USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=19 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= -1.1 X(o=-2,f=-1.6) 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= -0.931 USER MOD Set 2.1: A 19 TYR OH : rot 29:sc= 0.699 USER MOD Set 2.2: A 51 CYS SG : rot 53:sc= 1.01 USER MOD Set 3.1: A 25 MET CE :methyl 174:sc= -0.577 (180deg=-0.59) USER MOD Set 3.2: A 45 MET CE :methyl -154:sc= -4.77! (180deg=-6.02!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.265 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= -0.0246 X(o=-0.025,f=-0.051) 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) USER MOD Single : A 56 TYR OH : rot 141:sc= -0.278 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -140:sc= 0 (180deg=-0.0269) USER MOD Single : A 61 SER OG : rot -99:sc= 0.0837 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.166 K(o=-0.17,f=-0.67) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 76 SER OG : rot -54:sc= 0.069 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 80 LYS NZ :NH3+ 133:sc= -0.164 (180deg=-0.691) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.703 F(o=-1.8,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 206 N ASN A 16 6.711 7.508 -1.419 1.00 0.00 N ATOM 207 CA ASN A 16 7.585 6.483 -1.980 1.00 0.00 C ATOM 208 C ASN A 16 7.345 5.136 -1.307 1.00 0.00 C ATOM 209 O ASN A 16 7.209 4.110 -1.975 1.00 0.00 O ATOM 210 CB ASN A 16 9.051 6.891 -1.823 1.00 0.00 C ATOM 211 CG ASN A 16 9.441 7.097 -0.372 1.00 0.00 C ATOM 212 OD1 ASN A 16 8.806 7.866 0.350 1.00 0.00 O ATOM 213 ND2 ASN A 16 10.490 6.409 0.062 1.00 0.00 N ATOM 0 HA ASN A 16 7.354 6.385 -3.041 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.688 6.123 -2.262 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.231 7.811 -2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.799 6.507 1.029 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.987 5.783 -0.572 1.00 0.00 H new ATOM 220 N THR A 17 7.293 5.145 0.022 1.00 0.00 N ATOM 221 CA THR A 17 7.070 3.925 0.786 1.00 0.00 C ATOM 222 C THR A 17 5.582 3.619 0.913 1.00 0.00 C ATOM 223 O THR A 17 4.747 4.523 0.876 1.00 0.00 O ATOM 224 CB THR A 17 7.683 4.025 2.196 1.00 0.00 C ATOM 225 OG1 THR A 17 8.961 4.667 2.130 1.00 0.00 O ATOM 226 CG2 THR A 17 7.835 2.646 2.820 1.00 0.00 C ATOM 0 H THR A 17 7.402 5.985 0.591 1.00 0.00 H new ATOM 0 HA THR A 17 7.559 3.118 0.241 1.00 0.00 H new ATOM 0 HB THR A 17 7.011 4.616 2.819 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.343 4.728 3.030 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.270 2.743 3.815 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.857 2.171 2.896 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.488 2.035 2.197 1.00 0.00 H new ATOM 234 N LEU A 18 5.256 2.340 1.062 1.00 0.00 N ATOM 235 CA LEU A 18 3.867 1.914 1.195 1.00 0.00 C ATOM 236 C LEU A 18 3.716 0.890 2.315 1.00 0.00 C ATOM 237 O LEU A 18 4.417 -0.122 2.342 1.00 0.00 O ATOM 238 CB LEU A 18 3.366 1.323 -0.124 1.00 0.00 C ATOM 239 CG LEU A 18 3.759 2.083 -1.392 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.531 1.219 -2.623 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.977 3.384 -1.498 1.00 0.00 C ATOM 0 H LEU A 18 5.935 1.579 1.094 1.00 0.00 H new ATOM 0 HA LEU A 18 3.267 2.789 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.738 0.302 -0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.278 1.263 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 18 4.820 2.325 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.816 1.775 -3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.136 0.315 -2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.478 0.946 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.270 3.911 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.910 3.165 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.191 4.009 -0.631 1.00 0.00 H new ATOM 253 N TYR A 19 2.797 1.158 3.235 1.00 0.00 N ATOM 254 CA TYR A 19 2.553 0.259 4.357 1.00 0.00 C ATOM 255 C TYR A 19 1.637 -0.889 3.947 1.00 0.00 C ATOM 256 O TYR A 19 0.439 -0.699 3.737 1.00 0.00 O ATOM 257 CB TYR A 19 1.935 1.026 5.527 1.00 0.00 C ATOM 258 CG TYR A 19 1.950 0.259 6.830 1.00 0.00 C ATOM 259 CD1 TYR A 19 1.158 -0.869 7.003 1.00 0.00 C ATOM 260 CD2 TYR A 19 2.757 0.661 7.887 1.00 0.00 C ATOM 261 CE1 TYR A 19 1.167 -1.573 8.192 1.00 0.00 C ATOM 262 CE2 TYR A 19 2.774 -0.037 9.079 1.00 0.00 C ATOM 263 CZ TYR A 19 1.977 -1.153 9.227 1.00 0.00 C ATOM 264 OH TYR A 19 1.991 -1.852 10.412 1.00 0.00 O ATOM 0 H TYR A 19 2.208 1.991 3.226 1.00 0.00 H new ATOM 0 HA TYR A 19 3.510 -0.158 4.669 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.474 1.964 5.661 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.905 1.283 5.278 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.524 -1.202 6.194 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.382 1.535 7.775 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.544 -2.447 8.310 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.408 0.289 9.890 1.00 0.00 H new ATOM 0 HH TYR A 19 1.783 -2.794 10.239 1.00 0.00 H new ATOM 274 N VAL A 20 2.210 -2.084 3.834 1.00 0.00 N ATOM 275 CA VAL A 20 1.446 -3.265 3.451 1.00 0.00 C ATOM 276 C VAL A 20 1.167 -4.154 4.657 1.00 0.00 C ATOM 277 O VAL A 20 1.957 -4.205 5.600 1.00 0.00 O ATOM 278 CB VAL A 20 2.186 -4.089 2.380 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.250 -5.106 1.747 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.785 -3.172 1.323 1.00 0.00 C ATOM 0 H VAL A 20 3.201 -2.259 4.002 1.00 0.00 H new ATOM 0 HA VAL A 20 0.501 -2.911 3.038 1.00 0.00 H new ATOM 0 HB VAL A 20 3.000 -4.631 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.791 -5.678 0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.874 -5.782 2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.413 -4.588 1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.304 -3.770 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.990 -2.601 0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.491 -2.487 1.793 1.00 0.00 H new ATOM 290 N TYR A 21 0.039 -4.854 4.620 1.00 0.00 N ATOM 291 CA TYR A 21 -0.347 -5.741 5.712 1.00 0.00 C ATOM 292 C TYR A 21 -0.798 -7.097 5.178 1.00 0.00 C ATOM 293 O TYR A 21 -1.348 -7.194 4.083 1.00 0.00 O ATOM 294 CB TYR A 21 -1.466 -5.108 6.540 1.00 0.00 C ATOM 295 CG TYR A 21 -2.076 -6.050 7.554 1.00 0.00 C ATOM 296 CD1 TYR A 21 -1.273 -6.840 8.368 1.00 0.00 C ATOM 297 CD2 TYR A 21 -3.454 -6.149 7.698 1.00 0.00 C ATOM 298 CE1 TYR A 21 -1.826 -7.702 9.295 1.00 0.00 C ATOM 299 CE2 TYR A 21 -4.016 -7.007 8.623 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.198 -7.782 9.419 1.00 0.00 C ATOM 301 OH TYR A 21 -3.752 -8.639 10.342 1.00 0.00 O ATOM 0 H TYR A 21 -0.625 -4.825 3.846 1.00 0.00 H new ATOM 0 HA TYR A 21 0.525 -5.893 6.349 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.073 -4.234 7.059 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.248 -4.755 5.868 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.199 -6.779 8.274 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.097 -5.544 7.076 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.188 -8.310 9.919 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.090 -7.071 8.723 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.729 -8.574 10.303 1.00 0.00 H new ATOM 311 N GLY A 22 -0.560 -8.144 5.964 1.00 0.00 N ATOM 312 CA GLY A 22 -0.949 -9.481 5.555 1.00 0.00 C ATOM 313 C GLY A 22 -0.867 -10.481 6.691 1.00 0.00 C ATOM 314 O GLY A 22 -0.460 -10.137 7.801 1.00 0.00 O ATOM 0 H GLY A 22 -0.105 -8.090 6.875 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.968 -9.457 5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.306 -9.810 4.739 1.00 0.00 H new ATOM 318 N GLU A 23 -1.257 -11.722 6.415 1.00 0.00 N ATOM 319 CA GLU A 23 -1.228 -12.773 7.424 1.00 0.00 C ATOM 320 C GLU A 23 -0.559 -14.032 6.880 1.00 0.00 C ATOM 321 O GLU A 23 0.123 -14.752 7.610 1.00 0.00 O ATOM 322 CB GLU A 23 -2.647 -13.099 7.894 1.00 0.00 C ATOM 323 CG GLU A 23 -3.376 -11.911 8.498 1.00 0.00 C ATOM 324 CD GLU A 23 -4.537 -12.326 9.382 1.00 0.00 C ATOM 325 OE1 GLU A 23 -4.346 -13.223 10.229 1.00 0.00 O ATOM 326 OE2 GLU A 23 -5.635 -11.753 9.225 1.00 0.00 O ATOM 0 H GLU A 23 -1.596 -12.023 5.501 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.646 -12.411 8.272 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.223 -13.477 7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.601 -13.900 8.632 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.673 -11.317 9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.745 -11.270 7.697 1.00 0.00 H new ATOM 333 N ASP A 24 -0.759 -14.291 5.592 1.00 0.00 N ATOM 334 CA ASP A 24 -0.175 -15.462 4.948 1.00 0.00 C ATOM 335 C ASP A 24 0.624 -15.061 3.712 1.00 0.00 C ATOM 336 O ASP A 24 0.566 -15.730 2.681 1.00 0.00 O ATOM 337 CB ASP A 24 -1.270 -16.457 4.562 1.00 0.00 C ATOM 338 CG ASP A 24 -1.652 -17.372 5.710 1.00 0.00 C ATOM 339 OD1 ASP A 24 -0.776 -17.671 6.547 1.00 0.00 O ATOM 340 OD2 ASP A 24 -2.828 -17.787 5.771 1.00 0.00 O ATOM 0 H ASP A 24 -1.321 -13.706 4.974 1.00 0.00 H new ATOM 0 HA ASP A 24 0.503 -15.936 5.658 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.152 -15.911 4.228 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.929 -17.059 3.719 1.00 0.00 H new ATOM 345 N MET A 25 1.367 -13.965 3.824 1.00 0.00 N ATOM 346 CA MET A 25 2.177 -13.475 2.715 1.00 0.00 C ATOM 347 C MET A 25 3.659 -13.492 3.076 1.00 0.00 C ATOM 348 O MET A 25 4.025 -13.416 4.249 1.00 0.00 O ATOM 349 CB MET A 25 1.750 -12.057 2.331 1.00 0.00 C ATOM 350 CG MET A 25 1.190 -11.255 3.494 1.00 0.00 C ATOM 351 SD MET A 25 2.406 -10.980 4.797 1.00 0.00 S ATOM 352 CE MET A 25 2.600 -9.202 4.709 1.00 0.00 C ATOM 0 H MET A 25 1.425 -13.400 4.671 1.00 0.00 H new ATOM 0 HA MET A 25 2.021 -14.137 1.863 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.608 -11.528 1.915 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.998 -12.113 1.544 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.832 -10.293 3.128 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.329 -11.778 3.910 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.241 -8.865 5.524 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.054 -8.932 3.755 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.624 -8.725 4.794 1.00 0.00 H new ATOM 362 N THR A 26 4.510 -13.593 2.059 1.00 0.00 N ATOM 363 CA THR A 26 5.952 -13.621 2.269 1.00 0.00 C ATOM 364 C THR A 26 6.646 -12.527 1.466 1.00 0.00 C ATOM 365 O THR A 26 6.125 -12.032 0.466 1.00 0.00 O ATOM 366 CB THR A 26 6.550 -14.986 1.880 1.00 0.00 C ATOM 367 OG1 THR A 26 6.025 -15.408 0.616 1.00 0.00 O ATOM 368 CG2 THR A 26 6.241 -16.034 2.938 1.00 0.00 C ATOM 0 H THR A 26 4.225 -13.657 1.082 1.00 0.00 H new ATOM 0 HA THR A 26 6.120 -13.449 3.332 1.00 0.00 H new ATOM 0 HB THR A 26 7.632 -14.876 1.806 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.411 -16.276 0.375 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.674 -16.989 2.641 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.667 -15.724 3.892 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.161 -16.141 3.040 1.00 0.00 H new ATOM 376 N PRO A 27 7.851 -12.140 1.910 1.00 0.00 N ATOM 377 CA PRO A 27 8.644 -11.101 1.245 1.00 0.00 C ATOM 378 C PRO A 27 8.732 -11.315 -0.262 1.00 0.00 C ATOM 379 O PRO A 27 8.267 -10.486 -1.046 1.00 0.00 O ATOM 380 CB PRO A 27 10.026 -11.244 1.887 1.00 0.00 C ATOM 381 CG PRO A 27 9.762 -11.840 3.226 1.00 0.00 C ATOM 382 CD PRO A 27 8.533 -12.687 3.095 1.00 0.00 C ATOM 0 HA PRO A 27 8.203 -10.112 1.366 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.675 -11.884 1.290 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.524 -10.278 1.975 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.610 -12.440 3.555 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.615 -11.060 3.973 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.785 -13.739 2.961 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.905 -12.620 3.984 1.00 0.00 H new ATOM 390 N THR A 28 9.331 -12.432 -0.663 1.00 0.00 N ATOM 391 CA THR A 28 9.480 -12.754 -2.077 1.00 0.00 C ATOM 392 C THR A 28 8.156 -12.607 -2.817 1.00 0.00 C ATOM 393 O THR A 28 8.127 -12.231 -3.990 1.00 0.00 O ATOM 394 CB THR A 28 10.009 -14.187 -2.274 1.00 0.00 C ATOM 395 OG1 THR A 28 11.254 -14.349 -1.585 1.00 0.00 O ATOM 396 CG2 THR A 28 10.196 -14.497 -3.751 1.00 0.00 C ATOM 0 H THR A 28 9.721 -13.129 -0.028 1.00 0.00 H new ATOM 0 HA THR A 28 10.202 -12.048 -2.487 1.00 0.00 H new ATOM 0 HB THR A 28 9.275 -14.881 -1.864 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.583 -15.263 -1.714 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.570 -15.514 -3.865 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.240 -14.402 -4.267 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.912 -13.797 -4.182 1.00 0.00 H new ATOM 404 N LEU A 29 7.061 -12.904 -2.127 1.00 0.00 N ATOM 405 CA LEU A 29 5.732 -12.804 -2.719 1.00 0.00 C ATOM 406 C LEU A 29 5.423 -11.366 -3.125 1.00 0.00 C ATOM 407 O LEU A 29 4.954 -11.110 -4.235 1.00 0.00 O ATOM 408 CB LEU A 29 4.674 -13.306 -1.735 1.00 0.00 C ATOM 409 CG LEU A 29 3.329 -13.706 -2.342 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.548 -14.585 -1.377 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.522 -12.470 -2.711 1.00 0.00 C ATOM 0 H LEU A 29 7.067 -13.216 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 29 5.712 -13.427 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.080 -14.166 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.498 -12.527 -0.993 1.00 0.00 H new ATOM 0 HG LEU A 29 3.518 -14.277 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.594 -14.860 -1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.121 -15.487 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.369 -14.039 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.568 -12.774 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.343 -11.872 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.076 -11.877 -3.439 1.00 0.00 H new ATOM 423 N LEU A 30 5.692 -10.431 -2.220 1.00 0.00 N ATOM 424 CA LEU A 30 5.446 -9.018 -2.485 1.00 0.00 C ATOM 425 C LEU A 30 6.330 -8.514 -3.621 1.00 0.00 C ATOM 426 O LEU A 30 5.938 -7.627 -4.379 1.00 0.00 O ATOM 427 CB LEU A 30 5.698 -8.191 -1.222 1.00 0.00 C ATOM 428 CG LEU A 30 5.096 -8.741 0.071 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.156 -7.696 1.174 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.662 -9.195 -0.159 1.00 0.00 C ATOM 0 H LEU A 30 6.080 -10.626 -1.297 1.00 0.00 H new ATOM 0 HA LEU A 30 4.404 -8.906 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.775 -8.093 -1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.305 -7.188 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 30 5.683 -9.604 0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.723 -8.105 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.194 -7.419 1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.594 -6.813 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.250 -9.584 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.062 -8.350 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.645 -9.978 -0.918 1.00 0.00 H new ATOM 442 N ARG A 31 7.524 -9.087 -3.734 1.00 0.00 N ATOM 443 CA ARG A 31 8.463 -8.697 -4.778 1.00 0.00 C ATOM 444 C ARG A 31 7.825 -8.824 -6.158 1.00 0.00 C ATOM 445 O ARG A 31 7.891 -7.903 -6.971 1.00 0.00 O ATOM 446 CB ARG A 31 9.725 -9.559 -4.707 1.00 0.00 C ATOM 447 CG ARG A 31 10.459 -9.455 -3.380 1.00 0.00 C ATOM 448 CD ARG A 31 11.455 -8.306 -3.383 1.00 0.00 C ATOM 449 NE ARG A 31 12.327 -8.340 -4.554 1.00 0.00 N ATOM 450 CZ ARG A 31 13.314 -9.215 -4.711 1.00 0.00 C ATOM 451 NH1 ARG A 31 13.553 -10.124 -3.776 1.00 0.00 N ATOM 452 NH2 ARG A 31 14.063 -9.182 -5.805 1.00 0.00 N ATOM 0 H ARG A 31 7.864 -9.823 -3.115 1.00 0.00 H new ATOM 0 HA ARG A 31 8.734 -7.654 -4.616 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.454 -10.600 -4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.401 -9.266 -5.510 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.739 -9.311 -2.575 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.981 -10.390 -3.177 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.916 -7.359 -3.360 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.061 -8.350 -2.478 1.00 0.00 H new ATOM 0 HE ARG A 31 12.169 -7.654 -5.292 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.978 -10.153 -2.934 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.311 -10.795 -3.899 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.881 -8.484 -6.527 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.821 -9.854 -5.925 1.00 0.00 H new ATOM 466 N GLY A 32 7.207 -9.973 -6.416 1.00 0.00 N ATOM 467 CA GLY A 32 6.567 -10.200 -7.698 1.00 0.00 C ATOM 468 C GLY A 32 5.167 -9.622 -7.758 1.00 0.00 C ATOM 469 O GLY A 32 4.577 -9.515 -8.832 1.00 0.00 O ATOM 0 H GLY A 32 7.138 -10.751 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.174 -9.756 -8.487 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.523 -11.271 -7.894 1.00 0.00 H new ATOM 473 N ALA A 33 4.633 -9.248 -6.599 1.00 0.00 N ATOM 474 CA ALA A 33 3.294 -8.678 -6.524 1.00 0.00 C ATOM 475 C ALA A 33 3.330 -7.165 -6.714 1.00 0.00 C ATOM 476 O ALA A 33 2.382 -6.571 -7.227 1.00 0.00 O ATOM 477 CB ALA A 33 2.644 -9.029 -5.194 1.00 0.00 C ATOM 0 H ALA A 33 5.108 -9.330 -5.700 1.00 0.00 H new ATOM 0 HA ALA A 33 2.699 -9.106 -7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.644 -8.597 -5.152 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.575 -10.113 -5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.246 -8.630 -4.378 1.00 0.00 H new ATOM 483 N PHE A 34 4.430 -6.547 -6.296 1.00 0.00 N ATOM 484 CA PHE A 34 4.589 -5.103 -6.419 1.00 0.00 C ATOM 485 C PHE A 34 5.382 -4.748 -7.673 1.00 0.00 C ATOM 486 O PHE A 34 5.417 -3.590 -8.091 1.00 0.00 O ATOM 487 CB PHE A 34 5.291 -4.539 -5.182 1.00 0.00 C ATOM 488 CG PHE A 34 4.395 -4.434 -3.981 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.874 -5.572 -3.386 1.00 0.00 C ATOM 490 CD2 PHE A 34 4.075 -3.196 -3.445 1.00 0.00 C ATOM 491 CE1 PHE A 34 3.049 -5.477 -2.282 1.00 0.00 C ATOM 492 CE2 PHE A 34 3.250 -3.096 -2.340 1.00 0.00 C ATOM 493 CZ PHE A 34 2.738 -4.238 -1.757 1.00 0.00 C ATOM 0 H PHE A 34 5.224 -7.024 -5.869 1.00 0.00 H new ATOM 0 HA PHE A 34 3.597 -4.659 -6.500 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.142 -5.174 -4.936 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.687 -3.551 -5.417 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.116 -6.544 -3.790 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.475 -2.300 -3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.647 -6.372 -1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.006 -2.126 -1.933 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.096 -4.163 -0.892 1.00 0.00 H new ATOM 503 N SER A 35 6.017 -5.752 -8.269 1.00 0.00 N ATOM 504 CA SER A 35 6.814 -5.546 -9.473 1.00 0.00 C ATOM 505 C SER A 35 5.969 -4.929 -10.584 1.00 0.00 C ATOM 506 O SER A 35 6.377 -3.982 -11.256 1.00 0.00 O ATOM 507 CB SER A 35 7.411 -6.872 -9.948 1.00 0.00 C ATOM 508 OG SER A 35 8.674 -6.672 -10.560 1.00 0.00 O ATOM 0 H SER A 35 5.995 -6.716 -7.938 1.00 0.00 H new ATOM 0 HA SER A 35 7.623 -4.858 -9.230 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.517 -7.551 -9.102 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.732 -7.348 -10.655 1.00 0.00 H new ATOM 0 HG SER A 35 9.036 -7.534 -10.853 1.00 0.00 H new ATOM 514 N PRO A 36 4.762 -5.478 -10.783 1.00 0.00 N ATOM 515 CA PRO A 36 3.833 -4.999 -11.810 1.00 0.00 C ATOM 516 C PRO A 36 3.674 -3.483 -11.786 1.00 0.00 C ATOM 517 O PRO A 36 3.817 -2.817 -12.812 1.00 0.00 O ATOM 518 CB PRO A 36 2.513 -5.681 -11.442 1.00 0.00 C ATOM 519 CG PRO A 36 2.916 -6.914 -10.709 1.00 0.00 C ATOM 520 CD PRO A 36 4.210 -6.610 -10.019 1.00 0.00 C ATOM 0 HA PRO A 36 4.183 -5.232 -12.816 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.894 -5.035 -10.820 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.930 -5.921 -12.331 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.152 -7.200 -9.987 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.033 -7.751 -11.397 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.053 -6.347 -8.973 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.882 -7.468 -10.034 1.00 0.00 H new ATOM 528 N PHE A 37 3.378 -2.942 -10.609 1.00 0.00 N ATOM 529 CA PHE A 37 3.199 -1.504 -10.451 1.00 0.00 C ATOM 530 C PHE A 37 4.481 -0.754 -10.801 1.00 0.00 C ATOM 531 O PHE A 37 4.443 0.313 -11.411 1.00 0.00 O ATOM 532 CB PHE A 37 2.778 -1.175 -9.017 1.00 0.00 C ATOM 533 CG PHE A 37 1.442 -1.748 -8.638 1.00 0.00 C ATOM 534 CD1 PHE A 37 0.275 -1.044 -8.889 1.00 0.00 C ATOM 535 CD2 PHE A 37 1.354 -2.991 -8.032 1.00 0.00 C ATOM 536 CE1 PHE A 37 -0.955 -1.569 -8.540 1.00 0.00 C ATOM 537 CE2 PHE A 37 0.126 -3.521 -7.682 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.029 -2.810 -7.937 1.00 0.00 C ATOM 0 H PHE A 37 3.257 -3.479 -9.750 1.00 0.00 H new ATOM 0 HA PHE A 37 2.413 -1.184 -11.136 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.535 -1.552 -8.329 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.748 -0.092 -8.895 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.327 -0.075 -9.362 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.255 -3.552 -7.831 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.857 -1.010 -8.738 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.071 -4.491 -7.209 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.989 -3.223 -7.666 1.00 0.00 H new ATOM 548 N GLY A 38 5.618 -1.323 -10.408 1.00 0.00 N ATOM 549 CA GLY A 38 6.896 -0.695 -10.688 1.00 0.00 C ATOM 550 C GLY A 38 8.062 -1.475 -10.115 1.00 0.00 C ATOM 551 O GLY A 38 7.964 -2.682 -9.899 1.00 0.00 O ATOM 0 H GLY A 38 5.676 -2.206 -9.901 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.022 -0.599 -11.766 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.900 0.314 -10.276 1.00 0.00 H new ATOM 555 N ASN A 39 9.171 -0.784 -9.869 1.00 0.00 N ATOM 556 CA ASN A 39 10.362 -1.421 -9.320 1.00 0.00 C ATOM 557 C ASN A 39 10.431 -1.234 -7.807 1.00 0.00 C ATOM 558 O ASN A 39 10.066 -0.180 -7.285 1.00 0.00 O ATOM 559 CB ASN A 39 11.621 -0.846 -9.973 1.00 0.00 C ATOM 560 CG ASN A 39 12.886 -1.528 -9.491 1.00 0.00 C ATOM 561 OD1 ASN A 39 12.990 -2.755 -9.513 1.00 0.00 O ATOM 562 ND2 ASN A 39 13.856 -0.734 -9.053 1.00 0.00 N ATOM 0 H ASN A 39 9.269 0.217 -10.041 1.00 0.00 H new ATOM 0 HA ASN A 39 10.304 -2.488 -9.535 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.545 -0.950 -11.055 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.683 0.221 -9.759 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.731 -1.136 -8.717 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.726 0.278 -9.053 1.00 0.00 H new ATOM 569 N ILE A 40 10.901 -2.262 -7.110 1.00 0.00 N ATOM 570 CA ILE A 40 11.019 -2.210 -5.658 1.00 0.00 C ATOM 571 C ILE A 40 12.463 -1.968 -5.232 1.00 0.00 C ATOM 572 O ILE A 40 13.318 -2.842 -5.376 1.00 0.00 O ATOM 573 CB ILE A 40 10.514 -3.511 -5.005 1.00 0.00 C ATOM 574 CG1 ILE A 40 9.059 -3.773 -5.399 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.654 -3.433 -3.492 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.586 -5.171 -5.067 1.00 0.00 C ATOM 0 H ILE A 40 11.206 -3.141 -7.527 1.00 0.00 H new ATOM 0 HA ILE A 40 10.399 -1.379 -5.321 1.00 0.00 H new ATOM 0 HB ILE A 40 11.123 -4.341 -5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.418 -3.051 -4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.945 -3.604 -6.470 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.293 -4.359 -3.045 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.702 -3.288 -3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.067 -2.595 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.546 -5.286 -5.374 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.203 -5.899 -5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.668 -5.337 -3.993 1.00 0.00 H new ATOM 588 N ILE A 41 12.727 -0.777 -4.705 1.00 0.00 N ATOM 589 CA ILE A 41 14.067 -0.422 -4.255 1.00 0.00 C ATOM 590 C ILE A 41 14.231 -0.679 -2.761 1.00 0.00 C ATOM 591 O ILE A 41 15.339 -0.915 -2.280 1.00 0.00 O ATOM 592 CB ILE A 41 14.385 1.057 -4.548 1.00 0.00 C ATOM 593 CG1 ILE A 41 13.196 1.942 -4.169 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.743 1.241 -6.015 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.491 3.422 -4.260 1.00 0.00 C ATOM 0 H ILE A 41 12.031 -0.042 -4.579 1.00 0.00 H new ATOM 0 HA ILE A 41 14.764 -1.052 -4.808 1.00 0.00 H new ATOM 0 HB ILE A 41 15.242 1.355 -3.945 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.356 1.707 -4.822 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.886 1.704 -3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 41 14.965 2.291 -6.206 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.617 0.636 -6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.904 0.929 -6.636 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.603 3.988 -3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 41 14.311 3.672 -3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.772 3.675 -5.282 1.00 0.00 H new ATOM 607 N ASP A 42 13.121 -0.634 -2.033 1.00 0.00 N ATOM 608 CA ASP A 42 13.141 -0.866 -0.593 1.00 0.00 C ATOM 609 C ASP A 42 11.951 -1.717 -0.163 1.00 0.00 C ATOM 610 O ASP A 42 10.802 -1.280 -0.238 1.00 0.00 O ATOM 611 CB ASP A 42 13.129 0.466 0.159 1.00 0.00 C ATOM 612 CG ASP A 42 13.781 0.365 1.524 1.00 0.00 C ATOM 613 OD1 ASP A 42 14.938 -0.098 1.596 1.00 0.00 O ATOM 614 OD2 ASP A 42 13.134 0.749 2.521 1.00 0.00 O ATOM 0 H ASP A 42 12.196 -0.439 -2.416 1.00 0.00 H new ATOM 0 HA ASP A 42 14.057 -1.405 -0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.648 1.219 -0.434 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.100 0.805 0.275 1.00 0.00 H new ATOM 619 N LEU A 43 12.233 -2.935 0.285 1.00 0.00 N ATOM 620 CA LEU A 43 11.186 -3.850 0.727 1.00 0.00 C ATOM 621 C LEU A 43 11.599 -4.576 2.003 1.00 0.00 C ATOM 622 O LEU A 43 12.556 -5.351 2.006 1.00 0.00 O ATOM 623 CB LEU A 43 10.872 -4.866 -0.373 1.00 0.00 C ATOM 624 CG LEU A 43 10.125 -6.125 0.070 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.884 -5.756 0.867 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.754 -6.976 -1.136 1.00 0.00 C ATOM 0 H LEU A 43 13.178 -3.312 0.352 1.00 0.00 H new ATOM 0 HA LEU A 43 10.292 -3.264 0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.281 -4.368 -1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.810 -5.169 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 43 10.784 -6.709 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.365 -6.664 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.175 -5.188 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.221 -5.151 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.223 -7.868 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.113 -6.401 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.660 -7.270 -1.666 1.00 0.00 H new ATOM 638 N SER A 44 10.870 -4.321 3.085 1.00 0.00 N ATOM 639 CA SER A 44 11.162 -4.949 4.368 1.00 0.00 C ATOM 640 C SER A 44 9.909 -5.592 4.956 1.00 0.00 C ATOM 641 O SER A 44 8.838 -4.987 4.973 1.00 0.00 O ATOM 642 CB SER A 44 11.727 -3.919 5.348 1.00 0.00 C ATOM 643 OG SER A 44 12.154 -4.538 6.549 1.00 0.00 O ATOM 0 H SER A 44 10.073 -3.684 3.099 1.00 0.00 H new ATOM 0 HA SER A 44 11.906 -5.728 4.202 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.565 -3.396 4.887 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.967 -3.170 5.571 1.00 0.00 H new ATOM 0 HG SER A 44 12.512 -3.859 7.158 1.00 0.00 H new ATOM 649 N MET A 45 10.053 -6.823 5.437 1.00 0.00 N ATOM 650 CA MET A 45 8.934 -7.548 6.026 1.00 0.00 C ATOM 651 C MET A 45 9.137 -7.735 7.526 1.00 0.00 C ATOM 652 O MET A 45 10.231 -8.079 7.976 1.00 0.00 O ATOM 653 CB MET A 45 8.767 -8.909 5.349 1.00 0.00 C ATOM 654 CG MET A 45 7.840 -8.879 4.144 1.00 0.00 C ATOM 655 SD MET A 45 6.112 -9.131 4.590 1.00 0.00 S ATOM 656 CE MET A 45 5.702 -10.546 3.572 1.00 0.00 C ATOM 0 H MET A 45 10.933 -7.338 5.430 1.00 0.00 H new ATOM 0 HA MET A 45 8.030 -6.960 5.870 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.746 -9.272 5.035 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.381 -9.623 6.077 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.944 -7.921 3.635 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.145 -9.650 3.437 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.632 -10.548 3.366 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.252 -10.490 2.633 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.972 -11.462 4.097 1.00 0.00 H new ATOM 666 N ASP A 46 8.079 -7.507 8.296 1.00 0.00 N ATOM 667 CA ASP A 46 8.141 -7.652 9.745 1.00 0.00 C ATOM 668 C ASP A 46 7.151 -8.706 10.230 1.00 0.00 C ATOM 669 O ASP A 46 5.970 -8.432 10.444 1.00 0.00 O ATOM 670 CB ASP A 46 7.853 -6.313 10.426 1.00 0.00 C ATOM 671 CG ASP A 46 9.102 -5.472 10.602 1.00 0.00 C ATOM 672 OD1 ASP A 46 10.207 -6.052 10.636 1.00 0.00 O ATOM 673 OD2 ASP A 46 8.974 -4.234 10.707 1.00 0.00 O ATOM 0 H ASP A 46 7.167 -7.221 7.940 1.00 0.00 H new ATOM 0 HA ASP A 46 9.147 -7.977 10.009 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.125 -5.757 9.835 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.400 -6.495 11.401 1.00 0.00 H new ATOM 678 N PRO A 47 7.641 -9.942 10.406 1.00 0.00 N ATOM 679 CA PRO A 47 6.816 -11.063 10.867 1.00 0.00 C ATOM 680 C PRO A 47 5.973 -10.700 12.085 1.00 0.00 C ATOM 681 O PRO A 47 4.793 -11.037 12.175 1.00 0.00 O ATOM 682 CB PRO A 47 7.845 -12.136 11.229 1.00 0.00 C ATOM 683 CG PRO A 47 9.032 -11.823 10.384 1.00 0.00 C ATOM 684 CD PRO A 47 9.039 -10.340 10.171 1.00 0.00 C ATOM 0 HA PRO A 47 6.099 -11.380 10.110 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.094 -12.104 12.290 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.464 -13.136 11.022 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.950 -12.147 10.874 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.977 -12.349 9.431 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.718 -9.840 10.862 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.364 -10.083 9.163 1.00 0.00 H new ATOM 692 N PRO A 48 6.592 -9.997 13.045 1.00 0.00 N ATOM 693 CA PRO A 48 5.916 -9.573 14.275 1.00 0.00 C ATOM 694 C PRO A 48 4.563 -8.926 14.000 1.00 0.00 C ATOM 695 O PRO A 48 3.523 -9.445 14.404 1.00 0.00 O ATOM 696 CB PRO A 48 6.885 -8.552 14.877 1.00 0.00 C ATOM 697 CG PRO A 48 8.222 -8.940 14.348 1.00 0.00 C ATOM 698 CD PRO A 48 7.998 -9.561 13.004 1.00 0.00 C ATOM 0 HA PRO A 48 5.699 -10.415 14.932 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.623 -7.536 14.582 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.866 -8.583 15.966 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.872 -8.069 14.267 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.714 -9.643 15.020 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.171 -8.846 12.200 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.672 -10.401 12.835 1.00 0.00 H new ATOM 706 N ARG A 49 4.585 -7.790 13.309 1.00 0.00 N ATOM 707 CA ARG A 49 3.359 -7.073 12.981 1.00 0.00 C ATOM 708 C ARG A 49 2.727 -7.630 11.708 1.00 0.00 C ATOM 709 O ARG A 49 1.795 -7.044 11.159 1.00 0.00 O ATOM 710 CB ARG A 49 3.648 -5.580 12.808 1.00 0.00 C ATOM 711 CG ARG A 49 3.723 -4.819 14.121 1.00 0.00 C ATOM 712 CD ARG A 49 4.930 -5.244 14.943 1.00 0.00 C ATOM 713 NE ARG A 49 4.626 -6.374 15.817 1.00 0.00 N ATOM 714 CZ ARG A 49 5.354 -6.698 16.880 1.00 0.00 C ATOM 715 NH1 ARG A 49 6.422 -5.981 17.200 1.00 0.00 N ATOM 716 NH2 ARG A 49 5.013 -7.741 17.626 1.00 0.00 N ATOM 0 H ARG A 49 5.438 -7.347 12.966 1.00 0.00 H new ATOM 0 HA ARG A 49 2.657 -7.208 13.804 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.591 -5.460 12.274 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.870 -5.138 12.185 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.777 -3.749 13.920 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.812 -4.990 14.695 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.748 -5.513 14.274 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.274 -4.402 15.545 1.00 0.00 H new ATOM 0 HE ARG A 49 3.810 -6.946 15.599 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.687 -5.178 16.629 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.979 -6.232 18.017 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.191 -8.295 17.383 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.572 -7.989 18.442 1.00 0.00 H new ATOM 730 N ASN A 50 3.242 -8.764 11.246 1.00 0.00 N ATOM 731 CA ASN A 50 2.729 -9.400 10.038 1.00 0.00 C ATOM 732 C ASN A 50 2.454 -8.364 8.952 1.00 0.00 C ATOM 733 O ASN A 50 1.453 -8.447 8.239 1.00 0.00 O ATOM 734 CB ASN A 50 1.449 -10.179 10.350 1.00 0.00 C ATOM 735 CG ASN A 50 1.663 -11.239 11.414 1.00 0.00 C ATOM 736 OD1 ASN A 50 1.507 -10.977 12.607 1.00 0.00 O ATOM 737 ND2 ASN A 50 2.022 -12.443 10.984 1.00 0.00 N ATOM 0 H ASN A 50 4.014 -9.262 11.689 1.00 0.00 H new ATOM 0 HA ASN A 50 3.488 -10.092 9.672 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.676 -9.485 10.682 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.083 -10.651 9.438 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.180 -13.197 11.652 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.139 -12.614 9.985 1.00 0.00 H new ATOM 744 N CYS A 51 3.349 -7.390 8.832 1.00 0.00 N ATOM 745 CA CYS A 51 3.204 -6.336 7.834 1.00 0.00 C ATOM 746 C CYS A 51 4.463 -6.218 6.982 1.00 0.00 C ATOM 747 O CYS A 51 5.410 -6.987 7.145 1.00 0.00 O ATOM 748 CB CYS A 51 2.905 -4.999 8.513 1.00 0.00 C ATOM 749 SG CYS A 51 1.310 -4.942 9.362 1.00 0.00 S ATOM 0 H CYS A 51 4.183 -7.308 9.413 1.00 0.00 H new ATOM 0 HA CYS A 51 2.370 -6.598 7.183 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.695 -4.785 9.233 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.934 -4.209 7.763 1.00 0.00 H new ATOM 0 HG CYS A 51 1.217 -5.949 10.179 1.00 0.00 H new ATOM 755 N ALA A 52 4.466 -5.250 6.071 1.00 0.00 N ATOM 756 CA ALA A 52 5.609 -5.031 5.193 1.00 0.00 C ATOM 757 C ALA A 52 5.637 -3.596 4.676 1.00 0.00 C ATOM 758 O ALA A 52 4.646 -2.872 4.771 1.00 0.00 O ATOM 759 CB ALA A 52 5.577 -6.011 4.030 1.00 0.00 C ATOM 0 H ALA A 52 3.690 -4.605 5.922 1.00 0.00 H new ATOM 0 HA ALA A 52 6.517 -5.200 5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.436 -5.836 3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.613 -7.031 4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.659 -5.869 3.460 1.00 0.00 H new ATOM 765 N PHE A 53 6.779 -3.191 4.130 1.00 0.00 N ATOM 766 CA PHE A 53 6.936 -1.842 3.600 1.00 0.00 C ATOM 767 C PHE A 53 7.654 -1.866 2.254 1.00 0.00 C ATOM 768 O PHE A 53 8.865 -2.074 2.187 1.00 0.00 O ATOM 769 CB PHE A 53 7.714 -0.970 4.589 1.00 0.00 C ATOM 770 CG PHE A 53 7.333 -1.205 6.023 1.00 0.00 C ATOM 771 CD1 PHE A 53 6.248 -0.550 6.582 1.00 0.00 C ATOM 772 CD2 PHE A 53 8.061 -2.081 6.812 1.00 0.00 C ATOM 773 CE1 PHE A 53 5.895 -0.764 7.901 1.00 0.00 C ATOM 774 CE2 PHE A 53 7.713 -2.299 8.132 1.00 0.00 C ATOM 775 CZ PHE A 53 6.629 -1.639 8.677 1.00 0.00 C ATOM 0 H PHE A 53 7.609 -3.778 4.043 1.00 0.00 H new ATOM 0 HA PHE A 53 5.942 -1.418 3.455 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.780 -1.161 4.469 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.548 0.079 4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.671 0.136 5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.910 -2.599 6.391 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.046 -0.248 8.324 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.288 -2.985 8.736 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.356 -1.807 9.708 1.00 0.00 H new ATOM 785 N VAL A 54 6.896 -1.653 1.183 1.00 0.00 N ATOM 786 CA VAL A 54 7.458 -1.650 -0.163 1.00 0.00 C ATOM 787 C VAL A 54 7.608 -0.229 -0.693 1.00 0.00 C ATOM 788 O VAL A 54 6.712 0.602 -0.537 1.00 0.00 O ATOM 789 CB VAL A 54 6.584 -2.461 -1.138 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.245 -2.544 -2.505 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.313 -3.850 -0.582 1.00 0.00 C ATOM 0 H VAL A 54 5.891 -1.480 1.221 1.00 0.00 H new ATOM 0 HA VAL A 54 8.442 -2.115 -0.096 1.00 0.00 H new ATOM 0 HB VAL A 54 5.629 -1.949 -1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.613 -3.121 -3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.381 -1.539 -2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.215 -3.032 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.694 -4.409 -1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.258 -4.374 -0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.793 -3.765 0.372 1.00 0.00 H new ATOM 801 N THR A 55 8.747 0.046 -1.322 1.00 0.00 N ATOM 802 CA THR A 55 9.015 1.367 -1.875 1.00 0.00 C ATOM 803 C THR A 55 9.148 1.311 -3.392 1.00 0.00 C ATOM 804 O THR A 55 9.656 0.336 -3.945 1.00 0.00 O ATOM 805 CB THR A 55 10.300 1.975 -1.280 1.00 0.00 C ATOM 806 OG1 THR A 55 10.216 1.997 0.149 1.00 0.00 O ATOM 807 CG2 THR A 55 10.523 3.386 -1.803 1.00 0.00 C ATOM 0 H THR A 55 9.499 -0.630 -1.461 1.00 0.00 H new ATOM 0 HA THR A 55 8.167 1.999 -1.611 1.00 0.00 H new ATOM 0 HB THR A 55 11.144 1.355 -1.583 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.958 2.523 0.512 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.436 3.795 -1.369 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.617 3.361 -2.889 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.677 4.015 -1.526 1.00 0.00 H new ATOM 815 N TYR A 56 8.688 2.364 -4.060 1.00 0.00 N ATOM 816 CA TYR A 56 8.754 2.433 -5.515 1.00 0.00 C ATOM 817 C TYR A 56 9.719 3.526 -5.965 1.00 0.00 C ATOM 818 O TYR A 56 9.775 4.602 -5.371 1.00 0.00 O ATOM 819 CB TYR A 56 7.364 2.693 -6.098 1.00 0.00 C ATOM 820 CG TYR A 56 6.466 1.477 -6.088 1.00 0.00 C ATOM 821 CD1 TYR A 56 6.876 0.282 -6.668 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.208 1.522 -5.501 1.00 0.00 C ATOM 823 CE1 TYR A 56 6.059 -0.831 -6.663 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.384 0.413 -5.490 1.00 0.00 C ATOM 825 CZ TYR A 56 4.814 -0.761 -6.072 1.00 0.00 C ATOM 826 OH TYR A 56 3.996 -1.868 -6.064 1.00 0.00 O ATOM 0 H TYR A 56 8.266 3.180 -3.617 1.00 0.00 H new ATOM 0 HA TYR A 56 9.121 1.475 -5.883 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.886 3.492 -5.532 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.470 3.048 -7.123 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.850 0.223 -7.130 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.868 2.440 -5.045 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.393 -1.751 -7.119 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.409 0.465 -5.028 1.00 0.00 H new ATOM 0 HH TYR A 56 3.531 -1.925 -5.203 1.00 0.00 H new ATOM 836 N GLU A 57 10.476 3.240 -7.020 1.00 0.00 N ATOM 837 CA GLU A 57 11.440 4.198 -7.550 1.00 0.00 C ATOM 838 C GLU A 57 10.748 5.495 -7.960 1.00 0.00 C ATOM 839 O GLU A 57 11.376 6.551 -8.032 1.00 0.00 O ATOM 840 CB GLU A 57 12.179 3.601 -8.749 1.00 0.00 C ATOM 841 CG GLU A 57 13.075 4.595 -9.468 1.00 0.00 C ATOM 842 CD GLU A 57 13.603 4.058 -10.784 1.00 0.00 C ATOM 843 OE1 GLU A 57 14.660 3.393 -10.773 1.00 0.00 O ATOM 844 OE2 GLU A 57 12.960 4.303 -11.826 1.00 0.00 O ATOM 0 H GLU A 57 10.441 2.354 -7.524 1.00 0.00 H new ATOM 0 HA GLU A 57 12.160 4.423 -6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.783 2.759 -8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.449 3.206 -9.455 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.518 5.514 -9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.914 4.855 -8.823 1.00 0.00 H new ATOM 851 N LYS A 58 9.449 5.407 -8.228 1.00 0.00 N ATOM 852 CA LYS A 58 8.670 6.571 -8.630 1.00 0.00 C ATOM 853 C LYS A 58 7.399 6.690 -7.795 1.00 0.00 C ATOM 854 O LYS A 58 6.700 5.703 -7.567 1.00 0.00 O ATOM 855 CB LYS A 58 8.311 6.483 -10.115 1.00 0.00 C ATOM 856 CG LYS A 58 9.521 6.462 -11.033 1.00 0.00 C ATOM 857 CD LYS A 58 9.193 7.037 -12.401 1.00 0.00 C ATOM 858 CE LYS A 58 10.433 7.135 -13.276 1.00 0.00 C ATOM 859 NZ LYS A 58 10.700 5.864 -14.004 1.00 0.00 N ATOM 0 H LYS A 58 8.914 4.540 -8.174 1.00 0.00 H new ATOM 0 HA LYS A 58 9.279 7.459 -8.462 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.721 5.582 -10.285 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.680 7.332 -10.379 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.331 7.034 -10.582 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.877 5.438 -11.144 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.449 6.410 -12.892 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.749 8.026 -12.284 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.308 7.945 -13.994 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.295 7.387 -12.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.553 5.972 -14.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.845 5.095 -13.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.889 5.636 -14.613 1.00 0.00 H new ATOM 873 N MET A 59 7.104 7.904 -7.343 1.00 0.00 N ATOM 874 CA MET A 59 5.915 8.151 -6.536 1.00 0.00 C ATOM 875 C MET A 59 4.660 7.666 -7.254 1.00 0.00 C ATOM 876 O MET A 59 3.765 7.089 -6.637 1.00 0.00 O ATOM 877 CB MET A 59 5.790 9.642 -6.217 1.00 0.00 C ATOM 878 CG MET A 59 5.884 10.536 -7.443 1.00 0.00 C ATOM 879 SD MET A 59 6.363 12.226 -7.035 1.00 0.00 S ATOM 880 CE MET A 59 8.127 12.029 -6.795 1.00 0.00 C ATOM 0 H MET A 59 7.672 8.732 -7.522 1.00 0.00 H new ATOM 0 HA MET A 59 6.017 7.595 -5.604 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.836 9.820 -5.720 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.574 9.921 -5.513 1.00 0.00 H new ATOM 0 HG2 MET A 59 6.609 10.115 -8.140 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.921 10.549 -7.953 1.00 0.00 H new ATOM 0 HE1 MET A 59 8.448 12.631 -5.945 1.00 0.00 H new ATOM 0 HE2 MET A 59 8.353 10.980 -6.603 1.00 0.00 H new ATOM 0 HE3 MET A 59 8.655 12.356 -7.691 1.00 0.00 H new ATOM 890 N GLU A 60 4.602 7.904 -8.561 1.00 0.00 N ATOM 891 CA GLU A 60 3.455 7.491 -9.361 1.00 0.00 C ATOM 892 C GLU A 60 2.903 6.155 -8.873 1.00 0.00 C ATOM 893 O GLU A 60 1.712 6.029 -8.588 1.00 0.00 O ATOM 894 CB GLU A 60 3.846 7.385 -10.837 1.00 0.00 C ATOM 895 CG GLU A 60 4.879 6.307 -11.117 1.00 0.00 C ATOM 896 CD GLU A 60 5.554 6.480 -12.464 1.00 0.00 C ATOM 897 OE1 GLU A 60 5.923 7.626 -12.798 1.00 0.00 O ATOM 898 OE2 GLU A 60 5.712 5.472 -13.183 1.00 0.00 O ATOM 0 H GLU A 60 5.335 8.380 -9.087 1.00 0.00 H new ATOM 0 HA GLU A 60 2.678 8.247 -9.251 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.952 7.182 -11.427 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.237 8.346 -11.171 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.635 6.321 -10.332 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.398 5.330 -11.079 1.00 0.00 H new ATOM 905 N SER A 61 3.778 5.158 -8.780 1.00 0.00 N ATOM 906 CA SER A 61 3.379 3.830 -8.331 1.00 0.00 C ATOM 907 C SER A 61 2.757 3.891 -6.939 1.00 0.00 C ATOM 908 O SER A 61 1.685 3.334 -6.702 1.00 0.00 O ATOM 909 CB SER A 61 4.585 2.888 -8.322 1.00 0.00 C ATOM 910 OG SER A 61 5.214 2.852 -9.591 1.00 0.00 O ATOM 0 H SER A 61 4.768 5.246 -9.010 1.00 0.00 H new ATOM 0 HA SER A 61 2.633 3.447 -9.027 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.300 3.215 -7.567 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.264 1.884 -8.043 1.00 0.00 H new ATOM 0 HG SER A 61 4.914 2.059 -10.082 1.00 0.00 H new ATOM 916 N ALA A 62 3.437 4.572 -6.023 1.00 0.00 N ATOM 917 CA ALA A 62 2.951 4.709 -4.656 1.00 0.00 C ATOM 918 C ALA A 62 1.428 4.777 -4.619 1.00 0.00 C ATOM 919 O ALA A 62 0.772 3.907 -4.045 1.00 0.00 O ATOM 920 CB ALA A 62 3.552 5.944 -4.003 1.00 0.00 C ATOM 0 H ALA A 62 4.326 5.038 -6.203 1.00 0.00 H new ATOM 0 HA ALA A 62 3.263 3.827 -4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.180 6.033 -2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.638 5.855 -3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.269 6.830 -4.571 1.00 0.00 H new ATOM 926 N ASP A 63 0.872 5.815 -5.233 1.00 0.00 N ATOM 927 CA ASP A 63 -0.575 5.996 -5.271 1.00 0.00 C ATOM 928 C ASP A 63 -1.248 4.842 -6.007 1.00 0.00 C ATOM 929 O ASP A 63 -2.262 4.312 -5.553 1.00 0.00 O ATOM 930 CB ASP A 63 -0.927 7.322 -5.946 1.00 0.00 C ATOM 931 CG ASP A 63 -2.423 7.514 -6.102 1.00 0.00 C ATOM 932 OD1 ASP A 63 -3.023 6.822 -6.950 1.00 0.00 O ATOM 933 OD2 ASP A 63 -2.992 8.356 -5.377 1.00 0.00 O ATOM 0 H ASP A 63 1.401 6.544 -5.711 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.941 6.011 -4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.517 8.145 -5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.454 7.363 -6.927 1.00 0.00 H new ATOM 938 N GLN A 64 -0.678 4.459 -7.144 1.00 0.00 N ATOM 939 CA GLN A 64 -1.224 3.369 -7.943 1.00 0.00 C ATOM 940 C GLN A 64 -1.418 2.116 -7.095 1.00 0.00 C ATOM 941 O GLN A 64 -2.545 1.677 -6.867 1.00 0.00 O ATOM 942 CB GLN A 64 -0.302 3.061 -9.124 1.00 0.00 C ATOM 943 CG GLN A 64 -0.355 4.108 -10.226 1.00 0.00 C ATOM 944 CD GLN A 64 -0.007 3.540 -11.588 1.00 0.00 C ATOM 945 OE1 GLN A 64 1.166 3.397 -11.933 1.00 0.00 O ATOM 946 NE2 GLN A 64 -1.029 3.213 -12.371 1.00 0.00 N ATOM 0 H GLN A 64 0.162 4.887 -7.533 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.196 3.683 -8.323 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.723 2.978 -8.762 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.572 2.091 -9.542 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.354 4.542 -10.262 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.335 4.917 -9.987 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.986 3.349 -12.044 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.857 2.826 -13.299 1.00 0.00 H new ATOM 955 N ALA A 65 -0.312 1.545 -6.631 1.00 0.00 N ATOM 956 CA ALA A 65 -0.360 0.344 -5.806 1.00 0.00 C ATOM 957 C ALA A 65 -1.377 0.492 -4.680 1.00 0.00 C ATOM 958 O ALA A 65 -2.353 -0.256 -4.608 1.00 0.00 O ATOM 959 CB ALA A 65 1.018 0.037 -5.239 1.00 0.00 C ATOM 0 H ALA A 65 0.629 1.895 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.674 -0.488 -6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.967 -0.862 -4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.721 -0.121 -6.057 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.355 0.875 -4.628 1.00 0.00 H new ATOM 965 N VAL A 66 -1.143 1.461 -3.801 1.00 0.00 N ATOM 966 CA VAL A 66 -2.039 1.707 -2.677 1.00 0.00 C ATOM 967 C VAL A 66 -3.488 1.801 -3.140 1.00 0.00 C ATOM 968 O VAL A 66 -4.416 1.605 -2.355 1.00 0.00 O ATOM 969 CB VAL A 66 -1.664 3.003 -1.934 1.00 0.00 C ATOM 970 CG1 VAL A 66 -2.825 3.481 -1.075 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.417 2.791 -1.089 1.00 0.00 C ATOM 0 H VAL A 66 -0.340 2.089 -3.845 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.932 0.863 -1.996 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.448 3.775 -2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.542 4.398 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.691 3.675 -1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.076 2.714 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.167 3.717 -0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.603 2.005 -0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.413 2.499 -1.732 1.00 0.00 H new ATOM 981 N ALA A 67 -3.676 2.100 -4.422 1.00 0.00 N ATOM 982 CA ALA A 67 -5.013 2.218 -4.991 1.00 0.00 C ATOM 983 C ALA A 67 -5.550 0.855 -5.416 1.00 0.00 C ATOM 984 O ALA A 67 -6.740 0.577 -5.276 1.00 0.00 O ATOM 985 CB ALA A 67 -5.001 3.175 -6.174 1.00 0.00 C ATOM 0 H ALA A 67 -2.919 2.265 -5.086 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.675 2.617 -4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.006 3.253 -6.589 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.667 4.158 -5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.321 2.800 -6.939 1.00 0.00 H new ATOM 991 N GLU A 68 -4.664 0.011 -5.935 1.00 0.00 N ATOM 992 CA GLU A 68 -5.051 -1.322 -6.382 1.00 0.00 C ATOM 993 C GLU A 68 -4.742 -2.366 -5.311 1.00 0.00 C ATOM 994 O GLU A 68 -5.634 -3.076 -4.845 1.00 0.00 O ATOM 995 CB GLU A 68 -4.327 -1.680 -7.681 1.00 0.00 C ATOM 996 CG GLU A 68 -4.604 -0.711 -8.819 1.00 0.00 C ATOM 997 CD GLU A 68 -5.971 -0.918 -9.441 1.00 0.00 C ATOM 998 OE1 GLU A 68 -6.293 -2.071 -9.797 1.00 0.00 O ATOM 999 OE2 GLU A 68 -6.720 0.073 -9.571 1.00 0.00 O ATOM 0 H GLU A 68 -3.674 0.226 -6.056 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.126 -1.318 -6.563 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.254 -1.709 -7.493 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.624 -2.683 -7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.529 0.311 -8.448 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.838 -0.828 -9.586 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.474 -2.453 -4.927 1.00 0.00 N ATOM 1007 CA LEU A 69 -3.046 -3.409 -3.912 1.00 0.00 C ATOM 1008 C LEU A 69 -3.871 -3.257 -2.638 1.00 0.00 C ATOM 1009 O LEU A 69 -3.867 -4.135 -1.776 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.561 -3.218 -3.597 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.579 -3.784 -4.624 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.805 -3.934 -4.012 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -1.076 -5.119 -5.158 1.00 0.00 C ATOM 0 H LEU A 69 -2.724 -1.873 -5.303 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.202 -4.413 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.367 -2.151 -3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.353 -3.679 -2.632 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.511 -3.085 -5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.490 -4.338 -4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.163 -2.960 -3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.755 -4.612 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.365 -5.507 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.174 -5.827 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.046 -4.982 -5.635 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.581 -2.139 -2.529 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.413 -1.873 -1.361 1.00 0.00 C ATOM 1027 C ASN A 70 -6.601 -2.830 -1.310 1.00 0.00 C ATOM 1028 O ASN A 70 -7.531 -2.724 -2.108 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.910 -0.426 -1.382 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.264 -0.270 -0.717 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -8.299 -0.259 -1.384 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -7.262 -0.148 0.606 1.00 0.00 N ATOM 0 H ASN A 70 -4.597 -1.403 -3.235 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.805 -2.029 -0.470 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.185 0.212 -0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.973 -0.081 -2.414 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.142 -0.040 1.110 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.380 -0.163 1.118 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.561 -3.764 -0.365 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.640 -4.725 -0.226 1.00 0.00 C ATOM 1041 C GLY A 71 -7.705 -5.694 -1.390 1.00 0.00 C ATOM 1042 O GLY A 71 -8.749 -6.292 -1.653 1.00 0.00 O ATOM 0 H GLY A 71 -5.801 -3.873 0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.508 -5.283 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.588 -4.193 -0.146 1.00 0.00 H new ATOM 1046 N THR A 72 -6.587 -5.850 -2.092 1.00 0.00 N ATOM 1047 CA THR A 72 -6.522 -6.750 -3.236 1.00 0.00 C ATOM 1048 C THR A 72 -6.209 -8.176 -2.797 1.00 0.00 C ATOM 1049 O THR A 72 -5.550 -8.390 -1.780 1.00 0.00 O ATOM 1050 CB THR A 72 -5.458 -6.293 -4.252 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.729 -6.865 -5.536 1.00 0.00 O ATOM 1052 CG2 THR A 72 -4.065 -6.697 -3.795 1.00 0.00 C ATOM 0 H THR A 72 -5.714 -5.364 -1.888 1.00 0.00 H new ATOM 0 HA THR A 72 -7.502 -6.726 -3.712 1.00 0.00 H new ATOM 0 HB THR A 72 -5.499 -5.206 -4.323 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.049 -6.568 -6.176 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.331 -6.364 -4.528 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.850 -6.236 -2.831 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.014 -7.781 -3.698 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.684 -9.147 -3.570 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.454 -10.553 -3.259 1.00 0.00 C ATOM 1062 C GLN A 73 -5.451 -11.168 -4.230 1.00 0.00 C ATOM 1063 O GLN A 73 -5.810 -11.571 -5.336 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.771 -11.330 -3.307 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.681 -12.716 -2.691 1.00 0.00 C ATOM 1066 CD GLN A 73 -8.694 -13.681 -3.276 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -8.211 -14.803 -3.797 1.00 0.00 O flip ATOM 1068 NE2 GLN A 73 -9.898 -13.421 -3.260 1.00 0.00 N flip ATOM 0 H GLN A 73 -7.230 -8.986 -4.416 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.041 -10.614 -2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.540 -10.759 -2.786 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.091 -11.423 -4.345 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.677 -13.113 -2.843 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.835 -12.642 -1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.226 -12.547 -2.849 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.567 -14.080 -3.657 1.00 0.00 H new ATOM 1077 N VAL A 74 -4.192 -11.236 -3.808 1.00 0.00 N ATOM 1078 CA VAL A 74 -3.137 -11.802 -4.640 1.00 0.00 C ATOM 1079 C VAL A 74 -2.572 -13.074 -4.019 1.00 0.00 C ATOM 1080 O VAL A 74 -2.388 -13.155 -2.805 1.00 0.00 O ATOM 1081 CB VAL A 74 -1.991 -10.796 -4.855 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.545 -9.422 -5.204 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -1.105 -10.725 -3.621 1.00 0.00 C ATOM 0 H VAL A 74 -3.878 -10.906 -2.895 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.587 -12.040 -5.604 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.382 -11.139 -5.691 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.721 -8.724 -5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.133 -9.489 -6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.178 -9.068 -4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.301 -10.009 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.699 -10.406 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.679 -11.708 -3.422 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.297 -14.066 -4.861 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.753 -15.335 -4.394 1.00 0.00 C ATOM 1095 C GLU A 75 -2.647 -15.949 -3.320 1.00 0.00 C ATOM 1096 O GLU A 75 -2.175 -16.674 -2.444 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.339 -15.137 -3.843 1.00 0.00 C ATOM 1098 CG GLU A 75 0.647 -14.610 -4.873 1.00 0.00 C ATOM 1099 CD GLU A 75 0.914 -15.604 -5.987 1.00 0.00 C ATOM 1100 OE1 GLU A 75 1.651 -16.582 -5.745 1.00 0.00 O ATOM 1101 OE2 GLU A 75 0.385 -15.403 -7.101 1.00 0.00 O ATOM 0 H GLU A 75 -2.442 -14.015 -5.869 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.713 -16.018 -5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.379 -14.444 -3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.027 -16.087 -3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.260 -13.685 -5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.586 -14.363 -4.378 1.00 0.00 H new ATOM 1108 N SER A 76 -3.940 -15.652 -3.395 1.00 0.00 N ATOM 1109 CA SER A 76 -4.901 -16.170 -2.428 1.00 0.00 C ATOM 1110 C SER A 76 -4.696 -15.526 -1.060 1.00 0.00 C ATOM 1111 O SER A 76 -4.969 -16.136 -0.026 1.00 0.00 O ATOM 1112 CB SER A 76 -4.771 -17.690 -2.312 1.00 0.00 C ATOM 1113 OG SER A 76 -5.948 -18.263 -1.771 1.00 0.00 O ATOM 0 H SER A 76 -4.347 -15.055 -4.115 1.00 0.00 H new ATOM 0 HA SER A 76 -5.902 -15.923 -2.781 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.574 -18.117 -3.295 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.918 -17.938 -1.680 1.00 0.00 H new ATOM 0 HG SER A 76 -6.162 -17.828 -0.920 1.00 0.00 H new ATOM 1119 N VAL A 77 -4.213 -14.287 -1.063 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.972 -13.558 0.176 1.00 0.00 C ATOM 1121 C VAL A 77 -4.412 -12.103 0.052 1.00 0.00 C ATOM 1122 O VAL A 77 -3.985 -11.391 -0.856 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.484 -13.601 0.572 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -2.205 -12.627 1.707 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -2.077 -15.014 0.959 1.00 0.00 C ATOM 0 H VAL A 77 -3.981 -13.768 -1.910 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.561 -14.048 0.951 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.888 -13.299 -0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.149 -12.671 1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.457 -11.615 1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.809 -12.895 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.023 -15.026 1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.678 -15.347 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.238 -15.683 0.114 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.267 -11.669 0.972 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.765 -10.298 0.965 1.00 0.00 C ATOM 1137 C GLN A 78 -4.724 -9.338 1.531 1.00 0.00 C ATOM 1138 O GLN A 78 -4.537 -9.255 2.746 1.00 0.00 O ATOM 1139 CB GLN A 78 -7.060 -10.200 1.772 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.312 -10.460 0.949 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.443 -11.042 1.774 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -9.646 -10.659 2.927 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -10.186 -11.972 1.187 1.00 0.00 N ATOM 0 H GLN A 78 -5.629 -12.246 1.731 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.967 -10.016 -0.068 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -7.021 -10.915 2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.127 -9.207 2.216 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.643 -9.527 0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.072 -11.144 0.135 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.982 -12.259 0.230 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.961 -12.400 1.693 1.00 0.00 H new ATOM 1152 N LEU A 79 -4.049 -8.615 0.645 1.00 0.00 N ATOM 1153 CA LEU A 79 -3.026 -7.660 1.057 1.00 0.00 C ATOM 1154 C LEU A 79 -3.618 -6.263 1.214 1.00 0.00 C ATOM 1155 O LEU A 79 -4.450 -5.835 0.414 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.887 -7.632 0.036 1.00 0.00 C ATOM 1157 CG LEU A 79 -0.949 -8.839 0.045 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.198 -8.631 -0.933 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -0.417 -9.092 1.448 1.00 0.00 C ATOM 0 H LEU A 79 -4.191 -8.672 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.633 -7.979 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.321 -7.541 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.293 -6.734 0.208 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.514 -9.716 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.855 -9.500 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.201 -8.501 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.762 -7.743 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.249 -9.955 1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.132 -8.216 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.250 -9.287 2.123 1.00 0.00 H new ATOM 1171 N LYS A 80 -3.181 -5.555 2.251 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.664 -4.204 2.513 1.00 0.00 C ATOM 1173 C LYS A 80 -2.513 -3.203 2.498 1.00 0.00 C ATOM 1174 O LYS A 80 -1.688 -3.176 3.412 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.383 -4.150 3.862 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.834 -4.597 3.797 1.00 0.00 C ATOM 1177 CD LYS A 80 -6.567 -4.303 5.095 1.00 0.00 C ATOM 1178 CE LYS A 80 -7.901 -5.030 5.158 1.00 0.00 C ATOM 1179 NZ LYS A 80 -7.733 -6.506 5.054 1.00 0.00 N ATOM 0 H LYS A 80 -2.493 -5.895 2.923 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.366 -3.936 1.723 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.849 -4.779 4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.343 -3.130 4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.335 -4.090 2.972 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.877 -5.666 3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.947 -4.603 5.940 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.732 -3.229 5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.403 -4.787 6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.544 -4.680 4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.298 -6.973 5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.053 -6.827 4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.730 -6.751 5.180 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.464 -2.380 1.455 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.416 -1.375 1.323 1.00 0.00 C ATOM 1195 C VAL A 81 -1.958 0.024 1.595 1.00 0.00 C ATOM 1196 O VAL A 81 -3.120 0.316 1.313 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.784 -1.405 -0.081 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.480 -0.558 -0.116 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.488 -2.837 -0.502 1.00 0.00 C ATOM 0 H VAL A 81 -3.138 -2.390 0.689 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.652 -1.615 2.063 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.496 -0.982 -0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.913 -0.591 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.234 0.473 0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.200 -0.948 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.042 -2.839 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.205 -3.289 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.415 -3.410 -0.519 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.108 0.886 2.144 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.502 2.255 2.454 1.00 0.00 C ATOM 1211 C ASN A 82 -0.318 3.207 2.312 1.00 0.00 C ATOM 1212 O ASN A 82 0.838 2.784 2.338 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.069 2.336 3.873 1.00 0.00 C ATOM 1214 CG ASN A 82 -1.995 3.738 4.446 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -2.830 4.632 3.931 1.00 0.00 O flip ATOM 1216 ND2 ASN A 82 -1.196 4.013 5.342 1.00 0.00 N flip ATOM 0 H ASN A 82 -0.142 0.660 2.383 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.273 2.554 1.744 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -3.107 2.004 3.866 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.520 1.652 4.520 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.573 3.293 5.708 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.158 4.960 5.718 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.615 4.493 2.163 1.00 0.00 N ATOM 1224 CA ILE A 83 0.424 5.505 2.019 1.00 0.00 C ATOM 1225 C ILE A 83 1.090 5.803 3.358 1.00 0.00 C ATOM 1226 O ILE A 83 0.604 6.623 4.136 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.141 6.814 1.437 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -1.068 6.515 0.257 1.00 0.00 C ATOM 1229 CG2 ILE A 83 0.991 7.736 1.009 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -0.341 6.006 -0.968 1.00 0.00 C ATOM 0 H ILE A 83 -1.567 4.859 2.139 1.00 0.00 H new ATOM 0 HA ILE A 83 1.165 5.101 1.329 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.720 7.318 2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.807 5.775 0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.614 7.421 -0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.575 8.657 0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.615 7.971 1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.595 7.241 0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.060 5.815 -1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.379 6.754 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.183 5.082 -0.723 1.00 0.00 H new ATOM 1242 N ALA A 84 2.208 5.132 3.619 1.00 0.00 N ATOM 1243 CA ALA A 84 2.943 5.328 4.862 1.00 0.00 C ATOM 1244 C ALA A 84 2.971 6.800 5.258 1.00 0.00 C ATOM 1245 O ALA A 84 2.964 7.683 4.400 1.00 0.00 O ATOM 1246 CB ALA A 84 4.360 4.789 4.727 1.00 0.00 C ATOM 0 H ALA A 84 2.624 4.449 2.986 1.00 0.00 H new ATOM 0 HA ALA A 84 2.429 4.777 5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.898 4.942 5.663 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.324 3.724 4.499 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.874 5.315 3.923 1.00 0.00 H new