USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=16 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 73 GLN : amide:sc= 0 X(o=-0.0075,f=-0.022) USER MOD Set 1.2: A 78 GLN : amide:sc=-0.00752 K(o=-0.0075,f=-0.61) USER MOD Set 2.1: A 16 ASN : amide:sc= -0.125 K(o=-0.43,f=-2.9!) USER MOD Set 2.2: A 17 THR OG1 : rot 60:sc= 0.129 USER MOD Set 2.3: A 55 THR OG1 : rot 180:sc= -0.432 USER MOD Set 3.1: A 25 MET CE :methyl 158:sc= -0.86 (180deg=-1.85) USER MOD Set 3.2: A 45 MET CE :methyl -119:sc= -3.21 (180deg=-5.43!) USER MOD Set 4.1: A 19 TYR OH : rot 90:sc= 0.0478 USER MOD Set 4.2: A 51 CYS SG : rot 18:sc= -1.35 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=-0.051) 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 -13:sc= 0.518 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 148:sc= -0.406 (180deg=-1.61!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.537 K(o=-0.54,f=-1.4!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.308 K(o=-0.31,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 206 N ASN A 16 6.906 7.567 -1.313 1.00 0.00 N ATOM 207 CA ASN A 16 7.739 6.523 -1.898 1.00 0.00 C ATOM 208 C ASN A 16 7.498 5.184 -1.208 1.00 0.00 C ATOM 209 O ASN A 16 7.472 4.135 -1.853 1.00 0.00 O ATOM 210 CB ASN A 16 9.217 6.903 -1.796 1.00 0.00 C ATOM 211 CG ASN A 16 9.714 6.911 -0.363 1.00 0.00 C ATOM 212 OD1 ASN A 16 8.974 7.252 0.560 1.00 0.00 O ATOM 213 ND2 ASN A 16 10.973 6.536 -0.171 1.00 0.00 N ATOM 0 HA ASN A 16 7.468 6.424 -2.949 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.811 6.200 -2.380 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.367 7.889 -2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.363 6.523 0.771 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.550 6.261 -0.966 1.00 0.00 H new ATOM 220 N THR A 17 7.321 5.226 0.109 1.00 0.00 N ATOM 221 CA THR A 17 7.082 4.018 0.888 1.00 0.00 C ATOM 222 C THR A 17 5.597 3.676 0.932 1.00 0.00 C ATOM 223 O THR A 17 4.744 4.554 0.797 1.00 0.00 O ATOM 224 CB THR A 17 7.607 4.165 2.328 1.00 0.00 C ATOM 225 OG1 THR A 17 8.925 4.724 2.315 1.00 0.00 O ATOM 226 CG2 THR A 17 7.629 2.819 3.036 1.00 0.00 C ATOM 0 H THR A 17 7.339 6.085 0.659 1.00 0.00 H new ATOM 0 HA THR A 17 7.623 3.211 0.393 1.00 0.00 H new ATOM 0 HB THR A 17 6.936 4.832 2.869 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.902 5.607 1.890 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.003 2.948 4.051 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.619 2.410 3.071 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.280 2.133 2.494 1.00 0.00 H new ATOM 234 N LEU A 18 5.294 2.397 1.123 1.00 0.00 N ATOM 235 CA LEU A 18 3.911 1.939 1.186 1.00 0.00 C ATOM 236 C LEU A 18 3.717 0.949 2.330 1.00 0.00 C ATOM 237 O LEU A 18 4.431 -0.049 2.428 1.00 0.00 O ATOM 238 CB LEU A 18 3.506 1.292 -0.139 1.00 0.00 C ATOM 239 CG LEU A 18 4.021 1.977 -1.405 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.768 1.103 -2.625 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.366 3.340 -1.578 1.00 0.00 C ATOM 0 H LEU A 18 5.988 1.658 1.237 1.00 0.00 H new ATOM 0 HA LEU A 18 3.275 2.805 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.858 0.260 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.418 1.257 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 18 5.096 2.123 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.141 1.606 -3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.284 0.150 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.698 0.925 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.744 3.813 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.286 3.217 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.598 3.967 -0.717 1.00 0.00 H new ATOM 253 N TYR A 19 2.745 1.230 3.191 1.00 0.00 N ATOM 254 CA TYR A 19 2.456 0.364 4.328 1.00 0.00 C ATOM 255 C TYR A 19 1.564 -0.802 3.912 1.00 0.00 C ATOM 256 O TYR A 19 0.369 -0.629 3.672 1.00 0.00 O ATOM 257 CB TYR A 19 1.784 1.162 5.446 1.00 0.00 C ATOM 258 CG TYR A 19 1.851 0.486 6.797 1.00 0.00 C ATOM 259 CD1 TYR A 19 0.935 -0.498 7.149 1.00 0.00 C ATOM 260 CD2 TYR A 19 2.831 0.829 7.720 1.00 0.00 C ATOM 261 CE1 TYR A 19 0.991 -1.118 8.382 1.00 0.00 C ATOM 262 CE2 TYR A 19 2.896 0.214 8.955 1.00 0.00 C ATOM 263 CZ TYR A 19 1.974 -0.759 9.282 1.00 0.00 C ATOM 264 OH TYR A 19 2.035 -1.375 10.511 1.00 0.00 O ATOM 0 H TYR A 19 2.144 2.051 3.123 1.00 0.00 H new ATOM 0 HA TYR A 19 3.400 -0.038 4.695 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.256 2.142 5.516 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.739 1.329 5.184 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.166 -0.783 6.446 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.555 1.590 7.467 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.270 -1.879 8.640 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.664 0.493 9.661 1.00 0.00 H new ATOM 0 HH TYR A 19 2.602 -2.172 10.450 1.00 0.00 H new ATOM 274 N VAL A 20 2.154 -1.990 3.830 1.00 0.00 N ATOM 275 CA VAL A 20 1.414 -3.186 3.445 1.00 0.00 C ATOM 276 C VAL A 20 1.151 -4.081 4.651 1.00 0.00 C ATOM 277 O VAL A 20 1.987 -4.193 5.548 1.00 0.00 O ATOM 278 CB VAL A 20 2.170 -3.995 2.375 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.306 -5.133 1.855 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.613 -3.087 1.237 1.00 0.00 C ATOM 0 H VAL A 20 3.142 -2.150 4.025 1.00 0.00 H new ATOM 0 HA VAL A 20 0.464 -2.850 3.031 1.00 0.00 H new ATOM 0 HB VAL A 20 3.060 -4.428 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.858 -5.693 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.044 -5.796 2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.396 -4.727 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.146 -3.674 0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.739 -2.624 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.272 -2.311 1.626 1.00 0.00 H new ATOM 290 N TYR A 21 -0.015 -4.718 4.666 1.00 0.00 N ATOM 291 CA TYR A 21 -0.389 -5.602 5.763 1.00 0.00 C ATOM 292 C TYR A 21 -1.059 -6.868 5.237 1.00 0.00 C ATOM 293 O TYR A 21 -2.098 -6.808 4.581 1.00 0.00 O ATOM 294 CB TYR A 21 -1.327 -4.880 6.731 1.00 0.00 C ATOM 295 CG TYR A 21 -1.979 -5.797 7.741 1.00 0.00 C ATOM 296 CD1 TYR A 21 -3.060 -6.596 7.388 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.514 -5.865 9.049 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.658 -7.435 8.307 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.106 -6.702 9.974 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.178 -7.485 9.599 1.00 0.00 C ATOM 301 OH TYR A 21 -3.771 -8.320 10.519 1.00 0.00 O ATOM 0 H TYR A 21 -0.717 -4.638 3.931 1.00 0.00 H new ATOM 0 HA TYR A 21 0.520 -5.886 6.293 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.766 -4.110 7.261 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.104 -4.372 6.160 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.439 -6.560 6.377 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.676 -5.253 9.347 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.497 -8.049 8.016 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.732 -6.743 10.986 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.312 -8.236 11.381 1.00 0.00 H new ATOM 311 N GLY A 22 -0.455 -8.016 5.532 1.00 0.00 N ATOM 312 CA GLY A 22 -1.006 -9.281 5.083 1.00 0.00 C ATOM 313 C GLY A 22 -1.056 -10.317 6.188 1.00 0.00 C ATOM 314 O GLY A 22 -0.731 -10.022 7.338 1.00 0.00 O ATOM 0 H GLY A 22 0.406 -8.092 6.074 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.012 -9.119 4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.405 -9.663 4.258 1.00 0.00 H new ATOM 318 N GLU A 23 -1.465 -11.533 5.840 1.00 0.00 N ATOM 319 CA GLU A 23 -1.559 -12.614 6.813 1.00 0.00 C ATOM 320 C GLU A 23 -0.612 -13.755 6.452 1.00 0.00 C ATOM 321 O GLU A 23 0.386 -13.988 7.135 1.00 0.00 O ATOM 322 CB GLU A 23 -2.995 -13.135 6.893 1.00 0.00 C ATOM 323 CG GLU A 23 -4.046 -12.046 6.765 1.00 0.00 C ATOM 324 CD GLU A 23 -4.019 -11.366 5.410 1.00 0.00 C ATOM 325 OE1 GLU A 23 -4.023 -12.081 4.386 1.00 0.00 O ATOM 326 OE2 GLU A 23 -3.994 -10.118 5.373 1.00 0.00 O ATOM 0 H GLU A 23 -1.736 -11.794 4.892 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.269 -12.218 7.786 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.150 -13.872 6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.133 -13.651 7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.033 -12.477 6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.888 -11.301 7.545 1.00 0.00 H new ATOM 333 N ASP A 24 -0.932 -14.463 5.375 1.00 0.00 N ATOM 334 CA ASP A 24 -0.111 -15.579 4.921 1.00 0.00 C ATOM 335 C ASP A 24 0.685 -15.198 3.677 1.00 0.00 C ATOM 336 O ASP A 24 0.671 -15.913 2.676 1.00 0.00 O ATOM 337 CB ASP A 24 -0.986 -16.798 4.627 1.00 0.00 C ATOM 338 CG ASP A 24 -1.828 -17.207 5.820 1.00 0.00 C ATOM 339 OD1 ASP A 24 -1.412 -16.927 6.964 1.00 0.00 O ATOM 340 OD2 ASP A 24 -2.902 -17.807 5.610 1.00 0.00 O ATOM 0 H ASP A 24 -1.755 -14.284 4.800 1.00 0.00 H new ATOM 0 HA ASP A 24 0.590 -15.828 5.717 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.640 -16.578 3.783 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.352 -17.633 4.330 1.00 0.00 H new ATOM 345 N MET A 25 1.377 -14.065 3.747 1.00 0.00 N ATOM 346 CA MET A 25 2.179 -13.589 2.626 1.00 0.00 C ATOM 347 C MET A 25 3.658 -13.539 2.998 1.00 0.00 C ATOM 348 O MET A 25 4.010 -13.357 4.164 1.00 0.00 O ATOM 349 CB MET A 25 1.705 -12.203 2.184 1.00 0.00 C ATOM 350 CG MET A 25 1.200 -11.340 3.329 1.00 0.00 C ATOM 351 SD MET A 25 2.457 -11.052 4.589 1.00 0.00 S ATOM 352 CE MET A 25 2.597 -9.267 4.525 1.00 0.00 C ATOM 0 H MET A 25 1.398 -13.460 4.568 1.00 0.00 H new ATOM 0 HA MET A 25 2.054 -14.288 1.799 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.527 -11.688 1.687 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.909 -12.318 1.448 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.861 -10.382 2.935 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.335 -11.821 3.787 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.012 -8.901 5.464 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.253 -8.983 3.702 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.611 -8.830 4.370 1.00 0.00 H new ATOM 362 N THR A 26 4.521 -13.701 2.000 1.00 0.00 N ATOM 363 CA THR A 26 5.961 -13.676 2.222 1.00 0.00 C ATOM 364 C THR A 26 6.635 -12.632 1.339 1.00 0.00 C ATOM 365 O THR A 26 6.102 -12.216 0.310 1.00 0.00 O ATOM 366 CB THR A 26 6.596 -15.052 1.948 1.00 0.00 C ATOM 367 OG1 THR A 26 5.917 -15.698 0.865 1.00 0.00 O ATOM 368 CG2 THR A 26 6.537 -15.932 3.187 1.00 0.00 C ATOM 0 H THR A 26 4.247 -13.851 1.029 1.00 0.00 H new ATOM 0 HA THR A 26 6.115 -13.416 3.269 1.00 0.00 H new ATOM 0 HB THR A 26 7.641 -14.898 1.681 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.328 -16.572 0.696 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.991 -16.898 2.969 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.080 -15.451 4.001 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.497 -16.078 3.480 1.00 0.00 H new ATOM 376 N PRO A 27 7.837 -12.198 1.747 1.00 0.00 N ATOM 377 CA PRO A 27 8.611 -11.198 1.005 1.00 0.00 C ATOM 378 C PRO A 27 8.694 -11.516 -0.483 1.00 0.00 C ATOM 379 O PRO A 27 8.210 -10.754 -1.321 1.00 0.00 O ATOM 380 CB PRO A 27 9.998 -11.275 1.648 1.00 0.00 C ATOM 381 CG PRO A 27 9.749 -11.778 3.028 1.00 0.00 C ATOM 382 CD PRO A 27 8.533 -12.650 2.964 1.00 0.00 C ATOM 0 HA PRO A 27 8.156 -10.209 1.058 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.654 -11.947 1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.482 -10.298 1.664 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.608 -12.340 3.394 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.593 -10.949 3.718 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.801 -13.705 2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.908 -12.530 3.849 1.00 0.00 H new ATOM 390 N THR A 28 9.311 -12.649 -0.808 1.00 0.00 N ATOM 391 CA THR A 28 9.458 -13.068 -2.196 1.00 0.00 C ATOM 392 C THR A 28 8.176 -12.823 -2.983 1.00 0.00 C ATOM 393 O THR A 28 8.217 -12.436 -4.152 1.00 0.00 O ATOM 394 CB THR A 28 9.832 -14.559 -2.296 1.00 0.00 C ATOM 395 OG1 THR A 28 11.034 -14.813 -1.561 1.00 0.00 O ATOM 396 CG2 THR A 28 10.021 -14.973 -3.747 1.00 0.00 C ATOM 0 H THR A 28 9.717 -13.292 -0.128 1.00 0.00 H new ATOM 0 HA THR A 28 10.263 -12.470 -2.623 1.00 0.00 H new ATOM 0 HB THR A 28 9.017 -15.145 -1.871 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.264 -15.763 -1.628 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.285 -16.030 -3.792 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.095 -14.806 -4.297 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.820 -14.380 -4.193 1.00 0.00 H new ATOM 404 N LEU A 29 7.038 -13.050 -2.337 1.00 0.00 N ATOM 405 CA LEU A 29 5.742 -12.853 -2.977 1.00 0.00 C ATOM 406 C LEU A 29 5.513 -11.381 -3.302 1.00 0.00 C ATOM 407 O LEU A 29 5.178 -11.029 -4.434 1.00 0.00 O ATOM 408 CB LEU A 29 4.620 -13.367 -2.072 1.00 0.00 C ATOM 409 CG LEU A 29 3.288 -13.667 -2.759 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.443 -14.598 -1.902 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.535 -12.377 -3.048 1.00 0.00 C ATOM 0 H LEU A 29 6.986 -13.371 -1.370 1.00 0.00 H new ATOM 0 HA LEU A 29 5.736 -13.417 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.965 -14.276 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.444 -12.629 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 29 3.494 -14.165 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.499 -14.800 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.979 -15.534 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.246 -14.127 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.589 -12.610 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.340 -11.852 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.135 -11.744 -3.701 1.00 0.00 H new ATOM 423 N LEU A 30 5.698 -10.524 -2.304 1.00 0.00 N ATOM 424 CA LEU A 30 5.514 -9.088 -2.484 1.00 0.00 C ATOM 425 C LEU A 30 6.403 -8.562 -3.607 1.00 0.00 C ATOM 426 O LEU A 30 6.043 -7.613 -4.304 1.00 0.00 O ATOM 427 CB LEU A 30 5.825 -8.347 -1.183 1.00 0.00 C ATOM 428 CG LEU A 30 5.255 -8.966 0.094 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.486 -8.045 1.283 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.772 -9.263 -0.072 1.00 0.00 C ATOM 0 H LEU A 30 5.975 -10.799 -1.362 1.00 0.00 H new ATOM 0 HA LEU A 30 4.473 -8.911 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.908 -8.278 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.447 -7.328 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 30 5.774 -9.906 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.074 -8.502 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.556 -7.883 1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.994 -7.089 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.384 -9.703 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.237 -8.337 -0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.631 -9.962 -0.897 1.00 0.00 H new ATOM 442 N ARG A 31 7.564 -9.186 -3.777 1.00 0.00 N ATOM 443 CA ARG A 31 8.503 -8.782 -4.816 1.00 0.00 C ATOM 444 C ARG A 31 7.864 -8.885 -6.198 1.00 0.00 C ATOM 445 O ARG A 31 8.033 -8.004 -7.039 1.00 0.00 O ATOM 446 CB ARG A 31 9.763 -9.647 -4.759 1.00 0.00 C ATOM 447 CG ARG A 31 10.830 -9.109 -3.819 1.00 0.00 C ATOM 448 CD ARG A 31 12.199 -9.687 -4.141 1.00 0.00 C ATOM 449 NE ARG A 31 13.255 -9.069 -3.345 1.00 0.00 N ATOM 450 CZ ARG A 31 14.513 -9.495 -3.335 1.00 0.00 C ATOM 451 NH1 ARG A 31 14.870 -10.535 -4.076 1.00 0.00 N ATOM 452 NH2 ARG A 31 15.418 -8.879 -2.584 1.00 0.00 N ATOM 0 H ARG A 31 7.877 -9.973 -3.209 1.00 0.00 H new ATOM 0 HA ARG A 31 8.776 -7.742 -4.638 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.488 -10.654 -4.445 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.182 -9.729 -5.762 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.866 -8.022 -3.892 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.565 -9.350 -2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.190 -10.762 -3.960 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.413 -9.544 -5.200 1.00 0.00 H new ATOM 0 HE ARG A 31 13.014 -8.266 -2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.178 -11.010 -4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.837 -10.860 -4.067 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.148 -8.078 -2.014 1.00 0.00 H new ATOM 0 HH22 ARG A 31 16.384 -9.207 -2.577 1.00 0.00 H new ATOM 466 N GLY A 32 7.129 -9.970 -6.425 1.00 0.00 N ATOM 467 CA GLY A 32 6.477 -10.170 -7.705 1.00 0.00 C ATOM 468 C GLY A 32 5.066 -9.615 -7.730 1.00 0.00 C ATOM 469 O GLY A 32 4.436 -9.551 -8.785 1.00 0.00 O ATOM 0 H GLY A 32 6.974 -10.714 -5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.066 -9.692 -8.488 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.449 -11.236 -7.933 1.00 0.00 H new ATOM 473 N ALA A 33 4.570 -9.214 -6.565 1.00 0.00 N ATOM 474 CA ALA A 33 3.225 -8.661 -6.457 1.00 0.00 C ATOM 475 C ALA A 33 3.244 -7.142 -6.588 1.00 0.00 C ATOM 476 O ALA A 33 2.311 -6.544 -7.125 1.00 0.00 O ATOM 477 CB ALA A 33 2.590 -9.071 -5.137 1.00 0.00 C ATOM 0 H ALA A 33 5.079 -9.261 -5.682 1.00 0.00 H new ATOM 0 HA ALA A 33 2.627 -9.063 -7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.586 -8.651 -5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.533 -10.158 -5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.195 -8.698 -4.311 1.00 0.00 H new ATOM 483 N PHE A 34 4.311 -6.523 -6.094 1.00 0.00 N ATOM 484 CA PHE A 34 4.450 -5.073 -6.154 1.00 0.00 C ATOM 485 C PHE A 34 5.278 -4.656 -7.366 1.00 0.00 C ATOM 486 O PHE A 34 5.221 -3.507 -7.805 1.00 0.00 O ATOM 487 CB PHE A 34 5.100 -4.548 -4.873 1.00 0.00 C ATOM 488 CG PHE A 34 4.163 -4.501 -3.700 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.846 -5.656 -3.003 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.599 -3.302 -3.295 1.00 0.00 C ATOM 491 CE1 PHE A 34 2.983 -5.615 -1.924 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.735 -3.255 -2.216 1.00 0.00 C ATOM 493 CZ PHE A 34 2.428 -4.414 -1.530 1.00 0.00 C ATOM 0 H PHE A 34 5.092 -7.003 -5.648 1.00 0.00 H new ATOM 0 HA PHE A 34 3.454 -4.641 -6.250 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.952 -5.180 -4.622 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.489 -3.547 -5.057 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.278 -6.598 -3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.837 -2.393 -3.828 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.743 -6.522 -1.389 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.301 -2.314 -1.910 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.755 -4.381 -0.686 1.00 0.00 H new ATOM 503 N SER A 35 6.047 -5.598 -7.902 1.00 0.00 N ATOM 504 CA SER A 35 6.891 -5.328 -9.060 1.00 0.00 C ATOM 505 C SER A 35 6.046 -4.929 -10.266 1.00 0.00 C ATOM 506 O SER A 35 6.342 -3.964 -10.971 1.00 0.00 O ATOM 507 CB SER A 35 7.736 -6.558 -9.400 1.00 0.00 C ATOM 508 OG SER A 35 7.958 -6.654 -10.796 1.00 0.00 O ATOM 0 H SER A 35 6.103 -6.555 -7.553 1.00 0.00 H new ATOM 0 HA SER A 35 7.553 -4.499 -8.811 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.692 -6.501 -8.880 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.233 -7.458 -9.046 1.00 0.00 H new ATOM 0 HG SER A 35 8.501 -7.447 -10.987 1.00 0.00 H new ATOM 514 N PRO A 36 4.968 -5.688 -10.510 1.00 0.00 N ATOM 515 CA PRO A 36 4.057 -5.433 -11.630 1.00 0.00 C ATOM 516 C PRO A 36 3.644 -3.968 -11.720 1.00 0.00 C ATOM 517 O PRO A 36 3.161 -3.511 -12.756 1.00 0.00 O ATOM 518 CB PRO A 36 2.845 -6.311 -11.309 1.00 0.00 C ATOM 519 CG PRO A 36 3.389 -7.414 -10.467 1.00 0.00 C ATOM 520 CD PRO A 36 4.555 -6.854 -9.711 1.00 0.00 C ATOM 0 HA PRO A 36 4.521 -5.657 -12.591 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.078 -5.748 -10.777 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.384 -6.697 -12.218 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.628 -7.787 -9.781 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.699 -8.255 -11.087 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.273 -6.565 -8.699 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.361 -7.583 -9.622 1.00 0.00 H new ATOM 528 N PHE A 37 3.838 -3.236 -10.628 1.00 0.00 N ATOM 529 CA PHE A 37 3.485 -1.821 -10.584 1.00 0.00 C ATOM 530 C PHE A 37 4.684 -0.950 -10.946 1.00 0.00 C ATOM 531 O PHE A 37 4.535 0.112 -11.550 1.00 0.00 O ATOM 532 CB PHE A 37 2.970 -1.446 -9.193 1.00 0.00 C ATOM 533 CG PHE A 37 1.599 -1.983 -8.897 1.00 0.00 C ATOM 534 CD1 PHE A 37 1.437 -3.262 -8.388 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.472 -1.210 -9.127 1.00 0.00 C ATOM 536 CE1 PHE A 37 0.177 -3.760 -8.114 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.790 -1.702 -8.854 1.00 0.00 C ATOM 538 CZ PHE A 37 -0.938 -2.979 -8.349 1.00 0.00 C ATOM 0 H PHE A 37 4.237 -3.598 -9.762 1.00 0.00 H new ATOM 0 HA PHE A 37 2.697 -1.646 -11.316 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.667 -1.819 -8.443 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.954 -0.360 -9.101 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.306 -3.877 -8.203 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.581 -0.212 -9.524 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.064 -4.758 -7.717 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.660 -1.088 -9.035 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.924 -3.366 -8.138 1.00 0.00 H new ATOM 548 N GLY A 38 5.876 -1.408 -10.573 1.00 0.00 N ATOM 549 CA GLY A 38 7.083 -0.658 -10.866 1.00 0.00 C ATOM 550 C GLY A 38 8.338 -1.381 -10.416 1.00 0.00 C ATOM 551 O GLY A 38 8.525 -2.559 -10.717 1.00 0.00 O ATOM 0 H GLY A 38 6.027 -2.285 -10.074 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.140 -0.471 -11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.031 0.314 -10.375 1.00 0.00 H new ATOM 555 N ASN A 39 9.200 -0.673 -9.694 1.00 0.00 N ATOM 556 CA ASN A 39 10.444 -1.254 -9.203 1.00 0.00 C ATOM 557 C ASN A 39 10.544 -1.126 -7.686 1.00 0.00 C ATOM 558 O ASN A 39 10.291 -0.059 -7.125 1.00 0.00 O ATOM 559 CB ASN A 39 11.645 -0.573 -9.864 1.00 0.00 C ATOM 560 CG ASN A 39 12.967 -1.156 -9.402 1.00 0.00 C ATOM 561 OD1 ASN A 39 13.150 -2.373 -9.388 1.00 0.00 O ATOM 562 ND2 ASN A 39 13.895 -0.287 -9.021 1.00 0.00 N ATOM 0 H ASN A 39 9.060 0.304 -9.436 1.00 0.00 H new ATOM 0 HA ASN A 39 10.447 -2.313 -9.461 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.565 -0.673 -10.946 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.623 0.493 -9.640 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.804 -0.620 -8.700 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.699 0.714 -9.049 1.00 0.00 H new ATOM 569 N ILE A 40 10.915 -2.219 -7.029 1.00 0.00 N ATOM 570 CA ILE A 40 11.050 -2.229 -5.577 1.00 0.00 C ATOM 571 C ILE A 40 12.492 -1.966 -5.157 1.00 0.00 C ATOM 572 O ILE A 40 13.372 -2.801 -5.367 1.00 0.00 O ATOM 573 CB ILE A 40 10.589 -3.570 -4.978 1.00 0.00 C ATOM 574 CG1 ILE A 40 9.146 -3.870 -5.391 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.716 -3.545 -3.462 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.739 -5.309 -5.164 1.00 0.00 C ATOM 0 H ILE A 40 11.128 -3.110 -7.479 1.00 0.00 H new ATOM 0 HA ILE A 40 10.412 -1.432 -5.195 1.00 0.00 H new ATOM 0 HB ILE A 40 11.230 -4.362 -5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.474 -3.218 -4.833 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.021 -3.628 -6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.386 -4.500 -3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.756 -3.372 -3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.096 -2.744 -3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.705 -5.449 -5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.387 -5.966 -5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.831 -5.551 -4.105 1.00 0.00 H new ATOM 588 N ILE A 41 12.726 -0.801 -4.562 1.00 0.00 N ATOM 589 CA ILE A 41 14.061 -0.430 -4.109 1.00 0.00 C ATOM 590 C ILE A 41 14.231 -0.702 -2.619 1.00 0.00 C ATOM 591 O ILE A 41 15.353 -0.782 -2.116 1.00 0.00 O ATOM 592 CB ILE A 41 14.356 1.056 -4.386 1.00 0.00 C ATOM 593 CG1 ILE A 41 13.188 1.926 -3.917 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.626 1.276 -5.867 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.478 3.410 -3.976 1.00 0.00 C ATOM 0 H ILE A 41 12.009 -0.098 -4.383 1.00 0.00 H new ATOM 0 HA ILE A 41 14.767 -1.043 -4.670 1.00 0.00 H new ATOM 0 HB ILE A 41 15.247 1.344 -3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.315 1.710 -4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.932 1.655 -2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 41 14.833 2.331 -6.046 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.486 0.681 -6.172 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.752 0.974 -6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.606 3.965 -3.629 1.00 0.00 H new ATOM 0 HD12 ILE A 41 14.332 3.640 -3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.705 3.696 -5.003 1.00 0.00 H new ATOM 607 N ASP A 42 13.112 -0.844 -1.917 1.00 0.00 N ATOM 608 CA ASP A 42 13.137 -1.110 -0.483 1.00 0.00 C ATOM 609 C ASP A 42 11.934 -1.948 -0.065 1.00 0.00 C ATOM 610 O ASP A 42 10.806 -1.455 -0.018 1.00 0.00 O ATOM 611 CB ASP A 42 13.157 0.203 0.300 1.00 0.00 C ATOM 612 CG ASP A 42 13.855 0.069 1.639 1.00 0.00 C ATOM 613 OD1 ASP A 42 15.092 -0.104 1.647 1.00 0.00 O ATOM 614 OD2 ASP A 42 13.166 0.135 2.678 1.00 0.00 O ATOM 0 H ASP A 42 12.176 -0.779 -2.318 1.00 0.00 H new ATOM 0 HA ASP A 42 14.044 -1.672 -0.258 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.658 0.968 -0.293 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.134 0.543 0.460 1.00 0.00 H new ATOM 619 N LEU A 43 12.180 -3.218 0.237 1.00 0.00 N ATOM 620 CA LEU A 43 11.117 -4.127 0.650 1.00 0.00 C ATOM 621 C LEU A 43 11.476 -4.828 1.956 1.00 0.00 C ATOM 622 O LEU A 43 12.324 -5.720 1.981 1.00 0.00 O ATOM 623 CB LEU A 43 10.852 -5.164 -0.442 1.00 0.00 C ATOM 624 CG LEU A 43 10.125 -6.435 0.000 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.821 -6.087 0.702 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.866 -7.344 -1.192 1.00 0.00 C ATOM 0 H LEU A 43 13.107 -3.642 0.204 1.00 0.00 H new ATOM 0 HA LEU A 43 10.213 -3.539 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.267 -4.690 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.807 -5.450 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 43 10.762 -6.968 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.317 -7.004 1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.032 -5.477 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.178 -5.531 0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.348 -8.243 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.249 -6.820 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.815 -7.621 -1.651 1.00 0.00 H new ATOM 638 N SER A 44 10.824 -4.419 3.040 1.00 0.00 N ATOM 639 CA SER A 44 11.076 -5.007 4.351 1.00 0.00 C ATOM 640 C SER A 44 9.824 -5.692 4.889 1.00 0.00 C ATOM 641 O SER A 44 8.717 -5.166 4.772 1.00 0.00 O ATOM 642 CB SER A 44 11.546 -3.932 5.333 1.00 0.00 C ATOM 643 OG SER A 44 12.925 -3.652 5.161 1.00 0.00 O ATOM 0 H SER A 44 10.118 -3.683 3.036 1.00 0.00 H new ATOM 0 HA SER A 44 11.860 -5.757 4.242 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.966 -3.021 5.185 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.364 -4.264 6.355 1.00 0.00 H new ATOM 0 HG SER A 44 13.201 -2.961 5.799 1.00 0.00 H new ATOM 649 N MET A 45 10.008 -6.868 5.480 1.00 0.00 N ATOM 650 CA MET A 45 8.893 -7.625 6.038 1.00 0.00 C ATOM 651 C MET A 45 9.100 -7.878 7.528 1.00 0.00 C ATOM 652 O MET A 45 10.107 -8.457 7.935 1.00 0.00 O ATOM 653 CB MET A 45 8.732 -8.955 5.300 1.00 0.00 C ATOM 654 CG MET A 45 7.804 -8.875 4.099 1.00 0.00 C ATOM 655 SD MET A 45 6.063 -8.966 4.559 1.00 0.00 S ATOM 656 CE MET A 45 5.626 -10.579 3.915 1.00 0.00 C ATOM 0 H MET A 45 10.918 -7.317 5.585 1.00 0.00 H new ATOM 0 HA MET A 45 7.985 -7.035 5.910 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.712 -9.299 4.969 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.350 -9.703 5.995 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.986 -7.942 3.565 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.037 -9.687 3.410 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.844 -10.471 3.163 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.504 -11.040 3.462 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.264 -11.209 4.727 1.00 0.00 H new ATOM 666 N ASP A 46 8.140 -7.442 8.336 1.00 0.00 N ATOM 667 CA ASP A 46 8.217 -7.622 9.781 1.00 0.00 C ATOM 668 C ASP A 46 7.122 -8.565 10.270 1.00 0.00 C ATOM 669 O ASP A 46 5.985 -8.161 10.515 1.00 0.00 O ATOM 670 CB ASP A 46 8.101 -6.273 10.492 1.00 0.00 C ATOM 671 CG ASP A 46 9.374 -5.456 10.396 1.00 0.00 C ATOM 672 OD1 ASP A 46 10.448 -5.989 10.744 1.00 0.00 O ATOM 673 OD2 ASP A 46 9.296 -4.283 9.974 1.00 0.00 O ATOM 0 H ASP A 46 7.299 -6.961 8.015 1.00 0.00 H new ATOM 0 HA ASP A 46 9.185 -8.065 10.016 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.276 -5.707 10.059 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.857 -6.439 11.541 1.00 0.00 H new ATOM 678 N PRO A 47 7.470 -9.852 10.415 1.00 0.00 N ATOM 679 CA PRO A 47 6.531 -10.879 10.875 1.00 0.00 C ATOM 680 C PRO A 47 5.761 -10.446 12.118 1.00 0.00 C ATOM 681 O PRO A 47 4.551 -10.647 12.229 1.00 0.00 O ATOM 682 CB PRO A 47 7.437 -12.071 11.195 1.00 0.00 C ATOM 683 CG PRO A 47 8.634 -11.880 10.329 1.00 0.00 C ATOM 684 CD PRO A 47 8.808 -10.404 10.141 1.00 0.00 C ATOM 0 HA PRO A 47 5.767 -11.096 10.129 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.710 -12.089 12.250 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.939 -13.016 10.979 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.519 -12.317 10.792 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.499 -12.378 9.369 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.555 -9.999 10.824 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.139 -10.166 9.130 1.00 0.00 H new ATOM 692 N PRO A 48 6.476 -9.837 13.075 1.00 0.00 N ATOM 693 CA PRO A 48 5.880 -9.362 14.327 1.00 0.00 C ATOM 694 C PRO A 48 4.605 -8.559 14.094 1.00 0.00 C ATOM 695 O PRO A 48 3.602 -8.754 14.781 1.00 0.00 O ATOM 696 CB PRO A 48 6.971 -8.471 14.924 1.00 0.00 C ATOM 697 CG PRO A 48 8.244 -9.000 14.358 1.00 0.00 C ATOM 698 CD PRO A 48 7.922 -9.565 13.009 1.00 0.00 C ATOM 0 HA PRO A 48 5.582 -10.186 14.975 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.821 -7.426 14.653 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.971 -8.521 16.013 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.988 -8.208 14.277 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.665 -9.768 15.007 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.160 -8.859 12.213 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.491 -10.473 12.810 1.00 0.00 H new ATOM 706 N ARG A 49 4.650 -7.655 13.120 1.00 0.00 N ATOM 707 CA ARG A 49 3.499 -6.821 12.797 1.00 0.00 C ATOM 708 C ARG A 49 2.823 -7.301 11.516 1.00 0.00 C ATOM 709 O ARG A 49 2.000 -6.595 10.935 1.00 0.00 O ATOM 710 CB ARG A 49 3.926 -5.361 12.645 1.00 0.00 C ATOM 711 CG ARG A 49 4.622 -4.798 13.873 1.00 0.00 C ATOM 712 CD ARG A 49 3.705 -4.808 15.087 1.00 0.00 C ATOM 713 NE ARG A 49 4.384 -4.334 16.290 1.00 0.00 N ATOM 714 CZ ARG A 49 3.805 -4.272 17.484 1.00 0.00 C ATOM 715 NH1 ARG A 49 2.544 -4.652 17.633 1.00 0.00 N ATOM 716 NH2 ARG A 49 4.488 -3.829 18.531 1.00 0.00 N ATOM 0 H ARG A 49 5.472 -7.482 12.541 1.00 0.00 H new ATOM 0 HA ARG A 49 2.784 -6.899 13.616 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.594 -5.274 11.788 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.047 -4.755 12.427 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.516 -5.384 14.086 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.950 -3.778 13.671 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.836 -4.180 14.890 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.336 -5.820 15.254 1.00 0.00 H new ATOM 0 HE ARG A 49 5.356 -4.034 16.209 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.016 -4.993 16.830 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.102 -4.603 18.551 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.459 -3.536 18.420 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.043 -3.782 19.447 1.00 0.00 H new ATOM 730 N ASN A 50 3.177 -8.506 11.081 1.00 0.00 N ATOM 731 CA ASN A 50 2.606 -9.080 9.868 1.00 0.00 C ATOM 732 C ASN A 50 2.399 -8.006 8.804 1.00 0.00 C ATOM 733 O ASN A 50 1.379 -7.990 8.114 1.00 0.00 O ATOM 734 CB ASN A 50 1.275 -9.766 10.182 1.00 0.00 C ATOM 735 CG ASN A 50 1.370 -10.694 11.377 1.00 0.00 C ATOM 736 OD1 ASN A 50 1.916 -11.794 11.281 1.00 0.00 O ATOM 737 ND2 ASN A 50 0.838 -10.255 12.512 1.00 0.00 N ATOM 0 H ASN A 50 3.857 -9.104 11.551 1.00 0.00 H new ATOM 0 HA ASN A 50 3.306 -9.820 9.481 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.515 -9.008 10.374 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.947 -10.333 9.311 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.872 -10.836 13.350 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.395 -9.337 12.546 1.00 0.00 H new ATOM 744 N CYS A 51 3.374 -7.113 8.676 1.00 0.00 N ATOM 745 CA CYS A 51 3.299 -6.035 7.696 1.00 0.00 C ATOM 746 C CYS A 51 4.618 -5.891 6.945 1.00 0.00 C ATOM 747 O CYS A 51 5.602 -6.558 7.264 1.00 0.00 O ATOM 748 CB CYS A 51 2.943 -4.716 8.383 1.00 0.00 C ATOM 749 SG CYS A 51 4.216 -4.106 9.513 1.00 0.00 S ATOM 0 H CYS A 51 4.225 -7.114 9.238 1.00 0.00 H new ATOM 0 HA CYS A 51 2.518 -6.284 6.978 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.757 -3.960 7.620 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.013 -4.846 8.936 1.00 0.00 H new ATOM 0 HG CYS A 51 5.345 -4.697 9.255 1.00 0.00 H new ATOM 755 N ALA A 52 4.631 -5.018 5.943 1.00 0.00 N ATOM 756 CA ALA A 52 5.829 -4.786 5.146 1.00 0.00 C ATOM 757 C ALA A 52 5.839 -3.376 4.566 1.00 0.00 C ATOM 758 O ALA A 52 4.801 -2.718 4.490 1.00 0.00 O ATOM 759 CB ALA A 52 5.930 -5.818 4.033 1.00 0.00 C ATOM 0 H ALA A 52 3.824 -4.459 5.664 1.00 0.00 H new ATOM 0 HA ALA A 52 6.695 -4.887 5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.829 -5.633 3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.979 -6.817 4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.054 -5.745 3.388 1.00 0.00 H new ATOM 765 N PHE A 53 7.018 -2.917 4.159 1.00 0.00 N ATOM 766 CA PHE A 53 7.163 -1.583 3.587 1.00 0.00 C ATOM 767 C PHE A 53 7.815 -1.650 2.210 1.00 0.00 C ATOM 768 O PHE A 53 9.030 -1.815 2.093 1.00 0.00 O ATOM 769 CB PHE A 53 7.994 -0.695 4.515 1.00 0.00 C ATOM 770 CG PHE A 53 7.599 -0.803 5.960 1.00 0.00 C ATOM 771 CD1 PHE A 53 6.395 -0.282 6.405 1.00 0.00 C ATOM 772 CD2 PHE A 53 8.434 -1.426 6.875 1.00 0.00 C ATOM 773 CE1 PHE A 53 6.029 -0.381 7.734 1.00 0.00 C ATOM 774 CE2 PHE A 53 8.073 -1.527 8.205 1.00 0.00 C ATOM 775 CZ PHE A 53 6.870 -1.003 8.635 1.00 0.00 C ATOM 0 H PHE A 53 7.887 -3.449 4.215 1.00 0.00 H new ATOM 0 HA PHE A 53 6.168 -1.151 3.478 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.046 -0.961 4.413 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.895 0.343 4.196 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.734 0.208 5.705 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.377 -1.837 6.545 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.086 0.028 8.067 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.731 -2.016 8.908 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.587 -1.080 9.675 1.00 0.00 H new ATOM 785 N VAL A 54 6.999 -1.522 1.168 1.00 0.00 N ATOM 786 CA VAL A 54 7.496 -1.567 -0.202 1.00 0.00 C ATOM 787 C VAL A 54 7.667 -0.163 -0.771 1.00 0.00 C ATOM 788 O VAL A 54 6.699 0.585 -0.913 1.00 0.00 O ATOM 789 CB VAL A 54 6.549 -2.367 -1.116 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.104 -2.436 -2.531 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.322 -3.763 -0.555 1.00 0.00 C ATOM 0 H VAL A 54 5.991 -1.386 1.247 1.00 0.00 H new ATOM 0 HA VAL A 54 8.466 -2.064 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 54 5.588 -1.854 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.421 -3.005 -3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.211 -1.427 -2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.078 -2.925 -2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.651 -4.315 -1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.275 -4.287 -0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.877 -3.688 0.437 1.00 0.00 H new ATOM 801 N THR A 55 8.907 0.190 -1.097 1.00 0.00 N ATOM 802 CA THR A 55 9.206 1.505 -1.650 1.00 0.00 C ATOM 803 C THR A 55 9.365 1.441 -3.165 1.00 0.00 C ATOM 804 O THR A 55 10.067 0.576 -3.689 1.00 0.00 O ATOM 805 CB THR A 55 10.490 2.094 -1.036 1.00 0.00 C ATOM 806 OG1 THR A 55 10.389 2.104 0.393 1.00 0.00 O ATOM 807 CG2 THR A 55 10.733 3.508 -1.542 1.00 0.00 C ATOM 0 H THR A 55 9.720 -0.416 -0.988 1.00 0.00 H new ATOM 0 HA THR A 55 8.364 2.151 -1.402 1.00 0.00 H new ATOM 0 HB THR A 55 11.330 1.468 -1.337 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.210 2.478 0.776 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.645 3.903 -1.095 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.838 3.493 -2.627 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.890 4.142 -1.268 1.00 0.00 H new ATOM 815 N TYR A 56 8.710 2.361 -3.863 1.00 0.00 N ATOM 816 CA TYR A 56 8.777 2.408 -5.319 1.00 0.00 C ATOM 817 C TYR A 56 9.769 3.469 -5.785 1.00 0.00 C ATOM 818 O TYR A 56 9.927 4.509 -5.146 1.00 0.00 O ATOM 819 CB TYR A 56 7.394 2.694 -5.906 1.00 0.00 C ATOM 820 CG TYR A 56 6.486 1.485 -5.934 1.00 0.00 C ATOM 821 CD1 TYR A 56 6.917 0.281 -6.477 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.197 1.547 -5.418 1.00 0.00 C ATOM 823 CE1 TYR A 56 6.091 -0.826 -6.505 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.365 0.445 -5.441 1.00 0.00 C ATOM 825 CZ TYR A 56 4.816 -0.739 -5.986 1.00 0.00 C ATOM 826 OH TYR A 56 3.990 -1.839 -6.012 1.00 0.00 O ATOM 0 H TYR A 56 8.126 3.085 -3.444 1.00 0.00 H new ATOM 0 HA TYR A 56 9.120 1.436 -5.672 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.917 3.482 -5.324 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.511 3.074 -6.921 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.915 0.209 -6.884 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.840 2.473 -4.992 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.442 -1.754 -6.931 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.367 0.510 -5.034 1.00 0.00 H new ATOM 0 HH TYR A 56 4.371 -2.520 -6.605 1.00 0.00 H new ATOM 836 N GLU A 57 10.434 3.198 -6.904 1.00 0.00 N ATOM 837 CA GLU A 57 11.411 4.130 -7.456 1.00 0.00 C ATOM 838 C GLU A 57 10.760 5.471 -7.782 1.00 0.00 C ATOM 839 O GLU A 57 11.428 6.504 -7.828 1.00 0.00 O ATOM 840 CB GLU A 57 12.053 3.543 -8.714 1.00 0.00 C ATOM 841 CG GLU A 57 13.281 4.306 -9.183 1.00 0.00 C ATOM 842 CD GLU A 57 14.563 3.784 -8.565 1.00 0.00 C ATOM 843 OE1 GLU A 57 15.081 2.758 -9.053 1.00 0.00 O ATOM 844 OE2 GLU A 57 15.049 4.401 -7.594 1.00 0.00 O ATOM 0 H GLU A 57 10.314 2.342 -7.445 1.00 0.00 H new ATOM 0 HA GLU A 57 12.184 4.294 -6.705 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.331 2.507 -8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.315 3.530 -9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.352 4.240 -10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.166 5.361 -8.935 1.00 0.00 H new ATOM 851 N LYS A 58 9.451 5.447 -8.008 1.00 0.00 N ATOM 852 CA LYS A 58 8.707 6.659 -8.329 1.00 0.00 C ATOM 853 C LYS A 58 7.468 6.787 -7.449 1.00 0.00 C ATOM 854 O LYS A 58 6.961 5.794 -6.927 1.00 0.00 O ATOM 855 CB LYS A 58 8.300 6.657 -9.804 1.00 0.00 C ATOM 856 CG LYS A 58 9.479 6.620 -10.760 1.00 0.00 C ATOM 857 CD LYS A 58 9.023 6.652 -12.210 1.00 0.00 C ATOM 858 CE LYS A 58 8.538 5.287 -12.672 1.00 0.00 C ATOM 859 NZ LYS A 58 9.663 4.421 -13.122 1.00 0.00 N ATOM 0 H LYS A 58 8.883 4.600 -7.975 1.00 0.00 H new ATOM 0 HA LYS A 58 9.356 7.514 -8.139 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.661 5.795 -9.995 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.704 7.547 -10.009 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.134 7.469 -10.565 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.065 5.718 -10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.222 7.382 -12.324 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.846 6.981 -12.844 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.005 4.796 -11.857 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.827 5.412 -13.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.291 3.500 -13.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.156 4.877 -13.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.329 4.281 -12.336 1.00 0.00 H new ATOM 873 N MET A 59 6.984 8.014 -7.289 1.00 0.00 N ATOM 874 CA MET A 59 5.802 8.270 -6.475 1.00 0.00 C ATOM 875 C MET A 59 4.558 7.663 -7.116 1.00 0.00 C ATOM 876 O MET A 59 3.787 6.966 -6.457 1.00 0.00 O ATOM 877 CB MET A 59 5.607 9.775 -6.279 1.00 0.00 C ATOM 878 CG MET A 59 5.572 10.557 -7.582 1.00 0.00 C ATOM 879 SD MET A 59 3.902 10.737 -8.239 1.00 0.00 S ATOM 880 CE MET A 59 3.098 11.598 -6.889 1.00 0.00 C ATOM 0 H MET A 59 7.392 8.847 -7.713 1.00 0.00 H new ATOM 0 HA MET A 59 5.953 7.801 -5.503 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.677 9.945 -5.737 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.414 10.160 -5.655 1.00 0.00 H new ATOM 0 HG2 MET A 59 6.003 11.545 -7.420 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.196 10.054 -8.320 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.327 12.258 -7.286 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.642 10.873 -6.215 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.835 12.188 -6.343 1.00 0.00 H new ATOM 890 N GLU A 60 4.370 7.933 -8.404 1.00 0.00 N ATOM 891 CA GLU A 60 3.218 7.414 -9.132 1.00 0.00 C ATOM 892 C GLU A 60 2.858 6.011 -8.651 1.00 0.00 C ATOM 893 O GLU A 60 1.707 5.737 -8.311 1.00 0.00 O ATOM 894 CB GLU A 60 3.505 7.392 -10.635 1.00 0.00 C ATOM 895 CG GLU A 60 4.678 6.506 -11.018 1.00 0.00 C ATOM 896 CD GLU A 60 5.030 6.608 -12.489 1.00 0.00 C ATOM 897 OE1 GLU A 60 4.907 7.716 -13.053 1.00 0.00 O ATOM 898 OE2 GLU A 60 5.428 5.581 -13.077 1.00 0.00 O ATOM 0 H GLU A 60 5.000 8.507 -8.964 1.00 0.00 H new ATOM 0 HA GLU A 60 2.371 8.073 -8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.614 7.049 -11.161 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.703 8.409 -10.973 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.547 6.782 -10.420 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.440 5.470 -10.776 1.00 0.00 H new ATOM 905 N SER A 61 3.850 5.127 -8.628 1.00 0.00 N ATOM 906 CA SER A 61 3.638 3.751 -8.193 1.00 0.00 C ATOM 907 C SER A 61 2.959 3.711 -6.828 1.00 0.00 C ATOM 908 O SER A 61 1.939 3.046 -6.649 1.00 0.00 O ATOM 909 CB SER A 61 4.970 3.001 -8.135 1.00 0.00 C ATOM 910 OG SER A 61 5.564 2.916 -9.419 1.00 0.00 O ATOM 0 H SER A 61 4.808 5.339 -8.905 1.00 0.00 H new ATOM 0 HA SER A 61 2.986 3.264 -8.918 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.648 3.510 -7.450 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.810 1.999 -7.738 1.00 0.00 H new ATOM 0 HG SER A 61 6.415 2.434 -9.355 1.00 0.00 H new ATOM 916 N ALA A 62 3.533 4.429 -5.867 1.00 0.00 N ATOM 917 CA ALA A 62 2.983 4.478 -4.518 1.00 0.00 C ATOM 918 C ALA A 62 1.461 4.578 -4.549 1.00 0.00 C ATOM 919 O ALA A 62 0.761 3.672 -4.096 1.00 0.00 O ATOM 920 CB ALA A 62 3.575 5.649 -3.749 1.00 0.00 C ATOM 0 H ALA A 62 4.378 4.984 -5.998 1.00 0.00 H new ATOM 0 HA ALA A 62 3.250 3.552 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.155 5.673 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.657 5.534 -3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.337 6.580 -4.264 1.00 0.00 H new ATOM 926 N ASP A 63 0.957 5.684 -5.084 1.00 0.00 N ATOM 927 CA ASP A 63 -0.482 5.902 -5.174 1.00 0.00 C ATOM 928 C ASP A 63 -1.159 4.761 -5.926 1.00 0.00 C ATOM 929 O ASP A 63 -2.188 4.244 -5.493 1.00 0.00 O ATOM 930 CB ASP A 63 -0.776 7.232 -5.869 1.00 0.00 C ATOM 931 CG ASP A 63 -0.897 7.085 -7.373 1.00 0.00 C ATOM 932 OD1 ASP A 63 -1.895 6.493 -7.833 1.00 0.00 O ATOM 933 OD2 ASP A 63 0.007 7.563 -8.090 1.00 0.00 O ATOM 0 H ASP A 63 1.523 6.444 -5.462 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.883 5.934 -4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.701 7.649 -5.472 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.018 7.942 -5.639 1.00 0.00 H new ATOM 938 N GLN A 64 -0.574 4.374 -7.056 1.00 0.00 N ATOM 939 CA GLN A 64 -1.123 3.295 -7.869 1.00 0.00 C ATOM 940 C GLN A 64 -1.370 2.049 -7.025 1.00 0.00 C ATOM 941 O GLN A 64 -2.511 1.623 -6.850 1.00 0.00 O ATOM 942 CB GLN A 64 -0.173 2.964 -9.022 1.00 0.00 C ATOM 943 CG GLN A 64 -0.325 3.888 -10.219 1.00 0.00 C ATOM 944 CD GLN A 64 0.132 3.245 -11.514 1.00 0.00 C ATOM 945 OE1 GLN A 64 -0.666 3.019 -12.424 1.00 0.00 O ATOM 946 NE2 GLN A 64 1.423 2.947 -11.603 1.00 0.00 N ATOM 0 H GLN A 64 0.279 4.791 -7.429 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.077 3.630 -8.277 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.854 3.016 -8.662 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.347 1.937 -9.342 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.370 4.185 -10.314 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.250 4.798 -10.047 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.049 3.152 -10.824 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.789 2.513 -12.450 1.00 0.00 H new ATOM 955 N ALA A 65 -0.294 1.470 -6.504 1.00 0.00 N ATOM 956 CA ALA A 65 -0.395 0.274 -5.677 1.00 0.00 C ATOM 957 C ALA A 65 -1.475 0.432 -4.612 1.00 0.00 C ATOM 958 O ALA A 65 -2.413 -0.362 -4.542 1.00 0.00 O ATOM 959 CB ALA A 65 0.947 -0.035 -5.029 1.00 0.00 C ATOM 0 H ALA A 65 0.658 1.810 -6.640 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.676 -0.560 -6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.857 -0.931 -4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.696 -0.201 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.251 0.805 -4.404 1.00 0.00 H new ATOM 965 N VAL A 66 -1.336 1.463 -3.784 1.00 0.00 N ATOM 966 CA VAL A 66 -2.301 1.725 -2.722 1.00 0.00 C ATOM 967 C VAL A 66 -3.715 1.834 -3.280 1.00 0.00 C ATOM 968 O VAL A 66 -4.694 1.746 -2.539 1.00 0.00 O ATOM 969 CB VAL A 66 -1.959 3.021 -1.962 1.00 0.00 C ATOM 970 CG1 VAL A 66 -3.181 3.543 -1.221 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.803 2.785 -1.001 1.00 0.00 C ATOM 0 H VAL A 66 -0.565 2.130 -3.828 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.250 0.883 -2.032 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.652 3.776 -2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.921 4.459 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.978 3.751 -1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.521 2.793 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.574 3.710 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.080 2.015 -0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.075 2.460 -1.560 1.00 0.00 H new ATOM 981 N ALA A 67 -3.816 2.027 -4.591 1.00 0.00 N ATOM 982 CA ALA A 67 -5.111 2.145 -5.249 1.00 0.00 C ATOM 983 C ALA A 67 -5.611 0.786 -5.725 1.00 0.00 C ATOM 984 O ALA A 67 -6.809 0.506 -5.683 1.00 0.00 O ATOM 985 CB ALA A 67 -5.023 3.116 -6.417 1.00 0.00 C ATOM 0 H ALA A 67 -3.016 2.105 -5.219 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.826 2.531 -4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.997 3.194 -6.899 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.719 4.097 -6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.290 2.753 -7.137 1.00 0.00 H new ATOM 991 N GLU A 68 -4.686 -0.054 -6.179 1.00 0.00 N ATOM 992 CA GLU A 68 -5.035 -1.384 -6.664 1.00 0.00 C ATOM 993 C GLU A 68 -4.808 -2.436 -5.582 1.00 0.00 C ATOM 994 O GLU A 68 -5.731 -3.154 -5.194 1.00 0.00 O ATOM 995 CB GLU A 68 -4.212 -1.730 -7.908 1.00 0.00 C ATOM 996 CG GLU A 68 -4.493 -0.824 -9.094 1.00 0.00 C ATOM 997 CD GLU A 68 -5.797 -1.162 -9.791 1.00 0.00 C ATOM 998 OE1 GLU A 68 -5.801 -2.095 -10.621 1.00 0.00 O ATOM 999 OE2 GLU A 68 -6.812 -0.494 -9.506 1.00 0.00 O ATOM 0 H GLU A 68 -3.690 0.163 -6.221 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.093 -1.380 -6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.152 -1.672 -7.660 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.416 -2.762 -8.193 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.524 0.212 -8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.673 -0.902 -9.808 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.573 -2.521 -5.099 1.00 0.00 N ATOM 1007 CA LEU A 69 -3.223 -3.486 -4.062 1.00 0.00 C ATOM 1008 C LEU A 69 -4.136 -3.336 -2.849 1.00 0.00 C ATOM 1009 O LEU A 69 -4.370 -4.295 -2.115 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.764 -3.304 -3.641 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.712 -3.813 -4.628 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.619 -4.030 -3.924 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -1.183 -5.098 -5.292 1.00 0.00 C ATOM 0 H LEU A 69 -2.798 -1.934 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.355 -4.487 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.587 -2.243 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.615 -3.812 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.571 -3.059 -5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.355 -4.392 -4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.962 -3.088 -3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.495 -4.766 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.423 -5.446 -5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.352 -5.860 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.112 -4.910 -5.830 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.651 -2.128 -2.647 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.540 -1.853 -1.525 1.00 0.00 C ATOM 1027 C ASN A 70 -6.684 -2.862 -1.477 1.00 0.00 C ATOM 1028 O ASN A 70 -7.533 -2.896 -2.367 1.00 0.00 O ATOM 1029 CB ASN A 70 -6.102 -0.434 -1.627 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.483 -0.312 -1.013 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -7.751 -0.867 0.053 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -8.367 0.415 -1.685 1.00 0.00 N ATOM 0 H ASN A 70 -4.468 -1.323 -3.246 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.961 -1.942 -0.606 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.424 0.259 -1.129 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.146 -0.138 -2.675 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.313 0.532 -1.322 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.100 0.857 -2.565 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.699 -3.683 -0.431 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.743 -4.681 -0.287 1.00 0.00 C ATOM 1041 C GLY A 71 -7.794 -5.640 -1.460 1.00 0.00 C ATOM 1042 O GLY A 71 -8.866 -6.111 -1.841 1.00 0.00 O ATOM 0 H GLY A 71 -6.007 -3.675 0.319 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.579 -5.244 0.632 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.707 -4.182 -0.187 1.00 0.00 H new ATOM 1046 N THR A 72 -6.632 -5.931 -2.035 1.00 0.00 N ATOM 1047 CA THR A 72 -6.548 -6.838 -3.173 1.00 0.00 C ATOM 1048 C THR A 72 -6.320 -8.274 -2.716 1.00 0.00 C ATOM 1049 O THR A 72 -5.898 -8.515 -1.585 1.00 0.00 O ATOM 1050 CB THR A 72 -5.415 -6.431 -4.134 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.655 -6.981 -5.435 1.00 0.00 O ATOM 1052 CG2 THR A 72 -4.068 -6.910 -3.616 1.00 0.00 C ATOM 0 H THR A 72 -5.735 -5.552 -1.731 1.00 0.00 H new ATOM 0 HA THR A 72 -7.501 -6.774 -3.699 1.00 0.00 H new ATOM 0 HB THR A 72 -5.396 -5.343 -4.198 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.931 -6.716 -6.041 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.284 -6.611 -4.311 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.875 -6.467 -2.639 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.078 -7.996 -3.526 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.600 -9.224 -3.602 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.425 -10.637 -3.288 1.00 0.00 C ATOM 1062 C GLN A 73 -5.442 -11.292 -4.253 1.00 0.00 C ATOM 1063 O GLN A 73 -5.817 -11.711 -5.348 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.770 -11.364 -3.340 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.776 -12.687 -2.593 1.00 0.00 C ATOM 1066 CD GLN A 73 -8.992 -13.533 -2.913 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -10.033 -13.417 -2.265 1.00 0.00 O ATOM 1068 NE2 GLN A 73 -8.868 -14.392 -3.919 1.00 0.00 N ATOM 0 H GLN A 73 -6.949 -9.041 -4.543 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.019 -10.711 -2.279 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.540 -10.716 -2.921 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.037 -11.543 -4.382 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.874 -13.245 -2.843 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.744 -12.494 -1.521 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.987 -14.456 -4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.654 -14.988 -4.181 1.00 0.00 H new ATOM 1077 N VAL A 74 -4.181 -11.376 -3.840 1.00 0.00 N ATOM 1078 CA VAL A 74 -3.144 -11.980 -4.668 1.00 0.00 C ATOM 1079 C VAL A 74 -2.562 -13.221 -4.001 1.00 0.00 C ATOM 1080 O VAL A 74 -2.367 -13.250 -2.786 1.00 0.00 O ATOM 1081 CB VAL A 74 -2.006 -10.983 -4.957 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.570 -9.615 -5.309 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -1.064 -10.891 -3.767 1.00 0.00 C ATOM 0 H VAL A 74 -3.853 -11.033 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.615 -12.265 -5.609 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.438 -11.345 -5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.751 -8.924 -5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.200 -9.698 -6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.164 -9.241 -4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.266 -10.182 -3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.617 -10.553 -2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.633 -11.872 -3.568 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.286 -14.243 -4.804 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.725 -15.488 -4.290 1.00 0.00 C ATOM 1095 C GLU A 75 -2.595 -16.055 -3.172 1.00 0.00 C ATOM 1096 O GLU A 75 -2.092 -16.669 -2.231 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.302 -15.258 -3.778 1.00 0.00 C ATOM 1098 CG GLU A 75 0.652 -14.740 -4.842 1.00 0.00 C ATOM 1099 CD GLU A 75 0.969 -15.781 -5.898 1.00 0.00 C ATOM 1100 OE1 GLU A 75 1.858 -16.623 -5.652 1.00 0.00 O ATOM 1101 OE2 GLU A 75 0.329 -15.754 -6.970 1.00 0.00 O ATOM 0 H GLU A 75 -2.441 -14.234 -5.812 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.697 -16.210 -5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.333 -14.547 -2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.087 -16.194 -3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.215 -13.864 -5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.578 -14.416 -4.367 1.00 0.00 H new ATOM 1108 N SER A 76 -3.902 -15.843 -3.282 1.00 0.00 N ATOM 1109 CA SER A 76 -4.842 -16.329 -2.278 1.00 0.00 C ATOM 1110 C SER A 76 -4.594 -15.657 -0.931 1.00 0.00 C ATOM 1111 O SER A 76 -4.846 -16.241 0.123 1.00 0.00 O ATOM 1112 CB SER A 76 -4.726 -17.848 -2.132 1.00 0.00 C ATOM 1113 OG SER A 76 -5.604 -18.514 -3.022 1.00 0.00 O ATOM 0 H SER A 76 -4.334 -15.338 -4.056 1.00 0.00 H new ATOM 0 HA SER A 76 -5.850 -16.079 -2.609 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.700 -18.158 -2.329 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.955 -18.136 -1.106 1.00 0.00 H new ATOM 0 HG SER A 76 -5.510 -19.483 -2.911 1.00 0.00 H new ATOM 1119 N VAL A 77 -4.098 -14.425 -0.974 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.816 -13.671 0.242 1.00 0.00 C ATOM 1121 C VAL A 77 -4.255 -12.218 0.102 1.00 0.00 C ATOM 1122 O VAL A 77 -3.854 -11.526 -0.834 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.317 -13.712 0.593 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -2.025 -12.822 1.791 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -1.871 -15.142 0.857 1.00 0.00 C ATOM 0 H VAL A 77 -3.883 -13.927 -1.838 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.382 -14.142 1.045 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.751 -13.331 -0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.961 -12.864 2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.306 -11.795 1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.599 -13.169 2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.809 -15.152 1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.441 -15.553 1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.043 -15.747 -0.033 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.080 -11.761 1.039 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.573 -10.389 1.019 1.00 0.00 C ATOM 1137 C GLN A 78 -4.513 -9.422 1.536 1.00 0.00 C ATOM 1138 O GLN A 78 -4.115 -9.485 2.700 1.00 0.00 O ATOM 1139 CB GLN A 78 -6.844 -10.270 1.862 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.121 -10.517 1.076 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.231 -11.093 1.932 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -9.244 -10.921 3.151 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -10.172 -11.783 1.297 1.00 0.00 N ATOM 0 H GLN A 78 -5.421 -12.321 1.821 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.804 -10.127 -0.014 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.791 -10.981 2.686 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.886 -9.274 2.303 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.458 -9.579 0.634 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.910 -11.200 0.253 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.122 -11.901 0.285 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.944 -12.195 1.821 1.00 0.00 H new ATOM 1152 N LEU A 79 -4.059 -8.529 0.664 1.00 0.00 N ATOM 1153 CA LEU A 79 -3.044 -7.548 1.032 1.00 0.00 C ATOM 1154 C LEU A 79 -3.660 -6.162 1.195 1.00 0.00 C ATOM 1155 O LEU A 79 -4.542 -5.769 0.431 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.939 -7.507 -0.024 1.00 0.00 C ATOM 1157 CG LEU A 79 -1.043 -8.743 -0.107 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.060 -8.535 -1.133 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -0.451 -9.064 1.258 1.00 0.00 C ATOM 0 H LEU A 79 -4.377 -8.464 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.613 -7.848 1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.401 -7.352 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.309 -6.639 0.172 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.652 -9.589 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.688 -9.425 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.383 -8.354 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.668 -7.677 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.184 -9.947 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.143 -8.219 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.256 -9.257 1.967 1.00 0.00 H new ATOM 1171 N LYS A 80 -3.188 -5.423 2.193 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.689 -4.079 2.455 1.00 0.00 C ATOM 1173 C LYS A 80 -2.556 -3.058 2.411 1.00 0.00 C ATOM 1174 O LYS A 80 -1.711 -3.016 3.305 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.384 -4.028 3.817 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.580 -4.957 3.925 1.00 0.00 C ATOM 1177 CD LYS A 80 -5.970 -5.199 5.374 1.00 0.00 C ATOM 1178 CE LYS A 80 -7.386 -5.742 5.487 1.00 0.00 C ATOM 1179 NZ LYS A 80 -8.402 -4.654 5.438 1.00 0.00 N ATOM 0 H LYS A 80 -2.458 -5.733 2.835 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.410 -3.829 1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.663 -4.286 4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.710 -3.006 4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.425 -4.528 3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.347 -5.908 3.446 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.272 -5.903 5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.891 -4.267 5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.570 -6.448 4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.490 -6.294 6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.354 -5.064 5.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.242 -3.994 6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.320 -4.143 4.536 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.546 -2.237 1.366 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.518 -1.215 1.208 1.00 0.00 C ATOM 1195 C VAL A 81 -2.090 0.180 1.440 1.00 0.00 C ATOM 1196 O VAL A 81 -3.197 0.488 1.002 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.882 -1.270 -0.194 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.445 -0.528 -0.208 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.701 -2.713 -0.639 1.00 0.00 C ATOM 0 H VAL A 81 -3.238 -2.259 0.617 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.751 -1.420 1.955 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.552 -0.778 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.879 -0.578 -1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.282 0.515 0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.127 -0.988 0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.251 -2.734 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.051 -3.232 0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.671 -3.208 -0.670 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.326 1.019 2.132 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.757 2.382 2.422 1.00 0.00 C ATOM 1211 C ASN A 82 -0.568 3.338 2.429 1.00 0.00 C ATOM 1212 O ASN A 82 0.525 2.982 2.871 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.476 2.434 3.771 1.00 0.00 C ATOM 1214 CG ASN A 82 -3.824 1.740 3.736 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -4.597 1.910 2.793 1.00 0.00 O ATOM 1216 ND2 ASN A 82 -4.111 0.953 4.766 1.00 0.00 N ATOM 0 H ASN A 82 -0.406 0.779 2.502 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.447 2.694 1.638 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.850 1.967 4.531 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -2.614 3.474 4.066 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.003 0.459 4.798 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -3.439 0.842 5.526 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.789 4.552 1.938 1.00 0.00 N ATOM 1224 CA ILE A 83 0.263 5.560 1.889 1.00 0.00 C ATOM 1225 C ILE A 83 0.610 6.060 3.287 1.00 0.00 C ATOM 1226 O ILE A 83 -0.075 6.922 3.837 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.146 6.759 1.014 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -0.594 6.280 -0.369 1.00 0.00 C ATOM 1229 CG2 ILE A 83 1.007 7.743 0.891 1.00 0.00 C ATOM 1230 CD1 ILE A 83 0.555 5.928 -1.288 1.00 0.00 C ATOM 0 H ILE A 83 -1.688 4.862 1.568 1.00 0.00 H new ATOM 0 HA ILE A 83 1.138 5.082 1.449 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.984 7.268 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.236 5.407 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.197 7.058 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.702 8.585 0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.284 8.105 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.863 7.246 0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.163 5.597 -2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.185 6.805 -1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.146 5.128 -0.842 1.00 0.00 H new ATOM 1242 N ALA A 84 1.679 5.514 3.857 1.00 0.00 N ATOM 1243 CA ALA A 84 2.120 5.908 5.190 1.00 0.00 C ATOM 1244 C ALA A 84 2.518 7.380 5.224 1.00 0.00 C ATOM 1245 O ALA A 84 3.688 7.720 5.048 1.00 0.00 O ATOM 1246 CB ALA A 84 3.281 5.034 5.641 1.00 0.00 C ATOM 0 H ALA A 84 2.256 4.797 3.417 1.00 0.00 H new ATOM 0 HA ALA A 84 1.286 5.769 5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.600 5.339 6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.964 3.991 5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.112 5.145 4.944 1.00 0.00 H new