ATOM 650 CA MET A 45 8.830 -7.629 6.129 1.00 0.00 C ATOM 651 C MET A 45 9.022 -7.862 7.624 1.00 0.00 C ATOM 652 O MET A 45 10.138 -8.102 8.086 1.00 0.00 O ATOM 653 CB MET A 45 8.689 -8.970 5.407 1.00 0.00 C ATOM 654 CG MET A 45 7.756 -8.919 4.207 1.00 0.00 C ATOM 655 SD MET A 45 6.047 -9.298 4.640 1.00 0.00 S ATOM 656 CE MET A 45 5.616 -10.451 3.339 1.00 0.00 C ATOM 0 H MET A 45 10.863 -7.255 5.783 1.00 0.00 H new ATOM 0 HA MET A 45 7.919 -7.048 5.983 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.674 -9.301 5.077 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.321 -9.716 6.112 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.802 -7.927 3.758 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.101 -9.626 3.453 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.592 -10.266 3.013 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.295 -10.319 2.496 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.698 -11.471 3.715 1.00 0.00 H new ATOM 666 N ASP A 46 7.929 -7.789 8.375 1.00 0.00 N ATOM 667 CA ASP A 46 7.977 -7.993 9.819 1.00 0.00 C ATOM 668 C ASP A 46 6.972 -9.056 10.252 1.00 0.00 C ATOM 669 O ASP A 46 5.792 -8.779 10.465 1.00 0.00 O ATOM 670 CB ASP A 46 7.696 -6.679 10.550 1.00 0.00 C ATOM 671 CG ASP A 46 8.889 -5.744 10.540 1.00 0.00 C ATOM 672 OD1 ASP A 46 9.814 -5.953 11.352 1.00 0.00 O ATOM 673 OD2 ASP A 46 8.898 -4.802 9.720 1.00 0.00 O ATOM 0 H ASP A 46 6.998 -7.590 8.008 1.00 0.00 H new ATOM 0 HA ASP A 46 8.978 -8.338 10.080 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.845 -6.182 10.084 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.415 -6.893 11.581 1.00 0.00 H new ATOM 678 N PRO A 47 7.449 -10.302 10.384 1.00 0.00 N ATOM 679 CA PRO A 47 6.609 -11.432 10.792 1.00 0.00 C ATOM 680 C PRO A 47 5.758 -11.109 12.016 1.00 0.00 C ATOM 681 O PRO A 47 4.573 -11.437 12.082 1.00 0.00 O ATOM 682 CB PRO A 47 7.625 -12.529 11.122 1.00 0.00 C ATOM 683 CG PRO A 47 8.823 -12.194 10.302 1.00 0.00 C ATOM 684 CD PRO A 47 8.846 -10.705 10.147 1.00 0.00 C ATOM 0 HA PRO A 47 5.897 -11.711 10.016 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.864 -12.541 12.185 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.237 -13.516 10.871 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.733 -12.545 10.788 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.773 -12.682 9.329 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.523 -10.239 10.863 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.183 -10.412 9.153 1.00 0.00 H new ATOM 692 N PRO A 48 6.374 -10.451 13.009 1.00 0.00 N ATOM 693 CA PRO A 48 5.690 -10.068 14.248 1.00 0.00 C ATOM 694 C PRO A 48 4.346 -9.397 13.986 1.00 0.00 C ATOM 695 O PRO A 48 3.299 -9.905 14.388 1.00 0.00 O ATOM 696 CB PRO A 48 6.662 -9.081 14.899 1.00 0.00 C ATOM 697 CG PRO A 48 8.001 -9.462 14.368 1.00 0.00 C ATOM 698 CD PRO A 48 7.784 -10.028 12.998 1.00 0.00 C ATOM 0 HA PRO A 48 5.459 -10.933 14.869 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.412 -8.052 14.642 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.632 -9.154 15.986 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.661 -8.595 14.327 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.479 -10.196 15.017 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.972 -9.284 12.224 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.451 -10.867 12.802 1.00 0.00 H new ATOM 706 N ARG A 49 4.383 -8.255 13.308 1.00 0.00 N ATOM 707 CA ARG A 49 3.167 -7.514 12.993 1.00 0.00 C ATOM 708 C ARG A 49 2.537 -8.028 11.702 1.00 0.00 C ATOM 709 O ARG A 49 1.472 -7.567 11.293 1.00 0.00 O ATOM 710 CB ARG A 49 3.473 -6.021 12.864 1.00 0.00 C ATOM 711 CG ARG A 49 3.497 -5.287 14.195 1.00 0.00 C ATOM 712 CD ARG A 49 4.794 -5.540 14.947 1.00 0.00 C ATOM 713 NE ARG A 49 4.999 -4.576 16.025 1.00 0.00 N ATOM 714 CZ ARG A 49 6.189 -4.301 16.549 1.00 0.00 C ATOM 715 NH1 ARG A 49 7.274 -4.914 16.096 1.00 0.00 N ATOM 716 NH2 ARG A 49 6.294 -3.411 17.527 1.00 0.00 N ATOM 0 H ARG A 49 5.241 -7.823 12.966 1.00 0.00 H new ATOM 0 HA ARG A 49 2.459 -7.664 13.808 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.438 -5.898 12.373 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.726 -5.560 12.218 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.377 -4.217 14.024 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.653 -5.609 14.805 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.783 -6.549 15.360 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.632 -5.490 14.252 1.00 0.00 H new ATOM 0 HE ARG A 49 4.184 -4.087 16.396 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.196 -5.598 15.344 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.186 -4.701 16.500 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.461 -2.937 17.877 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.208 -3.200 17.929 1.00 0.00 H new ATOM 730 N ASN A 50 3.202 -8.986 11.065 1.00 0.00 N ATOM 731 CA ASN A 50 2.708 -9.562 9.820 1.00 0.00 C ATOM 732 C ASN A 50 2.477 -8.478 8.772 1.00 0.00 C ATOM 733 O ASN A 50 1.540 -8.557 7.978 1.00 0.00 O ATOM 734 CB ASN A 50 1.408 -10.330 10.070 1.00 0.00 C ATOM 735 CG ASN A 50 1.618 -11.555 10.940 1.00 0.00 C ATOM 736 OD1 ASN A 50 1.723 -11.450 12.162 1.00 0.00 O ATOM 737 ND2 ASN A 50 1.681 -12.723 10.312 1.00 0.00 N ATOM 0 H ASN A 50 4.085 -9.380 11.391 1.00 0.00 H new ATOM 0 HA ASN A 50 3.464 -10.251 9.443 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.685 -9.669 10.547 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.980 -10.635 9.115 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.822 -13.581 10.845 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.589 -12.762 9.297 1.00 0.00 H new ATOM 744 N CYS A 51 3.338 -7.466 8.777 1.00 0.00 N ATOM 745 CA CYS A 51 3.228 -6.364 7.828 1.00 0.00 C ATOM 746 C CYS A 51 4.501 -6.233 6.998 1.00 0.00 C ATOM 747 O CYS A 51 5.436 -7.018 7.150 1.00 0.00 O ATOM 748 CB CYS A 51 2.948 -5.054 8.565 1.00 0.00 C ATOM 749 SG CYS A 51 1.240 -4.877 9.133 1.00 0.00 S ATOM 0 H CYS A 51 4.120 -7.386 9.427 1.00 0.00 H new ATOM 0 HA CYS A 51 2.397 -6.578 7.155 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.615 -4.983 9.425 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.189 -4.220 7.906 1.00 0.00 H new ATOM 0 HG CYS A 51 0.440 -5.460 8.290 1.00 0.00 H new ATOM 755 N ALA A 52 4.528 -5.236 6.119 1.00 0.00 N ATOM 756 CA ALA A 52 5.686 -5.002 5.265 1.00 0.00 C ATOM 757 C ALA A 52 5.731 -3.555 4.786 1.00 0.00 C ATOM 758 O ALA A 52 4.795 -2.787 5.011 1.00 0.00 O ATOM 759 CB ALA A 52 5.667 -5.953 4.078 1.00 0.00 C ATOM 0 H ALA A 52 3.761 -4.578 5.980 1.00 0.00 H new ATOM 0 HA ALA A 52 6.584 -5.191 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.537 -5.767 3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.691 -6.982 4.436 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.759 -5.792 3.497 1.00 0.00 H new ATOM 765 N PHE A 53 6.824 -3.189 4.124 1.00 0.00 N ATOM 766 CA PHE A 53 6.991 -1.833 3.614 1.00 0.00 C ATOM 767 C PHE A 53 7.689 -1.845 2.257 1.00 0.00 C ATOM 768 O PHE A 53 8.882 -2.132 2.163 1.00 0.00 O ATOM 769 CB PHE A 53 7.793 -0.988 4.606 1.00 0.00 C ATOM 770 CG PHE A 53 7.320 -1.119 6.025 1.00 0.00 C ATOM 771 CD1 PHE A 53 7.796 -2.136 6.837 1.00 0.00 C ATOM 772 CD2 PHE A 53 6.399 -0.225 6.548 1.00 0.00 C ATOM 773 CE1 PHE A 53 7.362 -2.260 8.143 1.00 0.00 C ATOM 774 CE2 PHE A 53 5.962 -0.343 7.854 1.00 0.00 C ATOM 775 CZ PHE A 53 6.444 -1.361 8.653 1.00 0.00 C ATOM 0 H PHE A 53 7.607 -3.813 3.928 1.00 0.00 H new ATOM 0 HA PHE A 53 6.001 -1.393 3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.842 -1.278 4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.737 0.059 4.308 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.515 -2.840 6.444 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.018 0.573 5.928 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.740 -3.058 8.765 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.244 0.360 8.249 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.105 -1.455 9.674 1.00 0.00 H new ATOM 785 N VAL A 54 6.935 -1.531 1.208 1.00 0.00 N ATOM 786 CA VAL A 54 7.480 -1.504 -0.144 1.00 0.00 C ATOM 787 C VAL A 54 7.662 -0.073 -0.635 1.00 0.00 C ATOM 788 O VAL A 54 6.764 0.760 -0.502 1.00 0.00 O ATOM 789 CB VAL A 54 6.571 -2.262 -1.130 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.171 -2.247 -2.528 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.343 -3.689 -0.655 1.00 0.00 C ATOM 0 H VAL A 54 5.945 -1.292 1.269 1.00 0.00 H new ATOM 0 HA VAL A 54 8.451 -1.997 -0.104 1.00 0.00 H new ATOM 0 HB VAL A 54 5.606 -1.757 -1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.515 -2.787 -3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.278 -1.217 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.150 -2.727 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.699 -4.210 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.300 -4.207 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.867 -3.674 0.325 1.00 0.00 H new ATOM 801 N THR A 55 8.830 0.208 -1.204 1.00 0.00 N ATOM 802 CA THR A 55 9.131 1.539 -1.715 1.00 0.00 C ATOM 803 C THR A 55 9.335 1.516 -3.226 1.00 0.00 C ATOM 804 O THR A 55 10.109 0.711 -3.745 1.00 0.00 O ATOM 805 CB THR A 55 10.389 2.126 -1.048 1.00 0.00 C ATOM 806 OG1 THR A 55 10.275 2.037 0.377 1.00 0.00 O ATOM 807 CG2 THR A 55 10.591 3.578 -1.456 1.00 0.00 C ATOM 0 H THR A 55 9.583 -0.469 -1.322 1.00 0.00 H new ATOM 0 HA THR A 55 8.274 2.169 -1.476 1.00 0.00 H new ATOM 0 HB THR A 55 11.252 1.549 -1.380 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.998 2.549 0.796 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.485 3.971 -0.972 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.707 3.639 -2.538 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.725 4.166 -1.150 1.00 0.00 H new ATOM 815 N TYR A 56 8.636 2.402 -3.926 1.00 0.00 N ATOM 816 CA TYR A 56 8.739 2.481 -5.378 1.00 0.00 C ATOM 817 C TYR A 56 9.733 3.561 -5.796 1.00 0.00 C ATOM 818 O TYR A 56 9.821 4.615 -5.166 1.00 0.00 O ATOM 819 CB TYR A 56 7.368 2.769 -5.993 1.00 0.00 C ATOM 820 CG TYR A 56 6.453 1.565 -6.021 1.00 0.00 C ATOM 821 CD1 TYR A 56 6.847 0.383 -6.635 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.194 1.612 -5.435 1.00 0.00 C ATOM 823 CE1 TYR A 56 6.014 -0.719 -6.664 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.355 0.514 -5.458 1.00 0.00 C ATOM 825 CZ TYR A 56 4.769 -0.648 -6.073 1.00 0.00 C ATOM 826 OH TYR A 56 3.936 -1.743 -6.099 1.00 0.00 O ATOM 0 H TYR A 56 7.992 3.076 -3.511 1.00 0.00 H new ATOM 0 HA TYR A 56 9.099 1.519 -5.744 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.887 3.568 -5.429 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.505 3.135 -7.011 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.821 0.324 -7.098 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.866 2.521 -4.954 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.335 -1.630 -7.146 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.380 0.566 -4.996 1.00 0.00 H new ATOM 0 HH TYR A 56 4.237 -2.366 -6.793 1.00 0.00 H new ATOM 836 N GLU A 57 10.478 3.290 -6.863 1.00 0.00 N ATOM 837 CA GLU A 57 11.466 4.238 -7.365 1.00 0.00 C ATOM 838 C GLU A 57 10.810 5.568 -7.724 1.00 0.00 C ATOM 839 O GLU A 57 11.481 6.594 -7.837 1.00 0.00 O ATOM 840 CB GLU A 57 12.182 3.662 -8.588 1.00 0.00 C ATOM 841 CG GLU A 57 13.056 4.672 -9.313 1.00 0.00 C ATOM 842 CD GLU A 57 13.655 4.115 -10.590 1.00 0.00 C ATOM 843 OE1 GLU A 57 12.885 3.840 -11.534 1.00 0.00 O ATOM 844 OE2 GLU A 57 14.892 3.955 -10.645 1.00 0.00 O ATOM 0 H GLU A 57 10.416 2.423 -7.396 1.00 0.00 H new ATOM 0 HA GLU A 57 12.197 4.415 -6.576 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.798 2.820 -8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.439 3.272 -9.283 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.464 5.556 -9.549 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.859 4.994 -8.650 1.00 0.00 H new ATOM 851 N LYS A 58 9.494 5.542 -7.903 1.00 0.00 N ATOM 852 CA LYS A 58 8.744 6.744 -8.249 1.00 0.00 C ATOM 853 C LYS A 58 7.507 6.886 -7.369 1.00 0.00 C ATOM 854 O LYS A 58 7.074 5.927 -6.731 1.00 0.00 O ATOM 855 CB LYS A 58 8.333 6.707 -9.723 1.00 0.00 C ATOM 856 CG LYS A 58 9.505 6.551 -10.677 1.00 0.00 C ATOM 857 CD LYS A 58 9.127 6.951 -12.094 1.00 0.00 C ATOM 858 CE LYS A 58 9.058 8.463 -12.246 1.00 0.00 C ATOM 859 NZ LYS A 58 10.382 9.046 -12.601 1.00 0.00 N ATOM 0 H LYS A 58 8.924 4.701 -7.814 1.00 0.00 H new ATOM 0 HA LYS A 58 9.389 7.606 -8.079 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.637 5.882 -9.877 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.797 7.625 -9.965 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.338 7.165 -10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.847 5.516 -10.669 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.858 6.547 -12.795 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.162 6.514 -12.352 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.331 8.718 -13.017 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.704 8.906 -11.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.293 10.078 -12.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.070 8.825 -11.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.708 8.643 -13.502 1.00 0.00 H new ATOM 873 N MET A 59 6.942 8.089 -7.340 1.00 0.00 N ATOM 874 CA MET A 59 5.752 8.355 -6.539 1.00 0.00 C ATOM 875 C MET A 59 4.488 7.963 -7.297 1.00 0.00 C ATOM 876 O MET A 59 3.449 7.698 -6.694 1.00 0.00 O ATOM 877 CB MET A 59 5.692 9.834 -6.153 1.00 0.00 C ATOM 878 CG MET A 59 5.377 10.754 -7.321 1.00 0.00 C ATOM 879 SD MET A 59 6.854 11.260 -8.224 1.00 0.00 S ATOM 880 CE MET A 59 6.362 10.895 -9.907 1.00 0.00 C ATOM 0 H MET A 59 7.289 8.894 -7.861 1.00 0.00 H new ATOM 0 HA MET A 59 5.812 7.753 -5.633 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.935 9.969 -5.380 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.648 10.127 -5.718 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.694 10.248 -8.003 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.860 11.640 -6.952 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.963 11.486 -10.598 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.514 9.835 -10.109 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.309 11.142 -10.040 1.00 0.00 H new ATOM 890 N GLU A 60 4.585 7.929 -8.623 1.00 0.00 N ATOM 891 CA GLU A 60 3.447 7.570 -9.462 1.00 0.00 C ATOM 892 C GLU A 60 2.999 6.137 -9.188 1.00 0.00 C ATOM 893 O GLU A 60 1.871 5.758 -9.501 1.00 0.00 O ATOM 894 CB GLU A 60 3.806 7.730 -10.941 1.00 0.00 C ATOM 895 CG GLU A 60 5.139 7.104 -11.316 1.00 0.00 C ATOM 896 CD GLU A 60 5.180 6.639 -12.758 1.00 0.00 C ATOM 897 OE1 GLU A 60 4.429 5.702 -13.102 1.00 0.00 O ATOM 898 OE2 GLU A 60 5.963 7.214 -13.544 1.00 0.00 O ATOM 0 H GLU A 60 5.438 8.145 -9.138 1.00 0.00 H new ATOM 0 HA GLU A 60 2.623 8.242 -9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.020 7.280 -11.548 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.831 8.792 -11.187 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.936 7.828 -11.149 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.336 6.257 -10.659 1.00 0.00 H new ATOM 905 N SER A 61 3.893 5.346 -8.603 1.00 0.00 N ATOM 906 CA SER A 61 3.592 3.954 -8.291 1.00 0.00 C ATOM 907 C SER A 61 3.009 3.826 -6.887 1.00 0.00 C ATOM 908 O SER A 61 2.211 2.930 -6.614 1.00 0.00 O ATOM 909 CB SER A 61 4.854 3.098 -8.412 1.00 0.00 C ATOM 910 OG SER A 61 5.143 2.803 -9.767 1.00 0.00 O ATOM 0 H SER A 61 4.831 5.645 -8.336 1.00 0.00 H new ATOM 0 HA SER A 61 2.851 3.599 -9.007 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.697 3.623 -7.963 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.723 2.170 -7.855 1.00 0.00 H new ATOM 0 HG SER A 61 5.955 2.256 -9.817 1.00 0.00 H new ATOM 916 N ALA A 62 3.415 4.728 -6.000 1.00 0.00 N ATOM 917 CA ALA A 62 2.933 4.718 -4.624 1.00 0.00 C ATOM 918 C ALA A 62 1.410 4.774 -4.576 1.00 0.00 C ATOM 919 O ALA A 62 0.767 3.924 -3.959 1.00 0.00 O ATOM 920 CB ALA A 62 3.530 5.882 -3.847 1.00 0.00 C ATOM 0 H ALA A 62 4.077 5.475 -6.210 1.00 0.00 H new ATOM 0 HA ALA A 62 3.252 3.784 -4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.161 5.862 -2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.617 5.798 -3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.240 6.821 -4.318 1.00 0.00 H new ATOM 926 N ASP A 63 0.838 5.779 -5.230 1.00 0.00 N ATOM 927 CA ASP A 63 -0.610 5.945 -5.262 1.00 0.00 C ATOM 928 C ASP A 63 -1.273 4.791 -6.007 1.00 0.00 C ATOM 929 O ASP A 63 -2.332 4.309 -5.607 1.00 0.00 O ATOM 930 CB ASP A 63 -0.978 7.274 -5.924 1.00 0.00 C ATOM 931 CG ASP A 63 -2.421 7.310 -6.387 1.00 0.00 C ATOM 932 OD1 ASP A 63 -2.703 6.793 -7.488 1.00 0.00 O ATOM 933 OD2 ASP A 63 -3.268 7.857 -5.650 1.00 0.00 O ATOM 0 H ASP A 63 1.355 6.491 -5.745 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.973 5.947 -4.234 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.805 8.088 -5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.321 7.446 -6.777 1.00 0.00 H new ATOM 938 N GLN A 64 -0.643 4.355 -7.093 1.00 0.00 N ATOM 939 CA GLN A 64 -1.173 3.259 -7.895 1.00 0.00 C ATOM 940 C GLN A 64 -1.373 2.009 -7.044 1.00 0.00 C ATOM 941 O GLN A 64 -2.503 1.588 -6.798 1.00 0.00 O ATOM 942 CB GLN A 64 -0.233 2.951 -9.062 1.00 0.00 C ATOM 943 CG GLN A 64 -0.444 3.852 -10.267 1.00 0.00 C ATOM 944 CD GLN A 64 0.248 3.333 -11.512 1.00 0.00 C ATOM 945 OE1 GLN A 64 0.052 2.185 -11.912 1.00 0.00 O ATOM 946 NE2 GLN A 64 1.062 4.178 -12.133 1.00 0.00 N ATOM 0 H GLN A 64 0.235 4.744 -7.438 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.141 3.567 -8.290 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.798 3.048 -8.722 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.372 1.913 -9.366 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.512 3.947 -10.462 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.072 4.851 -10.039 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.195 5.121 -11.766 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.554 3.885 -12.977 1.00 0.00 H new ATOM 955 N ALA A 65 -0.268 1.420 -6.598 1.00 0.00 N ATOM 956 CA ALA A 65 -0.323 0.219 -5.773 1.00 0.00 C ATOM 957 C ALA A 65 -1.353 0.365 -4.659 1.00 0.00 C ATOM 958 O ALA A 65 -2.276 -0.442 -4.543 1.00 0.00 O ATOM 959 CB ALA A 65 1.050 -0.082 -5.189 1.00 0.00 C ATOM 0 H ALA A 65 0.675 1.755 -6.794 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.628 -0.614 -6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.995 -0.981 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.763 -0.238 -5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.376 0.757 -4.575 1.00 0.00 H new ATOM 965 N VAL A 66 -1.191 1.399 -3.839 1.00 0.00 N ATOM 966 CA VAL A 66 -2.108 1.650 -2.734 1.00 0.00 C ATOM 967 C VAL A 66 -3.548 1.740 -3.224 1.00 0.00 C ATOM 968 O VAL A 66 -4.490 1.629 -2.440 1.00 0.00 O ATOM 969 CB VAL A 66 -1.748 2.951 -1.991 1.00 0.00 C ATOM 970 CG1 VAL A 66 -2.935 3.448 -1.179 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.534 2.737 -1.100 1.00 0.00 C ATOM 0 H VAL A 66 -0.433 2.076 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.013 0.809 -2.047 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.498 3.713 -2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.662 4.368 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.776 3.642 -1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.219 2.691 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.294 3.666 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.753 1.960 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.316 2.431 -1.710 1.00 0.00 H new ATOM 981 N ALA A 67 -3.712 1.940 -4.528 1.00 0.00 N ATOM 982 CA ALA A 67 -5.039 2.041 -5.124 1.00 0.00 C ATOM 983 C ALA A 67 -5.534 0.679 -5.595 1.00 0.00 C ATOM 984 O ALA A 67 -6.730 0.392 -5.544 1.00 0.00 O ATOM 985 CB ALA A 67 -5.023 3.029 -6.282 1.00 0.00 C ATOM 0 H ALA A 67 -2.943 2.035 -5.191 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.727 2.404 -4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.020 3.095 -6.718 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.720 4.011 -5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.317 2.690 -7.040 1.00 0.00 H new ATOM 991 N GLU A 68 -4.608 -0.157 -6.055 1.00 0.00 N ATOM 992 CA GLU A 68 -4.953 -1.489 -6.537 1.00 0.00 C ATOM 993 C GLU A 68 -4.722 -2.537 -5.452 1.00 0.00 C ATOM 994 O GLU A 68 -5.642 -3.258 -5.063 1.00 0.00 O ATOM 995 CB GLU A 68 -4.129 -1.835 -7.779 1.00 0.00 C ATOM 996 CG GLU A 68 -4.271 -0.825 -8.905 1.00 0.00 C ATOM 997 CD GLU A 68 -4.088 -1.448 -10.275 1.00 0.00 C ATOM 998 OE1 GLU A 68 -5.094 -1.904 -10.858 1.00 0.00 O ATOM 999 OE2 GLU A 68 -2.939 -1.481 -10.764 1.00 0.00 O ATOM 0 H GLU A 68 -3.614 0.065 -6.104 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.011 -1.490 -6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.078 -1.908 -7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.431 -2.817 -8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.256 -0.361 -8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.537 -0.031 -8.770 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.488 -2.615 -4.966 1.00 0.00 N ATOM 1007 CA LEU A 69 -3.135 -3.575 -3.926 1.00 0.00 C ATOM 1008 C LEU A 69 -4.032 -3.408 -2.704 1.00 0.00 C ATOM 1009 O LEU A 69 -4.173 -4.325 -1.896 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.669 -3.404 -3.524 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.633 -3.892 -4.538 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.707 -4.131 -3.860 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -1.118 -5.159 -5.228 1.00 0.00 C ATOM 0 H LEU A 69 -2.715 -2.025 -5.275 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.281 -4.578 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.487 -2.347 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.506 -3.933 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.501 -3.118 -5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.431 -4.478 -4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.060 -3.201 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.592 -4.886 -3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.369 -5.492 -5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.280 -5.939 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.054 -4.954 -5.749 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.637 -2.231 -2.577 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.522 -1.945 -1.454 1.00 0.00 C ATOM 1027 C ASN A 70 -6.640 -2.979 -1.365 1.00 0.00 C ATOM 1028 O ASN A 70 -7.476 -3.084 -2.261 1.00 0.00 O ATOM 1029 CB ASN A 70 -6.119 -0.543 -1.593 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.491 -0.433 -0.956 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -7.771 -1.073 0.057 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -8.355 0.382 -1.550 1.00 0.00 N ATOM 0 H ASN A 70 -4.530 -1.461 -3.237 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.933 -1.993 -0.538 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.448 0.182 -1.132 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.190 -0.284 -2.650 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.294 0.497 -1.168 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.080 0.893 -2.389 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.649 -3.741 -0.275 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.669 -4.757 -0.088 1.00 0.00 C ATOM 1041 C GLY A 71 -7.710 -5.754 -1.229 1.00 0.00 C ATOM 1042 O GLY A 71 -8.736 -6.389 -1.472 1.00 0.00 O ATOM 0 H GLY A 71 -5.968 -3.673 0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.483 -5.286 0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.643 -4.277 0.006 1.00 0.00 H new ATOM 1046 N THR A 72 -6.590 -5.892 -1.933 1.00 0.00 N ATOM 1047 CA THR A 72 -6.503 -6.816 -3.056 1.00 0.00 C ATOM 1048 C THR A 72 -6.217 -8.236 -2.579 1.00 0.00 C ATOM 1049 O THR A 72 -5.637 -8.436 -1.512 1.00 0.00 O ATOM 1050 CB THR A 72 -5.406 -6.390 -4.050 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.710 -6.888 -5.358 1.00 0.00 O ATOM 1052 CG2 THR A 72 -4.045 -6.908 -3.609 1.00 0.00 C ATOM 0 H THR A 72 -5.731 -5.375 -1.745 1.00 0.00 H new ATOM 0 HA THR A 72 -7.469 -6.793 -3.560 1.00 0.00 H new ATOM 0 HB THR A 72 -5.372 -5.301 -4.075 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.009 -6.612 -5.984 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.287 -6.595 -4.326 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.803 -6.504 -2.626 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.069 -7.997 -3.559 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.627 -9.217 -3.376 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.414 -10.618 -3.034 1.00 0.00 C ATOM 1062 C GLN A 73 -5.469 -11.284 -4.029 1.00 0.00 C ATOM 1063 O GLN A 73 -5.890 -11.743 -5.090 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.748 -11.366 -3.002 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.671 -12.719 -2.315 1.00 0.00 C ATOM 1066 CD GLN A 73 -9.038 -13.301 -2.015 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -10.035 -12.579 -1.964 1.00 0.00 O ATOM 1068 NE2 GLN A 73 -9.093 -14.612 -1.814 1.00 0.00 N ATOM 0 H GLN A 73 -7.108 -9.068 -4.263 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.959 -10.658 -2.045 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.488 -10.750 -2.491 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.101 -11.506 -4.024 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.116 -13.412 -2.948 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.111 -12.618 -1.385 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.242 -15.172 -1.866 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.986 -15.059 -1.608 1.00 0.00 H new ATOM 1077 N VAL A 74 -4.187 -11.332 -3.678 1.00 0.00 N ATOM 1078 CA VAL A 74 -3.182 -11.943 -4.540 1.00 0.00 C ATOM 1079 C VAL A 74 -2.562 -13.169 -3.878 1.00 0.00 C ATOM 1080 O VAL A 74 -2.364 -13.197 -2.664 1.00 0.00 O ATOM 1081 CB VAL A 74 -2.064 -10.943 -4.893 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.655 -9.599 -5.288 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -1.100 -10.789 -3.726 1.00 0.00 C ATOM 0 H VAL A 74 -3.821 -10.955 -2.804 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.691 -12.246 -5.455 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.507 -11.332 -5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.850 -8.906 -5.534 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.302 -9.727 -6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.237 -9.199 -4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.317 -10.079 -3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.641 -10.422 -2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.651 -11.755 -3.495 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.258 -14.180 -4.685 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.661 -15.409 -4.177 1.00 0.00 C ATOM 1095 C GLU A 75 -2.502 -15.996 -3.047 1.00 0.00 C ATOM 1096 O GLU A 75 -1.968 -16.542 -2.081 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.237 -15.145 -3.684 1.00 0.00 C ATOM 1098 CG GLU A 75 0.699 -14.638 -4.768 1.00 0.00 C ATOM 1099 CD GLU A 75 1.066 -15.714 -5.772 1.00 0.00 C ATOM 1100 OE1 GLU A 75 0.172 -16.153 -6.525 1.00 0.00 O ATOM 1101 OE2 GLU A 75 2.248 -16.117 -5.804 1.00 0.00 O ATOM 0 H GLU A 75 -2.415 -14.172 -5.693 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.627 -16.130 -4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.271 -14.415 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.170 -16.066 -3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.227 -13.805 -5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.608 -14.252 -4.307 1.00 0.00 H new ATOM 1108 N SER A 76 -3.819 -15.878 -3.175 1.00 0.00 N ATOM 1109 CA SER A 76 -4.735 -16.392 -2.163 1.00 0.00 C ATOM 1110 C SER A 76 -4.508 -15.699 -0.823 1.00 0.00 C ATOM 1111 O SER A 76 -4.755 -16.275 0.236 1.00 0.00 O ATOM 1112 CB SER A 76 -4.557 -17.903 -2.006 1.00 0.00 C ATOM 1113 OG SER A 76 -5.184 -18.604 -3.066 1.00 0.00 O ATOM 0 H SER A 76 -4.276 -15.431 -3.970 1.00 0.00 H new ATOM 0 HA SER A 76 -5.754 -16.185 -2.491 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.495 -18.147 -1.983 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.978 -18.225 -1.054 1.00 0.00 H new ATOM 0 HG SER A 76 -5.054 -19.568 -2.943 1.00 0.00 H new ATOM 1119 N VAL A 77 -4.035 -14.458 -0.878 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.775 -13.685 0.330 1.00 0.00 C ATOM 1121 C VAL A 77 -4.240 -12.242 0.170 1.00 0.00 C ATOM 1122 O VAL A 77 -3.868 -11.563 -0.787 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.278 -13.693 0.691 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -2.022 -12.845 1.927 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -1.789 -15.118 0.900 1.00 0.00 C ATOM 0 H VAL A 77 -3.824 -13.967 -1.747 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.338 -14.158 1.135 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.719 -13.260 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.959 -12.863 2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.333 -11.818 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.590 -13.245 2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.729 -15.105 1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.351 -15.580 1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.936 -15.691 -0.016 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.055 -11.780 1.113 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.571 -10.416 1.075 1.00 0.00 C ATOM 1137 C GLN A 78 -4.534 -9.428 1.598 1.00 0.00 C ATOM 1138 O GLN A 78 -4.293 -9.344 2.804 1.00 0.00 O ATOM 1139 CB GLN A 78 -6.855 -10.312 1.900 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.116 -10.604 1.103 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.219 -11.202 1.954 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -9.492 -12.400 1.885 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -9.861 -10.367 2.763 1.00 0.00 N ATOM 0 H GLN A 78 -5.372 -12.329 1.912 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.793 -10.166 0.038 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.796 -11.007 2.738 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.926 -9.309 2.322 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.474 -9.681 0.646 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.877 -11.290 0.290 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.602 -9.381 2.788 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.613 -10.712 3.359 1.00 0.00 H new ATOM 1152 N LEU A 79 -3.923 -8.680 0.686 1.00 0.00 N ATOM 1153 CA LEU A 79 -2.912 -7.697 1.055 1.00 0.00 C ATOM 1154 C LEU A 79 -3.527 -6.307 1.190 1.00 0.00 C ATOM 1155 O LEU A 79 -4.398 -5.923 0.410 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.792 -7.672 0.013 1.00 0.00 C ATOM 1157 CG LEU A 79 -0.859 -8.883 0.001 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.253 -8.690 -1.018 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -0.280 -9.124 1.387 1.00 0.00 C ATOM 0 H LEU A 79 -4.111 -8.736 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.496 -7.986 2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.244 -7.577 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.191 -6.777 0.176 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.438 -9.761 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.907 -9.562 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.180 -8.568 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.830 -7.802 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.382 -9.990 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.284 -8.246 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.090 -9.309 2.093 1.00 0.00 H new ATOM 1171 N LYS A 80 -3.066 -5.556 2.185 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.568 -4.208 2.422 1.00 0.00 C ATOM 1173 C LYS A 80 -2.434 -3.189 2.368 1.00 0.00 C ATOM 1174 O LYS A 80 -1.545 -3.188 3.220 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.270 -4.134 3.779 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.392 -3.111 3.829 1.00 0.00 C ATOM 1177 CD LYS A 80 -6.385 -3.426 4.935 1.00 0.00 C ATOM 1178 CE LYS A 80 -7.504 -4.329 4.439 1.00 0.00 C ATOM 1179 NZ LYS A 80 -7.074 -5.752 4.361 1.00 0.00 N ATOM 0 H LYS A 80 -2.345 -5.859 2.840 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.285 -3.970 1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.674 -5.116 4.023 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.535 -3.892 4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.973 -2.117 3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.909 -3.090 2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.867 -3.909 5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.808 -2.498 5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.362 -4.245 5.106 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.832 -3.994 3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.906 -6.371 4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.601 -5.922 3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.414 -5.958 5.138 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.472 -2.321 1.362 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.449 -1.294 1.200 1.00 0.00 C ATOM 1195 C VAL A 81 -2.007 0.091 1.505 1.00 0.00 C ATOM 1196 O VAL A 81 -3.169 0.380 1.222 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.871 -1.299 -0.228 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.397 -0.463 -0.294 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.605 -2.724 -0.690 1.00 0.00 C ATOM 0 H VAL A 81 -3.200 -2.308 0.647 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.653 -1.526 1.908 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.605 -0.855 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.791 -0.479 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.171 0.564 -0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.140 -0.874 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.197 -2.709 -1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.110 -3.197 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.537 -3.289 -0.684 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.170 0.945 2.085 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.580 2.302 2.430 1.00 0.00 C ATOM 1211 C ASN A 82 -0.404 3.269 2.326 1.00 0.00 C ATOM 1212 O ASN A 82 0.756 2.861 2.401 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.160 2.338 3.845 1.00 0.00 C ATOM 1214 CG ASN A 82 -3.561 1.762 3.911 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -3.803 0.763 4.588 1.00 0.00 O ATOM 1216 ND2 ASN A 82 -4.493 2.392 3.204 1.00 0.00 N ATOM 0 H ASN A 82 -0.204 0.722 2.326 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.348 2.614 1.722 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.508 1.779 4.516 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -2.176 3.368 4.202 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.454 2.051 3.208 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.247 3.217 2.657 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.712 4.549 2.152 1.00 0.00 N ATOM 1224 CA ILE A 83 0.319 5.574 2.039 1.00 0.00 C ATOM 1225 C ILE A 83 0.901 5.921 3.405 1.00 0.00 C ATOM 1226 O ILE A 83 0.355 6.753 4.130 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.230 6.856 1.387 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -1.110 6.506 0.184 1.00 0.00 C ATOM 1229 CG2 ILE A 83 0.913 7.768 0.966 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -0.343 5.895 -0.968 1.00 0.00 C ATOM 0 H ILE A 83 -1.667 4.902 2.086 1.00 0.00 H new ATOM 0 HA ILE A 83 1.105 5.162 1.406 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.840 7.385 2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.887 5.811 0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.613 7.409 -0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.509 8.670 0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.503 8.040 1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.547 7.248 0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.030 5.673 -1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.416 6.597 -1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.138 4.974 -0.637 1.00 0.00 H new ATOM 1242 N ALA A 84 2.013 5.280 3.750 1.00 0.00 N ATOM 1243 CA ALA A 84 2.671 5.524 5.027 1.00 0.00 C ATOM 1244 C ALA A 84 2.671 7.010 5.370 1.00 0.00 C ATOM 1245 O ALA A 84 3.211 7.828 4.625 1.00 0.00 O ATOM 1246 CB ALA A 84 4.094 4.987 4.998 1.00 0.00 C ATOM 0 H ALA A 84 2.477 4.587 3.162 1.00 0.00 H new ATOM 0 HA ALA A 84 2.112 4.999 5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.574 5.176 5.958 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.074 3.914 4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.655 5.486 4.208 1.00 0.00 H new