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 25 MET CE :methyl 179:sc= -1.5 (180deg=-1.51) USER MOD Set 1.2: A 45 MET CE :methyl -153:sc= -3.96 (180deg=-7.22!) USER MOD Set 2.1: A 19 TYR OH : rot 99:sc= 0.356 USER MOD Set 2.2: A 51 CYS SG : rot 24:sc= -1.17 USER MOD Single : A 16 ASN :FLIP amide:sc= -3.55! F(o=-4.5,f=-3.5!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 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= 0.00141 X(o=0.0014,f=-0.088) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.9) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.426 USER MOD Single : A 56 TYR OH : rot -27:sc= -0.539 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -106:sc= 0.338 USER MOD Single : A 64 GLN : amide:sc= -0.122 K(o=-0.12,f=-2.1!) USER MOD Single : A 70 ASN : amide:sc= -0.0381 X(o=-0.038,f=-0.45) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.023 K(o=-0.023,f=-0.71) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 206 N ASN A 16 6.672 7.753 -1.336 1.00 0.00 N ATOM 207 CA ASN A 16 7.337 6.684 -2.072 1.00 0.00 C ATOM 208 C ASN A 16 7.166 5.345 -1.360 1.00 0.00 C ATOM 209 O ASN A 16 7.150 4.289 -1.993 1.00 0.00 O ATOM 210 CB ASN A 16 8.825 7.000 -2.238 1.00 0.00 C ATOM 211 CG ASN A 16 9.406 6.399 -3.503 1.00 0.00 C ATOM 212 OD1 ASN A 16 10.612 5.854 -3.400 1.00 0.00 O flip ATOM 213 ND2 ASN A 16 8.777 6.426 -4.562 1.00 0.00 N flip ATOM 0 HA ASN A 16 6.875 6.613 -3.057 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.964 8.081 -2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.372 6.622 -1.375 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.852 6.856 -4.595 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.181 6.019 -5.406 1.00 0.00 H new ATOM 220 N THR A 17 7.039 5.397 -0.037 1.00 0.00 N ATOM 221 CA THR A 17 6.870 4.189 0.762 1.00 0.00 C ATOM 222 C THR A 17 5.403 3.784 0.842 1.00 0.00 C ATOM 223 O THR A 17 4.508 4.615 0.679 1.00 0.00 O ATOM 224 CB THR A 17 7.417 4.380 2.189 1.00 0.00 C ATOM 225 OG1 THR A 17 8.637 5.128 2.150 1.00 0.00 O ATOM 226 CG2 THR A 17 7.662 3.035 2.858 1.00 0.00 C ATOM 0 H THR A 17 7.050 6.262 0.503 1.00 0.00 H new ATOM 0 HA THR A 17 7.435 3.400 0.266 1.00 0.00 H new ATOM 0 HB THR A 17 6.674 4.928 2.769 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.977 5.247 3.061 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.048 3.194 3.865 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.726 2.480 2.912 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.388 2.466 2.277 1.00 0.00 H new ATOM 234 N LEU A 18 5.161 2.503 1.095 1.00 0.00 N ATOM 235 CA LEU A 18 3.800 1.987 1.199 1.00 0.00 C ATOM 236 C LEU A 18 3.678 1.002 2.357 1.00 0.00 C ATOM 237 O LEU A 18 4.443 0.043 2.453 1.00 0.00 O ATOM 238 CB LEU A 18 3.391 1.306 -0.109 1.00 0.00 C ATOM 239 CG LEU A 18 3.842 1.999 -1.396 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.434 1.183 -2.612 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.263 3.404 -1.475 1.00 0.00 C ATOM 0 H LEU A 18 5.889 1.802 1.232 1.00 0.00 H new ATOM 0 HA LEU A 18 3.133 2.828 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.790 0.292 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.304 1.221 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 18 4.929 2.076 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.763 1.691 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.896 0.197 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.350 1.075 -2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.594 3.883 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.174 3.350 -1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.605 3.987 -0.620 1.00 0.00 H new ATOM 253 N TYR A 19 2.709 1.245 3.233 1.00 0.00 N ATOM 254 CA TYR A 19 2.486 0.380 4.385 1.00 0.00 C ATOM 255 C TYR A 19 1.628 -0.823 4.006 1.00 0.00 C ATOM 256 O TYR A 19 0.409 -0.713 3.869 1.00 0.00 O ATOM 257 CB TYR A 19 1.815 1.163 5.515 1.00 0.00 C ATOM 258 CG TYR A 19 1.847 0.451 6.848 1.00 0.00 C ATOM 259 CD1 TYR A 19 0.852 -0.453 7.199 1.00 0.00 C ATOM 260 CD2 TYR A 19 2.873 0.681 7.756 1.00 0.00 C ATOM 261 CE1 TYR A 19 0.877 -1.106 8.417 1.00 0.00 C ATOM 262 CE2 TYR A 19 2.908 0.032 8.975 1.00 0.00 C ATOM 263 CZ TYR A 19 1.907 -0.860 9.301 1.00 0.00 C ATOM 264 OH TYR A 19 1.937 -1.510 10.514 1.00 0.00 O ATOM 0 H TYR A 19 2.066 2.034 3.167 1.00 0.00 H new ATOM 0 HA TYR A 19 3.455 0.018 4.728 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.307 2.130 5.617 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.778 1.360 5.243 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.045 -0.649 6.508 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.657 1.380 7.504 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.095 -1.805 8.675 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.714 0.222 9.669 1.00 0.00 H new ATOM 0 HH TYR A 19 2.544 -2.278 10.459 1.00 0.00 H new ATOM 274 N VAL A 20 2.273 -1.972 3.837 1.00 0.00 N ATOM 275 CA VAL A 20 1.571 -3.198 3.475 1.00 0.00 C ATOM 276 C VAL A 20 1.259 -4.038 4.708 1.00 0.00 C ATOM 277 O VAL A 20 2.032 -4.063 5.666 1.00 0.00 O ATOM 278 CB VAL A 20 2.393 -4.044 2.485 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.599 -5.262 2.036 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.816 -3.204 1.289 1.00 0.00 C ATOM 0 H VAL A 20 3.281 -2.080 3.945 1.00 0.00 H new ATOM 0 HA VAL A 20 0.638 -2.899 2.998 1.00 0.00 H new ATOM 0 HB VAL A 20 3.293 -4.392 2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.196 -5.848 1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.351 -5.874 2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.681 -4.938 1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.396 -3.818 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.930 -2.824 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.425 -2.367 1.630 1.00 0.00 H new ATOM 290 N TYR A 21 0.123 -4.724 4.678 1.00 0.00 N ATOM 291 CA TYR A 21 -0.293 -5.565 5.794 1.00 0.00 C ATOM 292 C TYR A 21 -0.815 -6.910 5.299 1.00 0.00 C ATOM 293 O TYR A 21 -1.623 -6.972 4.373 1.00 0.00 O ATOM 294 CB TYR A 21 -1.370 -4.858 6.618 1.00 0.00 C ATOM 295 CG TYR A 21 -1.982 -5.731 7.691 1.00 0.00 C ATOM 296 CD1 TYR A 21 -3.008 -6.618 7.391 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.534 -5.668 9.005 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.570 -7.417 8.368 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.089 -6.464 9.988 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.107 -7.337 9.664 1.00 0.00 C ATOM 301 OH TYR A 21 -3.664 -8.131 10.641 1.00 0.00 O ATOM 0 H TYR A 21 -0.527 -4.715 3.892 1.00 0.00 H new ATOM 0 HA TYR A 21 0.578 -5.745 6.424 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.936 -3.973 7.085 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.158 -4.512 5.950 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.373 -6.684 6.377 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.738 -4.985 9.262 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.368 -8.101 8.118 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.728 -6.403 11.004 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.223 -7.953 11.498 1.00 0.00 H new ATOM 311 N GLY A 22 -0.347 -7.986 5.925 1.00 0.00 N ATOM 312 CA GLY A 22 -0.778 -9.316 5.535 1.00 0.00 C ATOM 313 C GLY A 22 -0.732 -10.300 6.687 1.00 0.00 C ATOM 314 O GLY A 22 -0.343 -9.946 7.799 1.00 0.00 O ATOM 0 H GLY A 22 0.322 -7.960 6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.794 -9.266 5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.143 -9.678 4.726 1.00 0.00 H new ATOM 318 N GLU A 23 -1.132 -11.540 6.420 1.00 0.00 N ATOM 319 CA GLU A 23 -1.137 -12.577 7.445 1.00 0.00 C ATOM 320 C GLU A 23 -0.360 -13.805 6.980 1.00 0.00 C ATOM 321 O GLU A 23 0.490 -14.326 7.703 1.00 0.00 O ATOM 322 CB GLU A 23 -2.574 -12.972 7.795 1.00 0.00 C ATOM 323 CG GLU A 23 -3.483 -11.785 8.064 1.00 0.00 C ATOM 324 CD GLU A 23 -4.852 -12.201 8.566 1.00 0.00 C ATOM 325 OE1 GLU A 23 -5.649 -12.718 7.754 1.00 0.00 O ATOM 326 OE2 GLU A 23 -5.127 -12.010 9.768 1.00 0.00 O ATOM 0 H GLU A 23 -1.456 -11.850 5.504 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.651 -12.176 8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.990 -13.559 6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.561 -13.616 8.675 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.013 -11.132 8.800 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.597 -11.204 7.149 1.00 0.00 H new ATOM 333 N ASP A 24 -0.657 -14.262 5.768 1.00 0.00 N ATOM 334 CA ASP A 24 0.014 -15.428 5.205 1.00 0.00 C ATOM 335 C ASP A 24 0.764 -15.060 3.929 1.00 0.00 C ATOM 336 O ASP A 24 0.676 -15.762 2.922 1.00 0.00 O ATOM 337 CB ASP A 24 -1.000 -16.536 4.915 1.00 0.00 C ATOM 338 CG ASP A 24 -1.454 -17.250 6.173 1.00 0.00 C ATOM 339 OD1 ASP A 24 -2.232 -16.652 6.946 1.00 0.00 O ATOM 340 OD2 ASP A 24 -1.030 -18.405 6.386 1.00 0.00 O ATOM 0 H ASP A 24 -1.358 -13.843 5.157 1.00 0.00 H new ATOM 0 HA ASP A 24 0.736 -15.790 5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.867 -16.108 4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.557 -17.259 4.230 1.00 0.00 H new ATOM 345 N MET A 25 1.499 -13.954 3.978 1.00 0.00 N ATOM 346 CA MET A 25 2.264 -13.493 2.825 1.00 0.00 C ATOM 347 C MET A 25 3.761 -13.538 3.113 1.00 0.00 C ATOM 348 O MET A 25 4.183 -13.526 4.270 1.00 0.00 O ATOM 349 CB MET A 25 1.848 -12.071 2.446 1.00 0.00 C ATOM 350 CG MET A 25 1.379 -11.239 3.629 1.00 0.00 C ATOM 351 SD MET A 25 2.657 -11.032 4.884 1.00 0.00 S ATOM 352 CE MET A 25 2.836 -9.250 4.893 1.00 0.00 C ATOM 0 H MET A 25 1.581 -13.360 4.803 1.00 0.00 H new ATOM 0 HA MET A 25 2.053 -14.160 1.989 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.691 -11.569 1.971 1.00 0.00 H new ATOM 0 HB3 MET A 25 1.048 -12.120 1.707 1.00 0.00 H new ATOM 0 HG2 MET A 25 1.061 -10.258 3.275 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.507 -11.714 4.079 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.581 -8.963 5.635 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.156 -8.911 3.907 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.880 -8.790 5.142 1.00 0.00 H new ATOM 362 N THR A 26 4.562 -13.590 2.053 1.00 0.00 N ATOM 363 CA THR A 26 6.012 -13.639 2.192 1.00 0.00 C ATOM 364 C THR A 26 6.683 -12.581 1.323 1.00 0.00 C ATOM 365 O THR A 26 6.145 -12.148 0.304 1.00 0.00 O ATOM 366 CB THR A 26 6.567 -15.025 1.814 1.00 0.00 C ATOM 367 OG1 THR A 26 5.791 -15.589 0.750 1.00 0.00 O ATOM 368 CG2 THR A 26 6.549 -15.960 3.013 1.00 0.00 C ATOM 0 H THR A 26 4.230 -13.599 1.088 1.00 0.00 H new ATOM 0 HA THR A 26 6.236 -13.441 3.240 1.00 0.00 H new ATOM 0 HB THR A 26 7.599 -14.902 1.485 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.151 -16.469 0.514 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.945 -16.933 2.722 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.164 -15.541 3.810 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.525 -16.077 3.368 1.00 0.00 H new ATOM 376 N PRO A 27 7.887 -12.154 1.733 1.00 0.00 N ATOM 377 CA PRO A 27 8.658 -11.142 1.005 1.00 0.00 C ATOM 378 C PRO A 27 8.734 -11.436 -0.490 1.00 0.00 C ATOM 379 O PRO A 27 8.249 -10.658 -1.312 1.00 0.00 O ATOM 380 CB PRO A 27 10.048 -11.232 1.639 1.00 0.00 C ATOM 381 CG PRO A 27 9.806 -11.758 3.012 1.00 0.00 C ATOM 382 CD PRO A 27 8.588 -12.627 2.939 1.00 0.00 C ATOM 0 HA PRO A 27 8.205 -10.153 1.077 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.700 -11.895 1.070 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.533 -10.256 1.669 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.666 -12.328 3.364 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.655 -10.941 3.717 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.854 -13.681 2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.968 -12.521 3.829 1.00 0.00 H new ATOM 390 N THR A 28 9.346 -12.565 -0.836 1.00 0.00 N ATOM 391 CA THR A 28 9.486 -12.961 -2.231 1.00 0.00 C ATOM 392 C THR A 28 8.173 -12.788 -2.986 1.00 0.00 C ATOM 393 O THR A 28 8.167 -12.504 -4.185 1.00 0.00 O ATOM 394 CB THR A 28 9.948 -14.425 -2.356 1.00 0.00 C ATOM 395 OG1 THR A 28 11.242 -14.582 -1.762 1.00 0.00 O ATOM 396 CG2 THR A 28 9.999 -14.854 -3.815 1.00 0.00 C ATOM 0 H THR A 28 9.752 -13.221 -0.169 1.00 0.00 H new ATOM 0 HA THR A 28 10.243 -12.311 -2.670 1.00 0.00 H new ATOM 0 HB THR A 28 9.229 -15.056 -1.833 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.528 -15.516 -1.844 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.328 -15.891 -3.878 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.007 -14.760 -4.257 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.699 -14.218 -4.357 1.00 0.00 H new ATOM 404 N LEU A 29 7.062 -12.962 -2.279 1.00 0.00 N ATOM 405 CA LEU A 29 5.741 -12.825 -2.883 1.00 0.00 C ATOM 406 C LEU A 29 5.455 -11.370 -3.241 1.00 0.00 C ATOM 407 O LEU A 29 5.038 -11.065 -4.359 1.00 0.00 O ATOM 408 CB LEU A 29 4.666 -13.348 -1.929 1.00 0.00 C ATOM 409 CG LEU A 29 3.318 -13.695 -2.563 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.486 -14.545 -1.616 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.567 -12.428 -2.945 1.00 0.00 C ATOM 0 H LEU A 29 7.049 -13.198 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 29 5.724 -13.416 -3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.051 -14.238 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.499 -12.598 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 29 3.502 -14.272 -3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.531 -14.782 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.020 -15.469 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.311 -13.994 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.610 -12.694 -3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.394 -11.825 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.158 -11.857 -3.661 1.00 0.00 H new ATOM 423 N LEU A 30 5.683 -10.475 -2.286 1.00 0.00 N ATOM 424 CA LEU A 30 5.452 -9.051 -2.501 1.00 0.00 C ATOM 425 C LEU A 30 6.333 -8.520 -3.627 1.00 0.00 C ATOM 426 O LEU A 30 5.956 -7.588 -4.338 1.00 0.00 O ATOM 427 CB LEU A 30 5.724 -8.270 -1.214 1.00 0.00 C ATOM 428 CG LEU A 30 5.149 -8.870 0.069 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.304 -7.898 1.229 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.686 -9.242 -0.125 1.00 0.00 C ATOM 0 H LEU A 30 6.028 -10.710 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 30 4.409 -8.917 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.803 -8.172 -1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.323 -7.263 -1.332 1.00 0.00 H new ATOM 0 HG LEU A 30 5.706 -9.777 0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.889 -8.342 2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.361 -7.681 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.773 -6.973 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.293 -9.668 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.115 -8.351 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.600 -9.975 -0.927 1.00 0.00 H new ATOM 442 N ARG A 31 7.508 -9.121 -3.786 1.00 0.00 N ATOM 443 CA ARG A 31 8.443 -8.709 -4.826 1.00 0.00 C ATOM 444 C ARG A 31 7.799 -8.810 -6.206 1.00 0.00 C ATOM 445 O ARG A 31 7.932 -7.908 -7.032 1.00 0.00 O ATOM 446 CB ARG A 31 9.706 -9.570 -4.777 1.00 0.00 C ATOM 447 CG ARG A 31 10.750 -9.064 -3.796 1.00 0.00 C ATOM 448 CD ARG A 31 12.152 -9.490 -4.205 1.00 0.00 C ATOM 449 NE ARG A 31 12.684 -8.657 -5.280 1.00 0.00 N ATOM 450 CZ ARG A 31 13.031 -7.384 -5.121 1.00 0.00 C ATOM 451 NH1 ARG A 31 12.902 -6.802 -3.937 1.00 0.00 N ATOM 452 NH2 ARG A 31 13.508 -6.692 -6.147 1.00 0.00 N ATOM 0 H ARG A 31 7.835 -9.895 -3.208 1.00 0.00 H new ATOM 0 HA ARG A 31 8.714 -7.669 -4.645 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.430 -10.589 -4.507 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.146 -9.612 -5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.701 -7.977 -3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.529 -9.445 -2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.815 -9.434 -3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.135 -10.531 -4.527 1.00 0.00 H new ATOM 0 HE ARG A 31 12.795 -9.075 -6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.536 -7.331 -3.146 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.169 -5.825 -3.817 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.609 -7.137 -7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.774 -5.715 -6.024 1.00 0.00 H new ATOM 466 N GLY A 32 7.100 -9.915 -6.448 1.00 0.00 N ATOM 467 CA GLY A 32 6.446 -10.114 -7.729 1.00 0.00 C ATOM 468 C GLY A 32 5.036 -9.558 -7.753 1.00 0.00 C ATOM 469 O GLY A 32 4.418 -9.462 -8.812 1.00 0.00 O ATOM 0 H GLY A 32 6.975 -10.676 -5.780 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.035 -9.636 -8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.417 -11.180 -7.957 1.00 0.00 H new ATOM 473 N ALA A 33 4.526 -9.192 -6.581 1.00 0.00 N ATOM 474 CA ALA A 33 3.181 -8.642 -6.472 1.00 0.00 C ATOM 475 C ALA A 33 3.194 -7.124 -6.621 1.00 0.00 C ATOM 476 O ALA A 33 2.246 -6.533 -7.140 1.00 0.00 O ATOM 477 CB ALA A 33 2.555 -9.039 -5.143 1.00 0.00 C ATOM 0 H ALA A 33 5.024 -9.267 -5.694 1.00 0.00 H new ATOM 0 HA ALA A 33 2.580 -9.055 -7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.550 -8.621 -5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.502 -10.126 -5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.164 -8.655 -4.325 1.00 0.00 H new ATOM 483 N PHE A 34 4.272 -6.499 -6.162 1.00 0.00 N ATOM 484 CA PHE A 34 4.408 -5.049 -6.243 1.00 0.00 C ATOM 485 C PHE A 34 5.194 -4.644 -7.486 1.00 0.00 C ATOM 486 O PHE A 34 5.006 -3.554 -8.025 1.00 0.00 O ATOM 487 CB PHE A 34 5.100 -4.510 -4.990 1.00 0.00 C ATOM 488 CG PHE A 34 4.202 -4.448 -3.788 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.787 -5.610 -3.157 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.774 -3.229 -3.288 1.00 0.00 C ATOM 491 CE1 PHE A 34 2.959 -5.556 -2.051 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.946 -3.169 -2.182 1.00 0.00 C ATOM 493 CZ PHE A 34 2.540 -4.334 -1.562 1.00 0.00 C ATOM 0 H PHE A 34 5.065 -6.973 -5.730 1.00 0.00 H new ATOM 0 HA PHE A 34 3.409 -4.619 -6.311 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.959 -5.140 -4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.484 -3.511 -5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.114 -6.568 -3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.091 -2.315 -3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.640 -6.469 -1.570 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.617 -2.212 -1.804 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.896 -4.290 -0.696 1.00 0.00 H new ATOM 503 N SER A 35 6.076 -5.532 -7.936 1.00 0.00 N ATOM 504 CA SER A 35 6.895 -5.266 -9.113 1.00 0.00 C ATOM 505 C SER A 35 6.027 -4.848 -10.296 1.00 0.00 C ATOM 506 O SER A 35 6.318 -3.882 -11.002 1.00 0.00 O ATOM 507 CB SER A 35 7.714 -6.505 -9.480 1.00 0.00 C ATOM 508 OG SER A 35 7.902 -6.595 -10.882 1.00 0.00 O ATOM 0 H SER A 35 6.241 -6.441 -7.504 1.00 0.00 H new ATOM 0 HA SER A 35 7.574 -4.447 -8.876 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.683 -6.465 -8.982 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.207 -7.400 -9.120 1.00 0.00 H new ATOM 0 HG SER A 35 8.430 -7.394 -11.091 1.00 0.00 H new ATOM 514 N PRO A 36 4.933 -5.593 -10.519 1.00 0.00 N ATOM 515 CA PRO A 36 3.999 -5.319 -11.615 1.00 0.00 C ATOM 516 C PRO A 36 3.603 -3.848 -11.685 1.00 0.00 C ATOM 517 O PRO A 36 3.163 -3.362 -12.727 1.00 0.00 O ATOM 518 CB PRO A 36 2.785 -6.184 -11.270 1.00 0.00 C ATOM 519 CG PRO A 36 3.334 -7.299 -10.448 1.00 0.00 C ATOM 520 CD PRO A 36 4.525 -6.758 -9.717 1.00 0.00 C ATOM 0 HA PRO A 36 4.436 -5.542 -12.589 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.038 -5.615 -10.716 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.298 -6.559 -12.170 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.585 -7.666 -9.747 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.619 -8.140 -11.080 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.271 -6.471 -8.696 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.323 -7.497 -9.651 1.00 0.00 H new ATOM 528 N PHE A 37 3.761 -3.143 -10.569 1.00 0.00 N ATOM 529 CA PHE A 37 3.419 -1.727 -10.505 1.00 0.00 C ATOM 530 C PHE A 37 4.630 -0.860 -10.837 1.00 0.00 C ATOM 531 O PHE A 37 4.490 0.248 -11.355 1.00 0.00 O ATOM 532 CB PHE A 37 2.889 -1.372 -9.114 1.00 0.00 C ATOM 533 CG PHE A 37 1.535 -1.952 -8.822 1.00 0.00 C ATOM 534 CD1 PHE A 37 1.413 -3.215 -8.267 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.384 -1.234 -9.104 1.00 0.00 C ATOM 536 CE1 PHE A 37 0.168 -3.752 -7.997 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.863 -1.765 -8.836 1.00 0.00 C ATOM 538 CZ PHE A 37 -0.972 -3.026 -8.283 1.00 0.00 C ATOM 0 H PHE A 37 4.124 -3.529 -9.697 1.00 0.00 H new ATOM 0 HA PHE A 37 2.641 -1.532 -11.243 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.596 -1.725 -8.364 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.839 -0.287 -9.019 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.301 -3.787 -8.042 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.463 -0.248 -9.538 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.087 -4.738 -7.563 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.752 -1.194 -9.059 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.946 -3.443 -8.075 1.00 0.00 H new ATOM 548 N GLY A 38 5.819 -1.372 -10.535 1.00 0.00 N ATOM 549 CA GLY A 38 7.037 -0.632 -10.807 1.00 0.00 C ATOM 550 C GLY A 38 8.279 -1.368 -10.345 1.00 0.00 C ATOM 551 O GLY A 38 8.381 -2.584 -10.500 1.00 0.00 O ATOM 0 H GLY A 38 5.960 -2.287 -10.107 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.110 -0.439 -11.877 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.988 0.337 -10.311 1.00 0.00 H new ATOM 555 N ASN A 39 9.226 -0.628 -9.777 1.00 0.00 N ATOM 556 CA ASN A 39 10.468 -1.218 -9.292 1.00 0.00 C ATOM 557 C ASN A 39 10.579 -1.087 -7.776 1.00 0.00 C ATOM 558 O ASN A 39 10.537 0.018 -7.235 1.00 0.00 O ATOM 559 CB ASN A 39 11.670 -0.549 -9.962 1.00 0.00 C ATOM 560 CG ASN A 39 12.989 -1.157 -9.524 1.00 0.00 C ATOM 561 OD1 ASN A 39 13.147 -2.378 -9.505 1.00 0.00 O ATOM 562 ND2 ASN A 39 13.944 -0.305 -9.168 1.00 0.00 N ATOM 0 H ASN A 39 9.157 0.381 -9.641 1.00 0.00 H new ATOM 0 HA ASN A 39 10.461 -2.278 -9.547 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.574 -0.636 -11.044 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.668 0.515 -9.727 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.852 -0.655 -8.863 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.769 0.699 -9.199 1.00 0.00 H new ATOM 569 N ILE A 40 10.720 -2.221 -7.098 1.00 0.00 N ATOM 570 CA ILE A 40 10.837 -2.232 -5.645 1.00 0.00 C ATOM 571 C ILE A 40 12.274 -1.964 -5.208 1.00 0.00 C ATOM 572 O ILE A 40 13.139 -2.833 -5.318 1.00 0.00 O ATOM 573 CB ILE A 40 10.375 -3.576 -5.053 1.00 0.00 C ATOM 574 CG1 ILE A 40 8.985 -3.940 -5.581 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.369 -3.511 -3.533 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.612 -5.388 -5.354 1.00 0.00 C ATOM 0 H ILE A 40 10.756 -3.144 -7.531 1.00 0.00 H new ATOM 0 HA ILE A 40 10.191 -1.438 -5.270 1.00 0.00 H new ATOM 0 HB ILE A 40 11.075 -4.352 -5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.244 -3.303 -5.099 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.943 -3.726 -6.649 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.040 -4.469 -3.129 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.375 -3.292 -3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.688 -2.726 -3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.615 -5.574 -5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.331 -6.033 -5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.621 -5.603 -4.285 1.00 0.00 H new ATOM 588 N ILE A 41 12.519 -0.757 -4.711 1.00 0.00 N ATOM 589 CA ILE A 41 13.850 -0.376 -4.254 1.00 0.00 C ATOM 590 C ILE A 41 14.004 -0.607 -2.755 1.00 0.00 C ATOM 591 O ILE A 41 15.119 -0.722 -2.245 1.00 0.00 O ATOM 592 CB ILE A 41 14.151 1.102 -4.568 1.00 0.00 C ATOM 593 CG1 ILE A 41 12.881 1.943 -4.435 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.740 1.237 -5.964 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.137 3.434 -4.467 1.00 0.00 C ATOM 0 H ILE A 41 11.814 -0.026 -4.614 1.00 0.00 H new ATOM 0 HA ILE A 41 14.560 -1.005 -4.791 1.00 0.00 H new ATOM 0 HB ILE A 41 14.883 1.470 -3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.196 1.683 -5.242 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.383 1.688 -3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 41 14.947 2.287 -6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.666 0.665 -6.025 1.00 0.00 H new ATOM 0 HG23 ILE A 41 14.029 0.856 -6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.192 3.968 -4.368 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.796 3.708 -3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.607 3.702 -5.413 1.00 0.00 H new ATOM 607 N ASP A 42 12.878 -0.676 -2.054 1.00 0.00 N ATOM 608 CA ASP A 42 12.886 -0.897 -0.612 1.00 0.00 C ATOM 609 C ASP A 42 11.712 -1.774 -0.190 1.00 0.00 C ATOM 610 O ASP A 42 10.565 -1.324 -0.164 1.00 0.00 O ATOM 611 CB ASP A 42 12.834 0.439 0.130 1.00 0.00 C ATOM 612 CG ASP A 42 13.537 0.384 1.472 1.00 0.00 C ATOM 613 OD1 ASP A 42 13.263 -0.556 2.248 1.00 0.00 O ATOM 614 OD2 ASP A 42 14.363 1.280 1.746 1.00 0.00 O ATOM 0 H ASP A 42 11.947 -0.582 -2.461 1.00 0.00 H new ATOM 0 HA ASP A 42 13.811 -1.412 -0.353 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.294 1.212 -0.486 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.794 0.728 0.280 1.00 0.00 H new ATOM 619 N LEU A 43 12.005 -3.027 0.139 1.00 0.00 N ATOM 620 CA LEU A 43 10.973 -3.969 0.560 1.00 0.00 C ATOM 621 C LEU A 43 11.376 -4.678 1.848 1.00 0.00 C ATOM 622 O LEU A 43 12.308 -5.482 1.861 1.00 0.00 O ATOM 623 CB LEU A 43 10.713 -4.997 -0.543 1.00 0.00 C ATOM 624 CG LEU A 43 10.036 -6.295 -0.103 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.758 -5.997 0.666 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.741 -7.177 -1.308 1.00 0.00 C ATOM 0 H LEU A 43 12.948 -3.415 0.123 1.00 0.00 H new ATOM 0 HA LEU A 43 10.058 -3.408 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.095 -4.530 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.665 -5.247 -1.011 1.00 0.00 H new ATOM 0 HG LEU A 43 10.717 -6.831 0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.290 -6.933 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.995 -5.405 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.072 -5.439 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.259 -8.097 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.079 -6.647 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.673 -7.419 -1.818 1.00 0.00 H new ATOM 638 N SER A 44 10.666 -4.377 2.931 1.00 0.00 N ATOM 639 CA SER A 44 10.950 -4.985 4.225 1.00 0.00 C ATOM 640 C SER A 44 9.727 -5.725 4.758 1.00 0.00 C ATOM 641 O SER A 44 8.591 -5.306 4.541 1.00 0.00 O ATOM 642 CB SER A 44 11.391 -3.917 5.228 1.00 0.00 C ATOM 643 OG SER A 44 11.953 -4.507 6.387 1.00 0.00 O ATOM 0 H SER A 44 9.890 -3.715 2.937 1.00 0.00 H new ATOM 0 HA SER A 44 11.758 -5.704 4.091 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.122 -3.256 4.762 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.536 -3.301 5.508 1.00 0.00 H new ATOM 0 HG SER A 44 12.228 -3.804 7.011 1.00 0.00 H new ATOM 649 N MET A 45 9.970 -6.829 5.457 1.00 0.00 N ATOM 650 CA MET A 45 8.889 -7.629 6.022 1.00 0.00 C ATOM 651 C MET A 45 9.151 -7.934 7.494 1.00 0.00 C ATOM 652 O MET A 45 10.267 -8.287 7.875 1.00 0.00 O ATOM 653 CB MET A 45 8.727 -8.933 5.240 1.00 0.00 C ATOM 654 CG MET A 45 7.830 -8.803 4.020 1.00 0.00 C ATOM 655 SD MET A 45 6.087 -9.055 4.410 1.00 0.00 S ATOM 656 CE MET A 45 5.703 -10.451 3.356 1.00 0.00 C ATOM 0 H MET A 45 10.905 -7.190 5.646 1.00 0.00 H new ATOM 0 HA MET A 45 7.967 -7.053 5.947 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.710 -9.281 4.923 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.317 -9.696 5.902 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.961 -7.814 3.581 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.139 -9.529 3.268 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.643 -10.435 3.103 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.295 -10.391 2.443 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.938 -11.378 3.880 1.00 0.00 H new ATOM 666 N ASP A 46 8.116 -7.795 8.315 1.00 0.00 N ATOM 667 CA ASP A 46 8.235 -8.056 9.745 1.00 0.00 C ATOM 668 C ASP A 46 7.085 -8.931 10.235 1.00 0.00 C ATOM 669 O ASP A 46 5.996 -8.449 10.549 1.00 0.00 O ATOM 670 CB ASP A 46 8.260 -6.741 10.526 1.00 0.00 C ATOM 671 CG ASP A 46 8.852 -6.902 11.912 1.00 0.00 C ATOM 672 OD1 ASP A 46 9.877 -7.604 12.042 1.00 0.00 O ATOM 673 OD2 ASP A 46 8.291 -6.325 12.867 1.00 0.00 O ATOM 0 H ASP A 46 7.186 -7.503 8.015 1.00 0.00 H new ATOM 0 HA ASP A 46 9.171 -8.588 9.915 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.839 -6.003 9.971 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.245 -6.353 10.610 1.00 0.00 H new ATOM 678 N PRO A 47 7.329 -10.248 10.300 1.00 0.00 N ATOM 679 CA PRO A 47 6.326 -11.218 10.750 1.00 0.00 C ATOM 680 C PRO A 47 5.645 -10.789 12.045 1.00 0.00 C ATOM 681 O PRO A 47 4.429 -10.896 12.200 1.00 0.00 O ATOM 682 CB PRO A 47 7.141 -12.495 10.971 1.00 0.00 C ATOM 683 CG PRO A 47 8.315 -12.357 10.064 1.00 0.00 C ATOM 684 CD PRO A 47 8.604 -10.892 9.941 1.00 0.00 C ATOM 0 HA PRO A 47 5.517 -11.332 10.028 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.453 -12.590 12.011 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.557 -13.384 10.731 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.178 -12.888 10.467 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.101 -12.791 9.087 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.408 -10.586 10.610 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.913 -10.629 8.929 1.00 0.00 H new ATOM 692 N PRO A 48 6.446 -10.292 12.999 1.00 0.00 N ATOM 693 CA PRO A 48 5.942 -9.836 14.298 1.00 0.00 C ATOM 694 C PRO A 48 4.731 -8.921 14.161 1.00 0.00 C ATOM 695 O PRO A 48 3.636 -9.250 14.619 1.00 0.00 O ATOM 696 CB PRO A 48 7.128 -9.070 14.890 1.00 0.00 C ATOM 697 CG PRO A 48 8.328 -9.671 14.243 1.00 0.00 C ATOM 698 CD PRO A 48 7.906 -10.136 12.883 1.00 0.00 C ATOM 0 HA PRO A 48 5.602 -10.666 14.917 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.056 -8.003 14.678 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.167 -9.177 15.974 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.133 -8.939 14.168 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.709 -10.504 14.834 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.170 -9.411 12.113 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.388 -11.076 12.615 1.00 0.00 H new ATOM 706 N ARG A 49 4.933 -7.770 13.527 1.00 0.00 N ATOM 707 CA ARG A 49 3.857 -6.806 13.330 1.00 0.00 C ATOM 708 C ARG A 49 2.971 -7.213 12.157 1.00 0.00 C ATOM 709 O ARG A 49 1.995 -6.535 11.839 1.00 0.00 O ATOM 710 CB ARG A 49 4.433 -5.410 13.088 1.00 0.00 C ATOM 711 CG ARG A 49 4.913 -4.721 14.355 1.00 0.00 C ATOM 712 CD ARG A 49 3.748 -4.202 15.183 1.00 0.00 C ATOM 713 NE ARG A 49 4.192 -3.332 16.269 1.00 0.00 N ATOM 714 CZ ARG A 49 4.612 -2.085 16.087 1.00 0.00 C ATOM 715 NH1 ARG A 49 4.643 -1.564 14.869 1.00 0.00 N ATOM 716 NH2 ARG A 49 5.001 -1.357 17.126 1.00 0.00 N ATOM 0 H ARG A 49 5.832 -7.483 13.141 1.00 0.00 H new ATOM 0 HA ARG A 49 3.248 -6.789 14.234 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.265 -5.486 12.388 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.673 -4.790 12.613 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.501 -5.420 14.950 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.572 -3.893 14.093 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.061 -3.655 14.538 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.194 -5.044 15.597 1.00 0.00 H new ATOM 0 HE ARG A 49 4.179 -3.702 17.219 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.344 -2.121 14.068 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.966 -0.606 14.732 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.978 -1.755 18.065 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.323 -0.400 16.986 1.00 0.00 H new ATOM 730 N ASN A 50 3.318 -8.325 11.517 1.00 0.00 N ATOM 731 CA ASN A 50 2.555 -8.822 10.378 1.00 0.00 C ATOM 732 C ASN A 50 2.332 -7.718 9.349 1.00 0.00 C ATOM 733 O ASN A 50 1.218 -7.525 8.862 1.00 0.00 O ATOM 734 CB ASN A 50 1.209 -9.379 10.844 1.00 0.00 C ATOM 735 CG ASN A 50 1.323 -10.160 12.139 1.00 0.00 C ATOM 736 OD1 ASN A 50 1.365 -9.581 13.225 1.00 0.00 O ATOM 737 ND2 ASN A 50 1.374 -11.483 12.029 1.00 0.00 N ATOM 0 H ASN A 50 4.123 -8.899 11.768 1.00 0.00 H new ATOM 0 HA ASN A 50 3.129 -9.621 9.909 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.506 -8.557 10.979 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.798 -10.025 10.068 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.451 -12.062 12.865 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.336 -11.920 11.108 1.00 0.00 H new ATOM 744 N CYS A 51 3.399 -6.997 9.023 1.00 0.00 N ATOM 745 CA CYS A 51 3.321 -5.911 8.052 1.00 0.00 C ATOM 746 C CYS A 51 4.630 -5.776 7.280 1.00 0.00 C ATOM 747 O CYS A 51 5.629 -6.410 7.619 1.00 0.00 O ATOM 748 CB CYS A 51 2.990 -4.594 8.754 1.00 0.00 C ATOM 749 SG CYS A 51 4.129 -4.164 10.091 1.00 0.00 S ATOM 0 H CYS A 51 4.328 -7.145 9.417 1.00 0.00 H new ATOM 0 HA CYS A 51 2.526 -6.146 7.344 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.992 -3.791 8.017 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.979 -4.654 9.157 1.00 0.00 H new ATOM 0 HG CYS A 51 5.270 -4.755 9.896 1.00 0.00 H new ATOM 755 N ALA A 52 4.616 -4.948 6.241 1.00 0.00 N ATOM 756 CA ALA A 52 5.801 -4.730 5.422 1.00 0.00 C ATOM 757 C ALA A 52 5.810 -3.323 4.832 1.00 0.00 C ATOM 758 O ALA A 52 4.807 -2.610 4.887 1.00 0.00 O ATOM 759 CB ALA A 52 5.876 -5.770 4.314 1.00 0.00 C ATOM 0 H ALA A 52 3.796 -4.417 5.947 1.00 0.00 H new ATOM 0 HA ALA A 52 6.678 -4.833 6.061 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.766 -5.595 3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.926 -6.766 4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.990 -5.695 3.684 1.00 0.00 H new ATOM 765 N PHE A 53 6.947 -2.930 4.269 1.00 0.00 N ATOM 766 CA PHE A 53 7.086 -1.608 3.670 1.00 0.00 C ATOM 767 C PHE A 53 7.706 -1.703 2.279 1.00 0.00 C ATOM 768 O PHE A 53 8.897 -1.982 2.135 1.00 0.00 O ATOM 769 CB PHE A 53 7.943 -0.708 4.562 1.00 0.00 C ATOM 770 CG PHE A 53 7.593 -0.800 6.020 1.00 0.00 C ATOM 771 CD1 PHE A 53 6.403 -0.272 6.494 1.00 0.00 C ATOM 772 CD2 PHE A 53 8.453 -1.415 6.915 1.00 0.00 C ATOM 773 CE1 PHE A 53 6.077 -0.355 7.835 1.00 0.00 C ATOM 774 CE2 PHE A 53 8.132 -1.502 8.256 1.00 0.00 C ATOM 775 CZ PHE A 53 6.944 -0.970 8.717 1.00 0.00 C ATOM 0 H PHE A 53 7.786 -3.508 4.215 1.00 0.00 H new ATOM 0 HA PHE A 53 6.091 -1.173 3.576 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.992 -0.973 4.431 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.832 0.326 4.235 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.722 0.210 5.808 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.385 -1.831 6.561 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.146 0.060 8.192 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.810 -1.986 8.943 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.693 -1.035 9.765 1.00 0.00 H new ATOM 785 N VAL A 54 6.890 -1.470 1.256 1.00 0.00 N ATOM 786 CA VAL A 54 7.357 -1.529 -0.124 1.00 0.00 C ATOM 787 C VAL A 54 7.534 -0.130 -0.704 1.00 0.00 C ATOM 788 O VAL A 54 6.673 0.735 -0.544 1.00 0.00 O ATOM 789 CB VAL A 54 6.381 -2.321 -1.014 1.00 0.00 C ATOM 790 CG1 VAL A 54 6.882 -2.365 -2.449 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.183 -3.727 -0.466 1.00 0.00 C ATOM 0 H VAL A 54 5.902 -1.239 1.357 1.00 0.00 H new ATOM 0 HA VAL A 54 8.320 -2.039 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 54 5.416 -1.813 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.179 -2.929 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.968 -1.350 -2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.859 -2.848 -2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.491 -4.273 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.141 -4.246 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.775 -3.670 0.543 1.00 0.00 H new ATOM 801 N THR A 55 8.658 0.086 -1.381 1.00 0.00 N ATOM 802 CA THR A 55 8.950 1.379 -1.985 1.00 0.00 C ATOM 803 C THR A 55 9.066 1.265 -3.501 1.00 0.00 C ATOM 804 O THR A 55 9.462 0.224 -4.026 1.00 0.00 O ATOM 805 CB THR A 55 10.254 1.979 -1.426 1.00 0.00 C ATOM 806 OG1 THR A 55 10.094 2.289 -0.037 1.00 0.00 O ATOM 807 CG2 THR A 55 10.642 3.237 -2.189 1.00 0.00 C ATOM 0 H THR A 55 9.381 -0.619 -1.524 1.00 0.00 H new ATOM 0 HA THR A 55 8.119 2.038 -1.735 1.00 0.00 H new ATOM 0 HB THR A 55 11.048 1.241 -1.545 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.928 2.668 0.312 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.566 3.643 -1.776 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.791 2.993 -3.241 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.848 3.978 -2.097 1.00 0.00 H new ATOM 815 N TYR A 56 8.718 2.340 -4.199 1.00 0.00 N ATOM 816 CA TYR A 56 8.782 2.359 -5.656 1.00 0.00 C ATOM 817 C TYR A 56 9.758 3.425 -6.145 1.00 0.00 C ATOM 818 O TYR A 56 9.830 4.518 -5.584 1.00 0.00 O ATOM 819 CB TYR A 56 7.393 2.614 -6.244 1.00 0.00 C ATOM 820 CG TYR A 56 6.476 1.414 -6.175 1.00 0.00 C ATOM 821 CD1 TYR A 56 6.883 0.175 -6.656 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.203 1.518 -5.629 1.00 0.00 C ATOM 823 CE1 TYR A 56 6.049 -0.924 -6.595 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.362 0.424 -5.563 1.00 0.00 C ATOM 825 CZ TYR A 56 4.789 -0.794 -6.047 1.00 0.00 C ATOM 826 OH TYR A 56 3.955 -1.886 -5.985 1.00 0.00 O ATOM 0 H TYR A 56 8.389 3.210 -3.780 1.00 0.00 H new ATOM 0 HA TYR A 56 9.139 1.385 -5.992 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.930 3.445 -5.713 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.499 2.920 -7.285 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.869 0.070 -7.085 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.865 2.471 -5.249 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.381 -1.879 -6.974 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.376 0.522 -5.135 1.00 0.00 H new ATOM 0 HH TYR A 56 4.186 -2.515 -6.700 1.00 0.00 H new ATOM 836 N GLU A 57 10.505 3.098 -7.194 1.00 0.00 N ATOM 837 CA GLU A 57 11.477 4.027 -7.759 1.00 0.00 C ATOM 838 C GLU A 57 10.797 5.315 -8.212 1.00 0.00 C ATOM 839 O GLU A 57 11.455 6.332 -8.438 1.00 0.00 O ATOM 840 CB GLU A 57 12.208 3.381 -8.937 1.00 0.00 C ATOM 841 CG GLU A 57 13.516 4.068 -9.293 1.00 0.00 C ATOM 842 CD GLU A 57 14.698 3.503 -8.530 1.00 0.00 C ATOM 843 OE1 GLU A 57 15.294 2.515 -9.008 1.00 0.00 O ATOM 844 OE2 GLU A 57 15.027 4.048 -7.456 1.00 0.00 O ATOM 0 H GLU A 57 10.456 2.197 -7.670 1.00 0.00 H new ATOM 0 HA GLU A 57 12.202 4.272 -6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.409 2.336 -8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.554 3.390 -9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.696 3.965 -10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.430 5.135 -9.085 1.00 0.00 H new ATOM 851 N LYS A 58 9.476 5.266 -8.344 1.00 0.00 N ATOM 852 CA LYS A 58 8.705 6.428 -8.770 1.00 0.00 C ATOM 853 C LYS A 58 7.445 6.584 -7.924 1.00 0.00 C ATOM 854 O LYS A 58 6.533 5.761 -7.995 1.00 0.00 O ATOM 855 CB LYS A 58 8.328 6.302 -10.248 1.00 0.00 C ATOM 856 CG LYS A 58 9.526 6.191 -11.174 1.00 0.00 C ATOM 857 CD LYS A 58 9.107 6.224 -12.634 1.00 0.00 C ATOM 858 CE LYS A 58 10.275 5.907 -13.556 1.00 0.00 C ATOM 859 NZ LYS A 58 9.902 6.047 -14.991 1.00 0.00 N ATOM 0 H LYS A 58 8.916 4.433 -8.162 1.00 0.00 H new ATOM 0 HA LYS A 58 9.325 7.314 -8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.695 5.424 -10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.734 7.169 -10.538 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.218 7.009 -10.975 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.061 5.264 -10.969 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.305 5.504 -12.800 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.707 7.208 -12.877 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.107 6.574 -13.330 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.621 4.891 -13.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.724 5.823 -15.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.125 5.393 -15.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.596 7.024 -15.177 1.00 0.00 H new ATOM 873 N MET A 59 7.401 7.647 -7.127 1.00 0.00 N ATOM 874 CA MET A 59 6.252 7.912 -6.270 1.00 0.00 C ATOM 875 C MET A 59 4.951 7.544 -6.977 1.00 0.00 C ATOM 876 O MET A 59 4.053 6.955 -6.375 1.00 0.00 O ATOM 877 CB MET A 59 6.223 9.386 -5.860 1.00 0.00 C ATOM 878 CG MET A 59 6.013 10.337 -7.027 1.00 0.00 C ATOM 879 SD MET A 59 6.422 12.044 -6.614 1.00 0.00 S ATOM 880 CE MET A 59 8.150 12.101 -7.082 1.00 0.00 C ATOM 0 H MET A 59 8.148 8.338 -7.057 1.00 0.00 H new ATOM 0 HA MET A 59 6.347 7.296 -5.376 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.426 9.536 -5.131 1.00 0.00 H new ATOM 0 HB3 MET A 59 7.161 9.635 -5.363 1.00 0.00 H new ATOM 0 HG2 MET A 59 6.626 10.014 -7.869 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.974 10.285 -7.351 1.00 0.00 H new ATOM 0 HE1 MET A 59 8.547 13.097 -6.886 1.00 0.00 H new ATOM 0 HE2 MET A 59 8.709 11.366 -6.502 1.00 0.00 H new ATOM 0 HE3 MET A 59 8.247 11.874 -8.144 1.00 0.00 H new ATOM 890 N GLU A 60 4.857 7.895 -8.256 1.00 0.00 N ATOM 891 CA GLU A 60 3.665 7.601 -9.042 1.00 0.00 C ATOM 892 C GLU A 60 3.082 6.243 -8.661 1.00 0.00 C ATOM 893 O GLU A 60 1.894 6.128 -8.361 1.00 0.00 O ATOM 894 CB GLU A 60 3.993 7.626 -10.536 1.00 0.00 C ATOM 895 CG GLU A 60 5.048 6.611 -10.944 1.00 0.00 C ATOM 896 CD GLU A 60 5.681 6.934 -12.284 1.00 0.00 C ATOM 897 OE1 GLU A 60 5.708 8.126 -12.654 1.00 0.00 O ATOM 898 OE2 GLU A 60 6.150 5.995 -12.961 1.00 0.00 O ATOM 0 H GLU A 60 5.591 8.383 -8.769 1.00 0.00 H new ATOM 0 HA GLU A 60 2.922 8.369 -8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.081 7.438 -11.103 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.337 8.624 -10.807 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.824 6.572 -10.180 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.595 5.620 -10.989 1.00 0.00 H new ATOM 905 N SER A 61 3.928 5.218 -8.675 1.00 0.00 N ATOM 906 CA SER A 61 3.497 3.867 -8.335 1.00 0.00 C ATOM 907 C SER A 61 2.902 3.823 -6.931 1.00 0.00 C ATOM 908 O SER A 61 1.902 3.149 -6.689 1.00 0.00 O ATOM 909 CB SER A 61 4.673 2.894 -8.434 1.00 0.00 C ATOM 910 OG SER A 61 5.115 2.761 -9.774 1.00 0.00 O ATOM 0 H SER A 61 4.915 5.297 -8.918 1.00 0.00 H new ATOM 0 HA SER A 61 2.727 3.568 -9.046 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.494 3.247 -7.810 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.376 1.919 -8.048 1.00 0.00 H new ATOM 0 HG SER A 61 4.829 1.893 -10.128 1.00 0.00 H new ATOM 916 N ALA A 62 3.527 4.548 -6.008 1.00 0.00 N ATOM 917 CA ALA A 62 3.059 4.594 -4.628 1.00 0.00 C ATOM 918 C ALA A 62 1.538 4.672 -4.566 1.00 0.00 C ATOM 919 O ALA A 62 0.888 3.822 -3.957 1.00 0.00 O ATOM 920 CB ALA A 62 3.680 5.778 -3.901 1.00 0.00 C ATOM 0 H ALA A 62 4.358 5.111 -6.191 1.00 0.00 H new ATOM 0 HA ALA A 62 3.369 3.673 -4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.322 5.801 -2.872 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.766 5.679 -3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.397 6.703 -4.404 1.00 0.00 H new ATOM 926 N ASP A 63 0.976 5.696 -5.200 1.00 0.00 N ATOM 927 CA ASP A 63 -0.470 5.884 -5.217 1.00 0.00 C ATOM 928 C ASP A 63 -1.156 4.756 -5.982 1.00 0.00 C ATOM 929 O ASP A 63 -2.212 4.272 -5.576 1.00 0.00 O ATOM 930 CB ASP A 63 -0.823 7.232 -5.847 1.00 0.00 C ATOM 931 CG ASP A 63 -2.306 7.368 -6.130 1.00 0.00 C ATOM 932 OD1 ASP A 63 -2.861 6.487 -6.820 1.00 0.00 O ATOM 933 OD2 ASP A 63 -2.912 8.355 -5.664 1.00 0.00 O ATOM 0 H ASP A 63 1.500 6.408 -5.709 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.826 5.869 -4.187 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.508 8.035 -5.180 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.266 7.352 -6.776 1.00 0.00 H new ATOM 938 N GLN A 64 -0.548 4.344 -7.090 1.00 0.00 N ATOM 939 CA GLN A 64 -1.102 3.275 -7.912 1.00 0.00 C ATOM 940 C GLN A 64 -1.352 2.022 -7.079 1.00 0.00 C ATOM 941 O GLN A 64 -2.496 1.609 -6.889 1.00 0.00 O ATOM 942 CB GLN A 64 -0.156 2.951 -9.069 1.00 0.00 C ATOM 943 CG GLN A 64 -0.120 4.025 -10.144 1.00 0.00 C ATOM 944 CD GLN A 64 0.203 3.468 -11.516 1.00 0.00 C ATOM 945 OE1 GLN A 64 0.329 2.255 -11.693 1.00 0.00 O ATOM 946 NE2 GLN A 64 0.339 4.351 -12.498 1.00 0.00 N ATOM 0 H GLN A 64 0.328 4.734 -7.439 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.055 3.618 -8.315 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.850 2.809 -8.676 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.458 2.006 -9.521 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.085 4.530 -10.179 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.623 4.776 -9.877 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.226 5.347 -12.308 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.556 4.034 -13.443 1.00 0.00 H new ATOM 955 N ALA A 65 -0.275 1.421 -6.584 1.00 0.00 N ATOM 956 CA ALA A 65 -0.378 0.216 -5.770 1.00 0.00 C ATOM 957 C ALA A 65 -1.454 0.367 -4.700 1.00 0.00 C ATOM 958 O ALA A 65 -2.398 -0.420 -4.639 1.00 0.00 O ATOM 959 CB ALA A 65 0.964 -0.106 -5.131 1.00 0.00 C ATOM 0 H ALA A 65 0.679 1.749 -6.733 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.664 -0.610 -6.422 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.872 -1.008 -4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.709 -0.266 -5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.274 0.725 -4.498 1.00 0.00 H new ATOM 965 N VAL A 66 -1.304 1.384 -3.856 1.00 0.00 N ATOM 966 CA VAL A 66 -2.263 1.638 -2.788 1.00 0.00 C ATOM 967 C VAL A 66 -3.684 1.718 -3.333 1.00 0.00 C ATOM 968 O VAL A 66 -4.654 1.585 -2.588 1.00 0.00 O ATOM 969 CB VAL A 66 -1.936 2.945 -2.041 1.00 0.00 C ATOM 970 CG1 VAL A 66 -3.149 3.433 -1.263 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.745 2.746 -1.116 1.00 0.00 C ATOM 0 H VAL A 66 -0.528 2.045 -3.892 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.191 0.802 -2.092 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.674 3.707 -2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.899 4.357 -0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.973 3.616 -1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.445 2.675 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.528 3.679 -0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.977 1.970 -0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.124 2.446 -1.701 1.00 0.00 H new ATOM 981 N ALA A 67 -3.800 1.937 -4.639 1.00 0.00 N ATOM 982 CA ALA A 67 -5.103 2.033 -5.285 1.00 0.00 C ATOM 983 C ALA A 67 -5.604 0.659 -5.715 1.00 0.00 C ATOM 984 O ALA A 67 -6.796 0.367 -5.623 1.00 0.00 O ATOM 985 CB ALA A 67 -5.031 2.969 -6.482 1.00 0.00 C ATOM 0 H ALA A 67 -3.007 2.051 -5.270 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.811 2.439 -4.562 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.011 3.031 -6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.725 3.961 -6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.306 2.586 -7.200 1.00 0.00 H new ATOM 991 N GLU A 68 -4.687 -0.181 -6.186 1.00 0.00 N ATOM 992 CA GLU A 68 -5.038 -1.524 -6.631 1.00 0.00 C ATOM 993 C GLU A 68 -4.764 -2.550 -5.536 1.00 0.00 C ATOM 994 O GLU A 68 -5.669 -3.258 -5.092 1.00 0.00 O ATOM 995 CB GLU A 68 -4.254 -1.887 -7.894 1.00 0.00 C ATOM 996 CG GLU A 68 -4.632 -1.054 -9.107 1.00 0.00 C ATOM 997 CD GLU A 68 -6.005 -1.402 -9.648 1.00 0.00 C ATOM 998 OE1 GLU A 68 -7.005 -0.889 -9.102 1.00 0.00 O ATOM 999 OE2 GLU A 68 -6.081 -2.186 -10.617 1.00 0.00 O ATOM 0 H GLU A 68 -3.696 0.045 -6.269 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.104 -1.537 -6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.189 -1.765 -7.698 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.417 -2.940 -8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.608 0.002 -8.840 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.889 -1.201 -9.890 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.510 -2.625 -5.104 1.00 0.00 N ATOM 1007 CA LEU A 69 -3.115 -3.564 -4.061 1.00 0.00 C ATOM 1008 C LEU A 69 -4.011 -3.425 -2.835 1.00 0.00 C ATOM 1009 O LEU A 69 -4.278 -4.401 -2.135 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.654 -3.336 -3.668 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.605 -3.858 -4.651 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.755 -3.957 -3.977 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -1.024 -5.210 -5.210 1.00 0.00 C ATOM 0 H LEU A 69 -2.749 -2.046 -5.460 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.225 -4.574 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.497 -2.266 -3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.481 -3.806 -2.700 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.528 -3.153 -5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.489 -4.330 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.059 -2.971 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.693 -4.641 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.266 -5.566 -5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.130 -5.924 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.977 -5.109 -5.730 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.474 -2.205 -2.582 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.342 -1.938 -1.441 1.00 0.00 C ATOM 1027 C ASN A 70 -6.506 -2.923 -1.400 1.00 0.00 C ATOM 1028 O ASN A 70 -7.332 -2.962 -2.311 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.874 -0.505 -1.503 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.242 -0.368 -0.862 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -8.268 -0.510 -1.527 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -7.261 -0.090 0.436 1.00 0.00 N ATOM 0 H ASN A 70 -4.263 -1.386 -3.152 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.753 -2.061 -0.532 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.173 0.162 -1.002 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.930 -0.186 -2.544 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.152 0.014 0.922 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.385 0.019 0.947 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.564 -3.719 -0.337 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.630 -4.693 -0.197 1.00 0.00 C ATOM 1041 C GLY A 71 -7.671 -5.678 -1.348 1.00 0.00 C ATOM 1042 O GLY A 71 -8.723 -6.234 -1.664 1.00 0.00 O ATOM 0 H GLY A 71 -5.892 -3.707 0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.500 -5.237 0.738 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.586 -4.174 -0.133 1.00 0.00 H new ATOM 1046 N THR A 72 -6.521 -5.895 -1.980 1.00 0.00 N ATOM 1047 CA THR A 72 -6.430 -6.817 -3.105 1.00 0.00 C ATOM 1048 C THR A 72 -6.143 -8.237 -2.631 1.00 0.00 C ATOM 1049 O THR A 72 -5.585 -8.439 -1.553 1.00 0.00 O ATOM 1050 CB THR A 72 -5.331 -6.387 -4.096 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.624 -6.894 -5.402 1.00 0.00 O ATOM 1052 CG2 THR A 72 -3.969 -6.891 -3.644 1.00 0.00 C ATOM 0 H THR A 72 -5.640 -5.445 -1.731 1.00 0.00 H new ATOM 0 HA THR A 72 -7.395 -6.794 -3.611 1.00 0.00 H new ATOM 0 HB THR A 72 -5.306 -5.298 -4.127 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.922 -6.615 -6.026 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.209 -6.576 -4.359 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.736 -6.480 -2.662 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.984 -7.979 -3.587 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.528 -9.216 -3.442 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.312 -10.618 -3.104 1.00 0.00 C ATOM 1062 C GLN A 73 -5.336 -11.269 -4.078 1.00 0.00 C ATOM 1063 O GLN A 73 -5.726 -11.720 -5.155 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.640 -11.377 -3.111 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.555 -12.757 -2.479 1.00 0.00 C ATOM 1066 CD GLN A 73 -8.708 -13.655 -2.882 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -9.121 -13.673 -4.042 1.00 0.00 O ATOM 1068 NE2 GLN A 73 -9.236 -14.406 -1.922 1.00 0.00 N ATOM 0 H GLN A 73 -6.991 -9.065 -4.338 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.882 -10.662 -2.103 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.388 -10.789 -2.580 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.986 -11.478 -4.140 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.615 -13.227 -2.768 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.541 -12.655 -1.394 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.862 -14.359 -0.974 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.015 -15.029 -2.133 1.00 0.00 H new ATOM 1077 N VAL A 74 -4.064 -11.314 -3.693 1.00 0.00 N ATOM 1078 CA VAL A 74 -3.032 -11.910 -4.533 1.00 0.00 C ATOM 1079 C VAL A 74 -2.462 -13.170 -3.891 1.00 0.00 C ATOM 1080 O VAL A 74 -2.254 -13.221 -2.679 1.00 0.00 O ATOM 1081 CB VAL A 74 -1.884 -10.919 -4.800 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.435 -9.557 -5.193 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -0.983 -10.807 -3.579 1.00 0.00 C ATOM 0 H VAL A 74 -3.724 -10.945 -2.805 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.505 -12.170 -5.480 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.287 -11.296 -5.631 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.609 -8.870 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.035 -9.655 -6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.056 -9.169 -4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.177 -10.103 -3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.565 -10.453 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.560 -11.785 -3.348 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.212 -14.185 -4.713 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.666 -15.446 -4.224 1.00 0.00 C ATOM 1095 C GLU A 75 -2.532 -16.016 -3.104 1.00 0.00 C ATOM 1096 O GLU A 75 -2.035 -16.694 -2.205 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.233 -15.247 -3.725 1.00 0.00 C ATOM 1098 CG GLU A 75 0.725 -14.764 -4.802 1.00 0.00 C ATOM 1099 CD GLU A 75 0.963 -15.804 -5.880 1.00 0.00 C ATOM 1100 OE1 GLU A 75 0.003 -16.138 -6.605 1.00 0.00 O ATOM 1101 OE2 GLU A 75 2.110 -16.283 -5.998 1.00 0.00 O ATOM 0 H GLU A 75 -2.379 -14.159 -5.719 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.660 -16.155 -5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.239 -14.527 -2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.135 -16.189 -3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.326 -13.858 -5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.677 -14.497 -4.343 1.00 0.00 H new ATOM 1108 N SER A 76 -3.829 -15.735 -3.166 1.00 0.00 N ATOM 1109 CA SER A 76 -4.764 -16.215 -2.155 1.00 0.00 C ATOM 1110 C SER A 76 -4.516 -15.529 -0.815 1.00 0.00 C ATOM 1111 O SER A 76 -4.757 -16.107 0.245 1.00 0.00 O ATOM 1112 CB SER A 76 -4.641 -17.732 -1.996 1.00 0.00 C ATOM 1113 OG SER A 76 -5.865 -18.301 -1.567 1.00 0.00 O ATOM 0 H SER A 76 -4.257 -15.178 -3.905 1.00 0.00 H new ATOM 0 HA SER A 76 -5.774 -15.972 -2.485 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.342 -18.177 -2.945 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.857 -17.963 -1.275 1.00 0.00 H new ATOM 0 HG SER A 76 -5.760 -19.271 -1.475 1.00 0.00 H new ATOM 1119 N VAL A 77 -4.031 -14.293 -0.871 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.750 -13.526 0.337 1.00 0.00 C ATOM 1121 C VAL A 77 -4.195 -12.076 0.183 1.00 0.00 C ATOM 1122 O VAL A 77 -3.683 -11.346 -0.665 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.250 -13.557 0.684 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -1.921 -12.498 1.726 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -1.845 -14.940 1.172 1.00 0.00 C ATOM 0 H VAL A 77 -3.824 -13.801 -1.740 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.313 -13.992 1.146 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.681 -13.334 -0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.857 -12.535 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.173 -11.512 1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.497 -12.687 2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.782 -14.944 1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.420 -15.194 2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.043 -15.674 0.391 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.152 -11.666 1.010 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.666 -10.303 0.966 1.00 0.00 C ATOM 1137 C GLN A 78 -4.641 -9.316 1.516 1.00 0.00 C ATOM 1138 O GLN A 78 -4.492 -9.172 2.730 1.00 0.00 O ATOM 1139 CB GLN A 78 -6.968 -10.201 1.763 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.211 -10.489 0.937 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.342 -11.066 1.765 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -9.961 -10.363 2.565 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -9.618 -12.351 1.578 1.00 0.00 N ATOM 0 H GLN A 78 -5.586 -12.258 1.718 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.864 -10.050 -0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.928 -10.899 2.599 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.047 -9.200 2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.548 -9.568 0.461 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.958 -11.186 0.138 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.079 -12.896 0.905 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.369 -12.794 2.108 1.00 0.00 H new ATOM 1152 N LEU A 79 -3.937 -8.640 0.615 1.00 0.00 N ATOM 1153 CA LEU A 79 -2.925 -7.666 1.009 1.00 0.00 C ATOM 1154 C LEU A 79 -3.535 -6.276 1.157 1.00 0.00 C ATOM 1155 O LEU A 79 -4.339 -5.847 0.329 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.794 -7.632 -0.019 1.00 0.00 C ATOM 1157 CG LEU A 79 -0.815 -8.806 0.021 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.369 -8.545 -0.898 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -0.342 -9.058 1.445 1.00 0.00 C ATOM 0 H LEU A 79 -4.048 -8.748 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.521 -7.970 1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.236 -7.587 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.230 -6.710 0.121 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.333 -9.698 -0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.055 -9.391 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.014 -8.415 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.887 -7.642 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.354 -9.897 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.158 -8.167 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.199 -9.291 2.077 1.00 0.00 H new ATOM 1171 N LYS A 80 -3.147 -5.574 2.217 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.652 -4.231 2.473 1.00 0.00 C ATOM 1173 C LYS A 80 -2.514 -3.215 2.486 1.00 0.00 C ATOM 1174 O LYS A 80 -1.705 -3.187 3.413 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.401 -4.191 3.807 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.782 -4.822 3.748 1.00 0.00 C ATOM 1177 CD LYS A 80 -6.315 -5.126 5.138 1.00 0.00 C ATOM 1178 CE LYS A 80 -7.265 -6.314 5.123 1.00 0.00 C ATOM 1179 NZ LYS A 80 -8.615 -5.938 4.617 1.00 0.00 N ATOM 0 H LYS A 80 -2.484 -5.914 2.913 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.340 -3.969 1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.808 -4.705 4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.498 -3.154 4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.468 -4.150 3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.738 -5.742 3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.483 -5.333 5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.832 -4.250 5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.849 -7.104 4.497 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.355 -6.720 6.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.233 -6.774 4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.023 -5.203 5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.533 -5.574 3.646 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.459 -2.381 1.453 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.422 -1.362 1.347 1.00 0.00 C ATOM 1195 C VAL A 81 -2.004 0.036 1.528 1.00 0.00 C ATOM 1196 O VAL A 81 -3.091 0.334 1.036 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.701 -1.434 -0.012 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.595 -0.638 0.028 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.436 -2.881 -0.398 1.00 0.00 C ATOM 0 H VAL A 81 -3.121 -2.391 0.677 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.703 -1.559 2.142 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.347 -0.992 -0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.090 -0.701 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.375 0.405 0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.250 -1.047 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.074 -2.913 -1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.190 -3.351 0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.382 -3.417 -0.470 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.272 0.888 2.237 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.716 2.256 2.484 1.00 0.00 C ATOM 1211 C ASN A 82 -0.532 3.217 2.504 1.00 0.00 C ATOM 1212 O ASN A 82 0.541 2.885 3.008 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.475 2.336 3.810 1.00 0.00 C ATOM 1214 CG ASN A 82 -3.518 3.438 3.813 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -4.604 3.281 3.256 1.00 0.00 O ATOM 1216 ND2 ASN A 82 -3.190 4.560 4.443 1.00 0.00 N ATOM 0 H ASN A 82 -0.369 0.656 2.651 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.383 2.547 1.673 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -2.960 1.380 4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.767 2.507 4.621 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -3.850 5.336 4.479 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.278 4.645 4.891 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.734 4.408 1.952 1.00 0.00 N ATOM 1224 CA ILE A 83 0.316 5.418 1.908 1.00 0.00 C ATOM 1225 C ILE A 83 0.667 5.907 3.309 1.00 0.00 C ATOM 1226 O ILE A 83 -0.116 6.611 3.946 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.098 6.624 1.044 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -0.590 6.152 -0.326 1.00 0.00 C ATOM 1229 CG2 ILE A 83 1.067 7.590 0.890 1.00 0.00 C ATOM 1230 CD1 ILE A 83 0.528 5.839 -1.295 1.00 0.00 C ATOM 0 H ILE A 83 -1.616 4.698 1.529 1.00 0.00 H new ATOM 0 HA ILE A 83 1.190 4.945 1.461 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.914 7.147 1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.206 5.262 -0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.230 6.922 -0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.759 8.437 0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.376 7.947 1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.902 7.080 0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.105 5.511 -2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.131 6.733 -1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.155 5.048 -0.884 1.00 0.00 H new ATOM 1242 N ALA A 84 1.851 5.531 3.781 1.00 0.00 N ATOM 1243 CA ALA A 84 2.308 5.935 5.105 1.00 0.00 C ATOM 1244 C ALA A 84 2.197 7.444 5.288 1.00 0.00 C ATOM 1245 O ALA A 84 2.047 8.187 4.318 1.00 0.00 O ATOM 1246 CB ALA A 84 3.742 5.478 5.330 1.00 0.00 C ATOM 0 H ALA A 84 2.511 4.948 3.267 1.00 0.00 H new ATOM 0 HA ALA A 84 1.665 5.458 5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.071 5.786 6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.794 4.392 5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.390 5.928 4.577 1.00 0.00 H new