USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 490 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 Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -132:sc= 1.2 USER MOD Single : A 24 ASN : amide:sc= -0.099 K(o=-0.099,f=-1.6!) USER MOD Single : A 32 SER OG : rot -65:sc= 1.23 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.561 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -39:sc= 0.787 USER MOD Single : A 46 GLN : amide:sc= -8.4! C(o=-8.4!,f=-10!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 19:sc= 0.429 USER MOD Single : A 57 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.7!) USER MOD Single : A 74 HIS : no HD1:sc= -2.7! C(o=-2.7!,f=-3.5!) USER MOD Single : A 82 ASN : amide:sc= -1.81 K(o=-1.8,f=-5.8!) USER MOD Single : A 85 TYR OH : rot 167:sc= 1.38 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 194 N GLU A 15 12.969 -38.740 -9.403 1.00 63.11 N ATOM 195 CA GLU A 15 11.572 -39.150 -9.329 1.00 52.30 C ATOM 196 C GLU A 15 10.795 -38.260 -8.363 1.00 54.01 C ATOM 197 O GLU A 15 11.335 -37.298 -7.817 1.00 31.04 O ATOM 198 CB GLU A 15 11.468 -40.611 -8.889 1.00 23.52 C ATOM 199 CG GLU A 15 11.892 -41.601 -9.961 1.00 31.41 C ATOM 200 CD GLU A 15 10.877 -41.717 -11.082 1.00 30.44 C ATOM 201 OE1 GLU A 15 9.806 -42.317 -10.851 1.00 71.24 O ATOM 202 OE2 GLU A 15 11.153 -41.209 -12.188 1.00 64.10 O ATOM 0 HA GLU A 15 11.137 -39.046 -10.323 1.00 52.30 H new ATOM 0 HB2 GLU A 15 12.086 -40.760 -8.004 1.00 23.52 H new ATOM 0 HB3 GLU A 15 10.439 -40.822 -8.598 1.00 23.52 H new ATOM 0 HG2 GLU A 15 12.852 -41.293 -10.375 1.00 31.41 H new ATOM 0 HG3 GLU A 15 12.040 -42.581 -9.507 1.00 31.41 H new ATOM 209 N TYR A 16 9.524 -38.588 -8.158 1.00 52.04 N ATOM 210 CA TYR A 16 8.671 -37.818 -7.261 1.00 54.23 C ATOM 211 C TYR A 16 7.939 -38.734 -6.285 1.00 74.04 C ATOM 212 O TYR A 16 8.114 -39.953 -6.311 1.00 12.43 O ATOM 213 CB TYR A 16 7.660 -36.998 -8.064 1.00 55.43 C ATOM 214 CG TYR A 16 7.046 -37.756 -9.219 1.00 54.14 C ATOM 215 CD1 TYR A 16 7.342 -37.417 -10.534 1.00 52.00 C ATOM 216 CD2 TYR A 16 6.169 -38.810 -8.996 1.00 71.45 C ATOM 217 CE1 TYR A 16 6.783 -38.106 -11.593 1.00 32.43 C ATOM 218 CE2 TYR A 16 5.606 -39.506 -10.049 1.00 25.41 C ATOM 219 CZ TYR A 16 5.916 -39.151 -11.345 1.00 43.50 C ATOM 220 OH TYR A 16 5.357 -39.840 -12.396 1.00 70.41 O ATOM 0 H TYR A 16 9.062 -39.382 -8.601 1.00 52.04 H new ATOM 0 HA TYR A 16 9.306 -37.141 -6.689 1.00 54.23 H new ATOM 0 HB2 TYR A 16 6.866 -36.663 -7.397 1.00 55.43 H new ATOM 0 HB3 TYR A 16 8.153 -36.105 -8.448 1.00 55.43 H new ATOM 0 HD1 TYR A 16 8.021 -36.601 -10.731 1.00 52.00 H new ATOM 0 HD2 TYR A 16 5.923 -39.090 -7.982 1.00 71.45 H new ATOM 0 HE1 TYR A 16 7.023 -37.829 -12.609 1.00 32.43 H new ATOM 0 HE2 TYR A 16 4.927 -40.324 -9.858 1.00 25.41 H new ATOM 0 HH TYR A 16 4.771 -40.545 -12.050 1.00 70.41 H new ATOM 230 N ILE A 17 7.118 -38.138 -5.427 1.00 71.11 N ATOM 231 CA ILE A 17 6.358 -38.900 -4.444 1.00 14.52 C ATOM 232 C ILE A 17 4.858 -38.699 -4.634 1.00 32.34 C ATOM 233 O ILE A 17 4.364 -37.572 -4.610 1.00 50.25 O ATOM 234 CB ILE A 17 6.739 -38.502 -3.006 1.00 4.51 C ATOM 235 CG1 ILE A 17 5.786 -39.153 -2.003 1.00 35.43 C ATOM 236 CG2 ILE A 17 6.724 -36.988 -2.853 1.00 54.14 C ATOM 237 CD1 ILE A 17 6.160 -38.898 -0.559 1.00 54.14 C ATOM 0 H ILE A 17 6.962 -37.131 -5.393 1.00 71.11 H new ATOM 0 HA ILE A 17 6.605 -39.950 -4.599 1.00 14.52 H new ATOM 0 HB ILE A 17 7.749 -38.858 -2.803 1.00 4.51 H new ATOM 0 HG12 ILE A 17 4.777 -38.781 -2.179 1.00 35.43 H new ATOM 0 HG13 ILE A 17 5.765 -40.228 -2.180 1.00 35.43 H new ATOM 0 HG21 ILE A 17 6.995 -36.723 -1.831 1.00 54.14 H new ATOM 0 HG22 ILE A 17 7.440 -36.545 -3.545 1.00 54.14 H new ATOM 0 HG23 ILE A 17 5.726 -36.610 -3.073 1.00 54.14 H new ATOM 0 HD11 ILE A 17 5.440 -39.390 0.096 1.00 54.14 H new ATOM 0 HD12 ILE A 17 7.157 -39.295 -0.366 1.00 54.14 H new ATOM 0 HD13 ILE A 17 6.153 -37.825 -0.365 1.00 54.14 H new ATOM 249 N ARG A 18 4.138 -39.801 -4.819 1.00 61.04 N ATOM 250 CA ARG A 18 2.694 -39.747 -5.012 1.00 41.23 C ATOM 251 C ARG A 18 1.965 -40.413 -3.850 1.00 32.54 C ATOM 252 O ARG A 18 1.935 -41.640 -3.743 1.00 2.44 O ATOM 253 CB ARG A 18 2.308 -40.426 -6.327 1.00 70.34 C ATOM 254 CG ARG A 18 2.161 -39.460 -7.492 1.00 34.53 C ATOM 255 CD ARG A 18 1.011 -39.859 -8.404 1.00 14.54 C ATOM 256 NE ARG A 18 1.461 -40.126 -9.767 1.00 35.41 N ATOM 257 CZ ARG A 18 0.657 -40.102 -10.824 1.00 73.32 C ATOM 258 NH1 ARG A 18 -0.631 -39.823 -10.676 1.00 30.52 N ATOM 259 NH2 ARG A 18 1.141 -40.357 -12.033 1.00 52.21 N ATOM 0 H ARG A 18 4.531 -40.742 -4.839 1.00 61.04 H new ATOM 0 HA ARG A 18 2.397 -38.699 -5.052 1.00 41.23 H new ATOM 0 HB2 ARG A 18 3.064 -41.171 -6.577 1.00 70.34 H new ATOM 0 HB3 ARG A 18 1.368 -40.960 -6.188 1.00 70.34 H new ATOM 0 HG2 ARG A 18 1.993 -38.452 -7.112 1.00 34.53 H new ATOM 0 HG3 ARG A 18 3.088 -39.434 -8.064 1.00 34.53 H new ATOM 0 HD2 ARG A 18 0.522 -40.747 -8.003 1.00 14.54 H new ATOM 0 HD3 ARG A 18 0.266 -39.063 -8.417 1.00 14.54 H new ATOM 0 HE ARG A 18 2.447 -40.343 -9.916 1.00 35.41 H new ATOM 0 HH11 ARG A 18 -1.007 -39.626 -9.748 1.00 30.52 H new ATOM 0 HH12 ARG A 18 -1.246 -39.805 -11.490 1.00 30.52 H new ATOM 0 HH21 ARG A 18 2.131 -40.572 -12.151 1.00 52.21 H new ATOM 0 HH22 ARG A 18 0.523 -40.338 -12.844 1.00 52.21 H new ATOM 273 N VAL A 19 1.378 -39.597 -2.980 1.00 33.41 N ATOM 274 CA VAL A 19 0.648 -40.107 -1.825 1.00 60.53 C ATOM 275 C VAL A 19 -0.495 -39.175 -1.442 1.00 14.20 C ATOM 276 O VAL A 19 -0.435 -37.968 -1.681 1.00 23.22 O ATOM 277 CB VAL A 19 1.577 -40.290 -0.610 1.00 53.41 C ATOM 278 CG1 VAL A 19 2.433 -41.536 -0.775 1.00 5.44 C ATOM 279 CG2 VAL A 19 2.446 -39.057 -0.415 1.00 42.41 C ATOM 0 H VAL A 19 1.394 -38.580 -3.053 1.00 33.41 H new ATOM 0 HA VAL A 19 0.241 -41.077 -2.111 1.00 60.53 H new ATOM 0 HB VAL A 19 0.962 -40.417 0.281 1.00 53.41 H new ATOM 0 HG11 VAL A 19 3.083 -41.649 0.093 1.00 5.44 H new ATOM 0 HG12 VAL A 19 1.789 -42.411 -0.862 1.00 5.44 H new ATOM 0 HG13 VAL A 19 3.042 -41.443 -1.674 1.00 5.44 H new ATOM 0 HG21 VAL A 19 3.096 -39.203 0.447 1.00 42.41 H new ATOM 0 HG22 VAL A 19 3.054 -38.896 -1.305 1.00 42.41 H new ATOM 0 HG23 VAL A 19 1.811 -38.187 -0.248 1.00 42.41 H new ATOM 289 N THR A 20 -1.539 -39.742 -0.845 1.00 14.41 N ATOM 290 CA THR A 20 -2.698 -38.962 -0.428 1.00 40.34 C ATOM 291 C THR A 20 -2.929 -39.080 1.074 1.00 75.14 C ATOM 292 O THR A 20 -2.591 -40.093 1.684 1.00 21.24 O ATOM 293 CB THR A 20 -3.972 -39.409 -1.170 1.00 11.14 C ATOM 294 OG1 THR A 20 -5.133 -39.005 -0.435 1.00 72.13 O ATOM 295 CG2 THR A 20 -3.986 -40.918 -1.360 1.00 63.11 C ATOM 0 H THR A 20 -1.606 -40.739 -0.639 1.00 14.41 H new ATOM 0 HA THR A 20 -2.487 -37.923 -0.679 1.00 40.34 H new ATOM 0 HB THR A 20 -3.980 -38.935 -2.152 1.00 11.14 H new ATOM 0 HG1 THR A 20 -5.752 -39.761 -0.360 1.00 72.13 H new ATOM 0 HG21 THR A 20 -4.895 -41.210 -1.886 1.00 63.11 H new ATOM 0 HG22 THR A 20 -3.116 -41.219 -1.944 1.00 63.11 H new ATOM 0 HG23 THR A 20 -3.957 -41.408 -0.387 1.00 63.11 H new ATOM 303 N GLU A 21 -3.509 -38.039 1.662 1.00 1.44 N ATOM 304 CA GLU A 21 -3.785 -38.028 3.094 1.00 12.42 C ATOM 305 C GLU A 21 -5.009 -38.880 3.419 1.00 42.32 C ATOM 306 O GLU A 21 -4.970 -39.726 4.312 1.00 63.22 O ATOM 307 CB GLU A 21 -4.004 -36.594 3.583 1.00 70.21 C ATOM 308 CG GLU A 21 -3.849 -36.433 5.086 1.00 63.22 C ATOM 309 CD GLU A 21 -5.109 -35.914 5.750 1.00 20.12 C ATOM 310 OE1 GLU A 21 -5.259 -34.678 5.853 1.00 23.43 O ATOM 311 OE2 GLU A 21 -5.945 -36.743 6.167 1.00 0.51 O ATOM 0 H GLU A 21 -3.797 -37.193 1.170 1.00 1.44 H new ATOM 0 HA GLU A 21 -2.922 -38.452 3.607 1.00 12.42 H new ATOM 0 HB2 GLU A 21 -3.295 -35.936 3.081 1.00 70.21 H new ATOM 0 HB3 GLU A 21 -5.003 -36.269 3.292 1.00 70.21 H new ATOM 0 HG2 GLU A 21 -3.581 -37.394 5.525 1.00 63.22 H new ATOM 0 HG3 GLU A 21 -3.026 -35.748 5.291 1.00 63.22 H new ATOM 318 N ASP A 22 -6.094 -38.649 2.688 1.00 43.12 N ATOM 319 CA ASP A 22 -7.329 -39.395 2.897 1.00 52.24 C ATOM 320 C ASP A 22 -7.513 -40.456 1.816 1.00 42.43 C ATOM 321 O ASP A 22 -7.107 -40.264 0.670 1.00 10.10 O ATOM 322 CB ASP A 22 -8.528 -38.445 2.905 1.00 31.14 C ATOM 323 CG ASP A 22 -8.853 -37.936 4.296 1.00 50.11 C ATOM 324 OD1 ASP A 22 -8.558 -36.756 4.580 1.00 54.21 O ATOM 325 OD2 ASP A 22 -9.403 -38.717 5.100 1.00 62.11 O ATOM 0 H ASP A 22 -6.143 -37.951 1.946 1.00 43.12 H new ATOM 0 HA ASP A 22 -7.264 -39.894 3.864 1.00 52.24 H new ATOM 0 HB2 ASP A 22 -8.322 -37.598 2.250 1.00 31.14 H new ATOM 0 HB3 ASP A 22 -9.398 -38.959 2.497 1.00 31.14 H new ATOM 330 N GLU A 23 -8.126 -41.574 2.190 1.00 61.44 N ATOM 331 CA GLU A 23 -8.361 -42.666 1.252 1.00 42.02 C ATOM 332 C GLU A 23 -9.303 -42.229 0.134 1.00 61.24 C ATOM 333 O GLU A 23 -9.167 -42.660 -1.011 1.00 22.14 O ATOM 334 CB GLU A 23 -8.944 -43.878 1.981 1.00 14.21 C ATOM 335 CG GLU A 23 -10.238 -43.579 2.720 1.00 53.24 C ATOM 336 CD GLU A 23 -10.680 -44.724 3.609 1.00 33.43 C ATOM 337 OE1 GLU A 23 -11.023 -44.466 4.782 1.00 55.40 O ATOM 338 OE2 GLU A 23 -10.683 -45.879 3.134 1.00 50.13 O ATOM 0 H GLU A 23 -8.469 -41.748 3.135 1.00 61.44 H new ATOM 0 HA GLU A 23 -7.404 -42.943 0.810 1.00 42.02 H new ATOM 0 HB2 GLU A 23 -9.124 -44.674 1.259 1.00 14.21 H new ATOM 0 HB3 GLU A 23 -8.208 -44.253 2.692 1.00 14.21 H new ATOM 0 HG2 GLU A 23 -10.107 -42.683 3.327 1.00 53.24 H new ATOM 0 HG3 GLU A 23 -11.024 -43.362 1.996 1.00 53.24 H new ATOM 345 N ASN A 24 -10.259 -41.371 0.475 1.00 70.33 N ATOM 346 CA ASN A 24 -11.225 -40.877 -0.499 1.00 51.44 C ATOM 347 C ASN A 24 -10.585 -39.846 -1.425 1.00 73.31 C ATOM 348 O ASN A 24 -11.004 -39.682 -2.571 1.00 42.22 O ATOM 349 CB ASN A 24 -12.430 -40.259 0.214 1.00 24.31 C ATOM 350 CG ASN A 24 -13.438 -41.303 0.654 1.00 54.34 C ATOM 351 OD1 ASN A 24 -13.554 -42.366 0.044 1.00 23.22 O ATOM 352 ND2 ASN A 24 -14.175 -41.002 1.717 1.00 73.13 N ATOM 0 H ASN A 24 -10.385 -41.004 1.418 1.00 70.33 H new ATOM 0 HA ASN A 24 -11.561 -41.722 -1.100 1.00 51.44 H new ATOM 0 HB2 ASN A 24 -12.087 -39.700 1.084 1.00 24.31 H new ATOM 0 HB3 ASN A 24 -12.916 -39.546 -0.452 1.00 24.31 H new ATOM 0 HD21 ASN A 24 -14.871 -41.664 2.059 1.00 73.13 H new ATOM 0 HD22 ASN A 24 -14.045 -40.109 2.192 1.00 73.13 H new ATOM 359 N ASP A 25 -9.569 -39.156 -0.920 1.00 41.01 N ATOM 360 CA ASP A 25 -8.870 -38.143 -1.702 1.00 5.33 C ATOM 361 C ASP A 25 -7.933 -38.790 -2.717 1.00 74.13 C ATOM 362 O ASP A 25 -7.409 -39.879 -2.486 1.00 10.14 O ATOM 363 CB ASP A 25 -8.078 -37.213 -0.780 1.00 32.40 C ATOM 364 CG ASP A 25 -8.681 -35.825 -0.702 1.00 10.42 C ATOM 365 OD1 ASP A 25 -8.861 -35.318 0.426 1.00 45.13 O ATOM 366 OD2 ASP A 25 -8.973 -35.244 -1.768 1.00 64.00 O ATOM 0 H ASP A 25 -9.211 -39.279 0.027 1.00 41.01 H new ATOM 0 HA ASP A 25 -9.615 -37.559 -2.243 1.00 5.33 H new ATOM 0 HB2 ASP A 25 -8.038 -37.645 0.220 1.00 32.40 H new ATOM 0 HB3 ASP A 25 -7.051 -37.140 -1.137 1.00 32.40 H new ATOM 371 N GLU A 26 -7.730 -38.113 -3.843 1.00 2.31 N ATOM 372 CA GLU A 26 -6.858 -38.624 -4.894 1.00 53.13 C ATOM 373 C GLU A 26 -5.391 -38.492 -4.497 1.00 1.12 C ATOM 374 O GLU A 26 -5.011 -37.626 -3.709 1.00 45.50 O ATOM 375 CB GLU A 26 -7.112 -37.877 -6.206 1.00 20.24 C ATOM 376 CG GLU A 26 -8.223 -38.483 -7.046 1.00 34.21 C ATOM 377 CD GLU A 26 -9.504 -38.687 -6.260 1.00 30.21 C ATOM 378 OE1 GLU A 26 -9.609 -39.712 -5.553 1.00 42.33 O ATOM 379 OE2 GLU A 26 -10.401 -37.823 -6.351 1.00 60.43 O ATOM 0 H GLU A 26 -8.157 -37.210 -4.051 1.00 2.31 H new ATOM 0 HA GLU A 26 -7.084 -39.681 -5.036 1.00 53.13 H new ATOM 0 HB2 GLU A 26 -7.362 -36.840 -5.981 1.00 20.24 H new ATOM 0 HB3 GLU A 26 -6.192 -37.864 -6.791 1.00 20.24 H new ATOM 0 HG2 GLU A 26 -8.424 -37.834 -7.899 1.00 34.21 H new ATOM 0 HG3 GLU A 26 -7.890 -39.441 -7.446 1.00 34.21 H new ATOM 386 N PRO A 27 -4.546 -39.372 -5.054 1.00 20.00 N ATOM 387 CA PRO A 27 -3.107 -39.375 -4.773 1.00 32.10 C ATOM 388 C PRO A 27 -2.397 -38.166 -5.372 1.00 11.33 C ATOM 389 O PRO A 27 -2.187 -38.094 -6.583 1.00 33.41 O ATOM 390 CB PRO A 27 -2.619 -40.665 -5.437 1.00 41.21 C ATOM 391 CG PRO A 27 -3.609 -40.934 -6.517 1.00 15.51 C ATOM 392 CD PRO A 27 -4.930 -40.432 -6.002 1.00 0.34 C ATOM 0 HA PRO A 27 -2.900 -39.325 -3.704 1.00 32.10 H new ATOM 0 HB2 PRO A 27 -1.614 -40.546 -5.842 1.00 41.21 H new ATOM 0 HB3 PRO A 27 -2.579 -41.487 -4.723 1.00 41.21 H new ATOM 0 HG2 PRO A 27 -3.330 -40.423 -7.439 1.00 15.51 H new ATOM 0 HG3 PRO A 27 -3.658 -41.999 -6.745 1.00 15.51 H new ATOM 0 HD2 PRO A 27 -5.554 -40.044 -6.807 1.00 0.34 H new ATOM 0 HD3 PRO A 27 -5.497 -41.223 -5.512 1.00 0.34 H new ATOM 400 N ILE A 28 -2.029 -37.218 -4.516 1.00 54.01 N ATOM 401 CA ILE A 28 -1.341 -36.013 -4.961 1.00 54.45 C ATOM 402 C ILE A 28 0.144 -36.278 -5.183 1.00 51.41 C ATOM 403 O ILE A 28 0.770 -37.024 -4.431 1.00 52.40 O ATOM 404 CB ILE A 28 -1.501 -34.866 -3.946 1.00 42.41 C ATOM 405 CG1 ILE A 28 -0.806 -33.602 -4.458 1.00 22.22 C ATOM 406 CG2 ILE A 28 -0.939 -35.275 -2.593 1.00 10.53 C ATOM 407 CD1 ILE A 28 -1.391 -33.071 -5.748 1.00 22.03 C ATOM 0 H ILE A 28 -2.196 -37.262 -3.511 1.00 54.01 H new ATOM 0 HA ILE A 28 -1.800 -35.718 -5.905 1.00 54.45 H new ATOM 0 HB ILE A 28 -2.563 -34.651 -3.827 1.00 42.41 H new ATOM 0 HG12 ILE A 28 -0.869 -32.827 -3.694 1.00 22.22 H new ATOM 0 HG13 ILE A 28 0.252 -33.815 -4.609 1.00 22.22 H new ATOM 0 HG21 ILE A 28 -1.059 -34.454 -1.886 1.00 10.53 H new ATOM 0 HG22 ILE A 28 -1.474 -36.151 -2.226 1.00 10.53 H new ATOM 0 HG23 ILE A 28 0.120 -35.513 -2.696 1.00 10.53 H new ATOM 0 HD11 ILE A 28 -0.850 -32.175 -6.051 1.00 22.03 H new ATOM 0 HD12 ILE A 28 -1.303 -33.829 -6.526 1.00 22.03 H new ATOM 0 HD13 ILE A 28 -2.442 -32.826 -5.597 1.00 22.03 H new ATOM 419 N GLU A 29 0.702 -35.660 -6.220 1.00 15.43 N ATOM 420 CA GLU A 29 2.114 -35.828 -6.539 1.00 62.42 C ATOM 421 C GLU A 29 2.917 -34.599 -6.123 1.00 31.21 C ATOM 422 O GLU A 29 2.514 -33.465 -6.383 1.00 45.12 O ATOM 423 CB GLU A 29 2.294 -36.085 -8.037 1.00 20.31 C ATOM 424 CG GLU A 29 1.920 -34.897 -8.907 1.00 64.34 C ATOM 425 CD GLU A 29 1.833 -35.256 -10.378 1.00 34.40 C ATOM 426 OE1 GLU A 29 1.332 -34.423 -11.162 1.00 71.55 O ATOM 427 OE2 GLU A 29 2.264 -36.369 -10.744 1.00 71.44 O ATOM 0 H GLU A 29 0.197 -35.039 -6.853 1.00 15.43 H new ATOM 0 HA GLU A 29 2.485 -36.688 -5.982 1.00 62.42 H new ATOM 0 HB2 GLU A 29 3.333 -36.352 -8.229 1.00 20.31 H new ATOM 0 HB3 GLU A 29 1.686 -36.942 -8.326 1.00 20.31 H new ATOM 0 HG2 GLU A 29 0.961 -34.497 -8.577 1.00 64.34 H new ATOM 0 HG3 GLU A 29 2.658 -34.106 -8.773 1.00 64.34 H new ATOM 434 N ILE A 30 4.053 -34.833 -5.475 1.00 31.42 N ATOM 435 CA ILE A 30 4.912 -33.746 -5.023 1.00 22.21 C ATOM 436 C ILE A 30 6.345 -33.941 -5.506 1.00 25.44 C ATOM 437 O ILE A 30 6.831 -35.064 -5.650 1.00 53.44 O ATOM 438 CB ILE A 30 4.911 -33.629 -3.487 1.00 40.23 C ATOM 439 CG1 ILE A 30 4.145 -34.798 -2.865 1.00 54.12 C ATOM 440 CG2 ILE A 30 4.303 -32.302 -3.058 1.00 45.30 C ATOM 441 CD1 ILE A 30 4.280 -34.877 -1.361 1.00 11.23 C ATOM 0 H ILE A 30 4.400 -35.766 -5.251 1.00 31.42 H new ATOM 0 HA ILE A 30 4.509 -32.827 -5.449 1.00 22.21 H new ATOM 0 HB ILE A 30 5.941 -33.666 -3.134 1.00 40.23 H new ATOM 0 HG12 ILE A 30 3.090 -34.708 -3.123 1.00 54.12 H new ATOM 0 HG13 ILE A 30 4.502 -35.730 -3.303 1.00 54.12 H new ATOM 0 HG21 ILE A 30 4.309 -32.234 -1.970 1.00 45.30 H new ATOM 0 HG22 ILE A 30 4.887 -31.482 -3.476 1.00 45.30 H new ATOM 0 HG23 ILE A 30 3.277 -32.238 -3.420 1.00 45.30 H new ATOM 0 HD11 ILE A 30 3.711 -35.729 -0.989 1.00 11.23 H new ATOM 0 HD12 ILE A 30 5.330 -34.998 -1.096 1.00 11.23 H new ATOM 0 HD13 ILE A 30 3.896 -33.961 -0.913 1.00 11.23 H new ATOM 453 N PRO A 31 7.042 -32.823 -5.760 1.00 33.44 N ATOM 454 CA PRO A 31 8.431 -32.845 -6.227 1.00 53.14 C ATOM 455 C PRO A 31 9.398 -33.320 -5.149 1.00 4.42 C ATOM 456 O PRO A 31 9.538 -32.684 -4.104 1.00 24.31 O ATOM 457 CB PRO A 31 8.707 -31.383 -6.587 1.00 55.14 C ATOM 458 CG PRO A 31 7.758 -30.600 -5.746 1.00 61.33 C ATOM 459 CD PRO A 31 6.527 -31.452 -5.609 1.00 34.11 C ATOM 0 HA PRO A 31 8.571 -33.537 -7.058 1.00 53.14 H new ATOM 0 HB2 PRO A 31 9.741 -31.111 -6.375 1.00 55.14 H new ATOM 0 HB3 PRO A 31 8.541 -31.198 -7.648 1.00 55.14 H new ATOM 0 HG2 PRO A 31 8.191 -30.380 -4.770 1.00 61.33 H new ATOM 0 HG3 PRO A 31 7.521 -29.644 -6.212 1.00 61.33 H new ATOM 0 HD2 PRO A 31 6.045 -31.308 -4.642 1.00 34.11 H new ATOM 0 HD3 PRO A 31 5.787 -31.214 -6.373 1.00 34.11 H new ATOM 467 N SER A 32 10.065 -34.440 -5.409 1.00 54.03 N ATOM 468 CA SER A 32 11.017 -35.002 -4.459 1.00 2.52 C ATOM 469 C SER A 32 12.442 -34.581 -4.805 1.00 63.23 C ATOM 470 O SER A 32 12.662 -33.800 -5.730 1.00 63.34 O ATOM 471 CB SER A 32 10.913 -36.528 -4.442 1.00 4.23 C ATOM 472 OG SER A 32 11.889 -37.115 -5.286 1.00 13.24 O ATOM 0 H SER A 32 9.963 -34.976 -6.271 1.00 54.03 H new ATOM 0 HA SER A 32 10.774 -34.618 -3.468 1.00 2.52 H new ATOM 0 HB2 SER A 32 11.042 -36.893 -3.423 1.00 4.23 H new ATOM 0 HB3 SER A 32 9.917 -36.831 -4.766 1.00 4.23 H new ATOM 0 HG SER A 32 11.712 -36.862 -6.216 1.00 13.24 H new ATOM 478 N GLU A 33 13.406 -35.106 -4.055 1.00 43.21 N ATOM 479 CA GLU A 33 14.810 -34.784 -4.282 1.00 64.41 C ATOM 480 C GLU A 33 15.436 -35.755 -5.279 1.00 64.32 C ATOM 481 O GLU A 33 14.826 -36.757 -5.654 1.00 11.25 O ATOM 482 CB GLU A 33 15.585 -34.821 -2.963 1.00 32.10 C ATOM 483 CG GLU A 33 16.135 -33.469 -2.542 1.00 40.34 C ATOM 484 CD GLU A 33 17.457 -33.143 -3.210 1.00 72.34 C ATOM 485 OE1 GLU A 33 17.595 -32.018 -3.734 1.00 72.05 O ATOM 486 OE2 GLU A 33 18.353 -34.013 -3.210 1.00 33.14 O ATOM 0 H GLU A 33 13.241 -35.755 -3.286 1.00 43.21 H new ATOM 0 HA GLU A 33 14.863 -33.778 -4.698 1.00 64.41 H new ATOM 0 HB2 GLU A 33 14.930 -35.198 -2.177 1.00 32.10 H new ATOM 0 HB3 GLU A 33 16.411 -35.527 -3.056 1.00 32.10 H new ATOM 0 HG2 GLU A 33 15.408 -32.694 -2.785 1.00 40.34 H new ATOM 0 HG3 GLU A 33 16.266 -33.455 -1.460 1.00 40.34 H new ATOM 493 N ASP A 34 16.657 -35.451 -5.705 1.00 42.13 N ATOM 494 CA ASP A 34 17.367 -36.296 -6.659 1.00 2.15 C ATOM 495 C ASP A 34 17.740 -37.633 -6.026 1.00 62.35 C ATOM 496 O ASP A 34 17.671 -38.678 -6.674 1.00 44.02 O ATOM 497 CB ASP A 34 18.625 -35.587 -7.162 1.00 64.25 C ATOM 498 CG ASP A 34 18.361 -34.745 -8.395 1.00 61.22 C ATOM 499 OD1 ASP A 34 19.288 -34.589 -9.218 1.00 22.25 O ATOM 500 OD2 ASP A 34 17.227 -34.243 -8.538 1.00 50.10 O ATOM 0 H ASP A 34 17.176 -34.626 -5.405 1.00 42.13 H new ATOM 0 HA ASP A 34 16.704 -36.486 -7.503 1.00 2.15 H new ATOM 0 HB2 ASP A 34 19.022 -34.952 -6.370 1.00 64.25 H new ATOM 0 HB3 ASP A 34 19.390 -36.329 -7.389 1.00 64.25 H new ATOM 505 N ASP A 35 18.136 -37.593 -4.759 1.00 42.31 N ATOM 506 CA ASP A 35 18.520 -38.801 -4.039 1.00 65.31 C ATOM 507 C ASP A 35 17.339 -39.757 -3.913 1.00 34.44 C ATOM 508 O ASP A 35 17.516 -40.953 -3.685 1.00 21.33 O ATOM 509 CB ASP A 35 19.055 -38.445 -2.651 1.00 63.31 C ATOM 510 CG ASP A 35 20.492 -37.963 -2.690 1.00 61.14 C ATOM 511 OD1 ASP A 35 21.092 -37.974 -3.786 1.00 1.41 O ATOM 512 OD2 ASP A 35 21.016 -37.574 -1.626 1.00 23.30 O ATOM 0 H ASP A 35 18.200 -36.736 -4.209 1.00 42.31 H new ATOM 0 HA ASP A 35 19.307 -39.298 -4.606 1.00 65.31 H new ATOM 0 HB2 ASP A 35 18.427 -37.671 -2.210 1.00 63.31 H new ATOM 0 HB3 ASP A 35 18.985 -39.319 -2.003 1.00 63.31 H new ATOM 517 N GLY A 36 16.131 -39.221 -4.061 1.00 40.11 N ATOM 518 CA GLY A 36 14.938 -40.040 -3.959 1.00 34.21 C ATOM 519 C GLY A 36 14.045 -39.623 -2.807 1.00 53.12 C ATOM 520 O GLY A 36 12.824 -39.775 -2.870 1.00 63.42 O ATOM 0 H GLY A 36 15.958 -38.234 -4.250 1.00 40.11 H new ATOM 0 HA2 GLY A 36 14.377 -39.976 -4.891 1.00 34.21 H new ATOM 0 HA3 GLY A 36 15.227 -41.083 -3.831 1.00 34.21 H new ATOM 524 N THR A 37 14.653 -39.095 -1.749 1.00 63.35 N ATOM 525 CA THR A 37 13.906 -38.657 -0.577 1.00 62.43 C ATOM 526 C THR A 37 13.038 -37.446 -0.899 1.00 64.33 C ATOM 527 O THR A 37 12.899 -37.061 -2.060 1.00 52.12 O ATOM 528 CB THR A 37 14.848 -38.304 0.590 1.00 72.45 C ATOM 529 OG1 THR A 37 15.600 -37.128 0.273 1.00 3.11 O ATOM 530 CG2 THR A 37 15.797 -39.455 0.886 1.00 63.41 C ATOM 0 H THR A 37 15.662 -38.960 -1.680 1.00 63.35 H new ATOM 0 HA THR A 37 13.268 -39.489 -0.280 1.00 62.43 H new ATOM 0 HB THR A 37 14.240 -38.118 1.476 1.00 72.45 H new ATOM 0 HG1 THR A 37 16.522 -37.234 0.588 1.00 3.11 H new ATOM 0 HG21 THR A 37 16.452 -39.183 1.713 1.00 63.41 H new ATOM 0 HG22 THR A 37 15.222 -40.341 1.155 1.00 63.41 H new ATOM 0 HG23 THR A 37 16.398 -39.668 0.002 1.00 63.41 H new ATOM 538 N VAL A 38 12.457 -36.849 0.136 1.00 51.41 N ATOM 539 CA VAL A 38 11.604 -35.679 -0.037 1.00 34.11 C ATOM 540 C VAL A 38 11.874 -34.637 1.042 1.00 3.14 C ATOM 541 O VAL A 38 11.970 -34.963 2.226 1.00 32.42 O ATOM 542 CB VAL A 38 10.112 -36.062 -0.002 1.00 62.45 C ATOM 543 CG1 VAL A 38 9.241 -34.816 0.024 1.00 52.03 C ATOM 544 CG2 VAL A 38 9.761 -36.943 -1.192 1.00 24.41 C ATOM 0 H VAL A 38 12.561 -37.156 1.103 1.00 51.41 H new ATOM 0 HA VAL A 38 11.841 -35.257 -1.014 1.00 34.11 H new ATOM 0 HB VAL A 38 9.921 -36.628 0.910 1.00 62.45 H new ATOM 0 HG11 VAL A 38 8.191 -35.107 0.049 1.00 52.03 H new ATOM 0 HG12 VAL A 38 9.475 -34.227 0.911 1.00 52.03 H new ATOM 0 HG13 VAL A 38 9.432 -34.220 -0.869 1.00 52.03 H new ATOM 0 HG21 VAL A 38 8.704 -37.204 -1.152 1.00 24.41 H new ATOM 0 HG22 VAL A 38 9.967 -36.404 -2.117 1.00 24.41 H new ATOM 0 HG23 VAL A 38 10.361 -37.853 -1.161 1.00 24.41 H new ATOM 554 N LEU A 39 11.997 -33.381 0.627 1.00 74.12 N ATOM 555 CA LEU A 39 12.256 -32.289 1.558 1.00 11.24 C ATOM 556 C LEU A 39 11.037 -32.019 2.434 1.00 14.02 C ATOM 557 O LEU A 39 9.913 -31.917 1.939 1.00 63.21 O ATOM 558 CB LEU A 39 12.640 -31.021 0.794 1.00 54.41 C ATOM 559 CG LEU A 39 13.954 -31.078 0.015 1.00 24.23 C ATOM 560 CD1 LEU A 39 14.102 -29.853 -0.874 1.00 23.32 C ATOM 561 CD2 LEU A 39 15.135 -31.193 0.969 1.00 15.21 C ATOM 0 H LEU A 39 11.921 -33.094 -0.349 1.00 74.12 H new ATOM 0 HA LEU A 39 13.085 -32.583 2.202 1.00 11.24 H new ATOM 0 HB2 LEU A 39 11.837 -30.785 0.096 1.00 54.41 H new ATOM 0 HB3 LEU A 39 12.698 -30.196 1.504 1.00 54.41 H new ATOM 0 HG LEU A 39 13.939 -31.963 -0.621 1.00 24.23 H new ATOM 0 HD11 LEU A 39 15.043 -29.912 -1.420 1.00 23.32 H new ATOM 0 HD12 LEU A 39 13.274 -29.815 -1.581 1.00 23.32 H new ATOM 0 HD13 LEU A 39 14.095 -28.954 -0.258 1.00 23.32 H new ATOM 0 HD21 LEU A 39 16.062 -31.232 0.397 1.00 15.21 H new ATOM 0 HD22 LEU A 39 15.154 -30.327 1.631 1.00 15.21 H new ATOM 0 HD23 LEU A 39 15.036 -32.102 1.563 1.00 15.21 H new ATOM 573 N LEU A 40 11.265 -31.902 3.738 1.00 61.05 N ATOM 574 CA LEU A 40 10.185 -31.641 4.683 1.00 25.33 C ATOM 575 C LEU A 40 9.327 -30.469 4.220 1.00 73.04 C ATOM 576 O LEU A 40 8.098 -30.525 4.278 1.00 24.02 O ATOM 577 CB LEU A 40 10.757 -31.352 6.072 1.00 13.35 C ATOM 578 CG LEU A 40 9.926 -31.848 7.256 1.00 22.35 C ATOM 579 CD1 LEU A 40 10.582 -31.454 8.571 1.00 73.01 C ATOM 580 CD2 LEU A 40 8.508 -31.301 7.180 1.00 23.22 C ATOM 0 H LEU A 40 12.188 -31.984 4.165 1.00 61.05 H new ATOM 0 HA LEU A 40 9.556 -32.530 4.733 1.00 25.33 H new ATOM 0 HB2 LEU A 40 11.748 -31.801 6.136 1.00 13.35 H new ATOM 0 HB3 LEU A 40 10.889 -30.275 6.172 1.00 13.35 H new ATOM 0 HG LEU A 40 9.877 -32.936 7.210 1.00 22.35 H new ATOM 0 HD11 LEU A 40 9.977 -31.815 9.402 1.00 73.01 H new ATOM 0 HD12 LEU A 40 11.577 -31.895 8.628 1.00 73.01 H new ATOM 0 HD13 LEU A 40 10.663 -30.368 8.626 1.00 73.01 H new ATOM 0 HD21 LEU A 40 7.932 -31.665 8.031 1.00 23.22 H new ATOM 0 HD22 LEU A 40 8.537 -30.212 7.200 1.00 23.22 H new ATOM 0 HD23 LEU A 40 8.039 -31.634 6.255 1.00 23.22 H new ATOM 592 N SER A 41 9.982 -29.409 3.757 1.00 54.11 N ATOM 593 CA SER A 41 9.278 -28.222 3.284 1.00 21.32 C ATOM 594 C SER A 41 8.215 -28.595 2.255 1.00 45.32 C ATOM 595 O SER A 41 7.148 -27.983 2.197 1.00 70.30 O ATOM 596 CB SER A 41 10.267 -27.226 2.676 1.00 51.13 C ATOM 597 OG SER A 41 10.111 -25.939 3.248 1.00 51.25 O ATOM 0 H SER A 41 10.999 -29.348 3.699 1.00 54.11 H new ATOM 0 HA SER A 41 8.784 -27.757 4.138 1.00 21.32 H new ATOM 0 HB2 SER A 41 11.286 -27.577 2.836 1.00 51.13 H new ATOM 0 HB3 SER A 41 10.115 -27.169 1.598 1.00 51.13 H new ATOM 0 HG SER A 41 10.756 -25.321 2.844 1.00 51.25 H new ATOM 603 N THR A 42 8.515 -29.603 1.442 1.00 24.21 N ATOM 604 CA THR A 42 7.588 -30.058 0.414 1.00 43.34 C ATOM 605 C THR A 42 6.404 -30.794 1.028 1.00 34.30 C ATOM 606 O THR A 42 5.277 -30.694 0.541 1.00 22.24 O ATOM 607 CB THR A 42 8.285 -30.985 -0.601 1.00 13.34 C ATOM 608 OG1 THR A 42 9.496 -30.380 -1.066 1.00 2.51 O ATOM 609 CG2 THR A 42 7.372 -31.277 -1.782 1.00 32.43 C ATOM 0 H THR A 42 9.394 -30.120 1.476 1.00 24.21 H new ATOM 0 HA THR A 42 7.230 -29.169 -0.104 1.00 43.34 H new ATOM 0 HB THR A 42 8.518 -31.925 -0.101 1.00 13.34 H new ATOM 0 HG1 THR A 42 9.934 -30.976 -1.709 1.00 2.51 H new ATOM 0 HG21 THR A 42 7.885 -31.933 -2.485 1.00 32.43 H new ATOM 0 HG22 THR A 42 6.464 -31.764 -1.428 1.00 32.43 H new ATOM 0 HG23 THR A 42 7.112 -30.343 -2.281 1.00 32.43 H new ATOM 617 N VAL A 43 6.665 -31.534 2.101 1.00 74.51 N ATOM 618 CA VAL A 43 5.619 -32.287 2.783 1.00 12.04 C ATOM 619 C VAL A 43 4.573 -31.354 3.384 1.00 24.02 C ATOM 620 O VAL A 43 3.376 -31.643 3.355 1.00 45.31 O ATOM 621 CB VAL A 43 6.203 -33.173 3.900 1.00 15.11 C ATOM 622 CG1 VAL A 43 5.137 -33.500 4.935 1.00 54.51 C ATOM 623 CG2 VAL A 43 6.796 -34.445 3.315 1.00 65.15 C ATOM 0 H VAL A 43 7.592 -31.628 2.517 1.00 74.51 H new ATOM 0 HA VAL A 43 5.147 -32.923 2.034 1.00 12.04 H new ATOM 0 HB VAL A 43 7.001 -32.622 4.397 1.00 15.11 H new ATOM 0 HG11 VAL A 43 5.568 -34.126 5.716 1.00 54.51 H new ATOM 0 HG12 VAL A 43 4.763 -32.576 5.376 1.00 54.51 H new ATOM 0 HG13 VAL A 43 4.315 -34.032 4.455 1.00 54.51 H new ATOM 0 HG21 VAL A 43 7.204 -35.059 4.118 1.00 65.15 H new ATOM 0 HG22 VAL A 43 6.019 -35.002 2.792 1.00 65.15 H new ATOM 0 HG23 VAL A 43 7.591 -34.187 2.615 1.00 65.15 H new ATOM 633 N THR A 44 5.033 -30.232 3.929 1.00 11.13 N ATOM 634 CA THR A 44 4.138 -29.256 4.538 1.00 1.30 C ATOM 635 C THR A 44 3.313 -28.532 3.480 1.00 34.04 C ATOM 636 O THR A 44 2.207 -28.067 3.754 1.00 54.21 O ATOM 637 CB THR A 44 4.919 -28.216 5.364 1.00 41.15 C ATOM 638 OG1 THR A 44 5.699 -27.386 4.495 1.00 34.10 O ATOM 639 CG2 THR A 44 5.830 -28.899 6.372 1.00 32.24 C ATOM 0 H THR A 44 6.020 -29.977 3.961 1.00 11.13 H new ATOM 0 HA THR A 44 3.471 -29.808 5.200 1.00 1.30 H new ATOM 0 HB THR A 44 4.200 -27.601 5.906 1.00 41.15 H new ATOM 0 HG1 THR A 44 6.077 -27.931 3.774 1.00 34.10 H new ATOM 0 HG21 THR A 44 6.371 -28.145 6.943 1.00 32.24 H new ATOM 0 HG22 THR A 44 5.231 -29.507 7.050 1.00 32.24 H new ATOM 0 HG23 THR A 44 6.542 -29.535 5.846 1.00 32.24 H new ATOM 647 N ALA A 45 3.857 -28.441 2.271 1.00 30.24 N ATOM 648 CA ALA A 45 3.169 -27.776 1.172 1.00 71.32 C ATOM 649 C ALA A 45 1.738 -28.284 1.033 1.00 73.14 C ATOM 650 O ALA A 45 0.799 -27.496 0.923 1.00 73.34 O ATOM 651 CB ALA A 45 3.932 -27.980 -0.129 1.00 21.14 C ATOM 0 H ALA A 45 4.772 -28.820 2.028 1.00 30.24 H new ATOM 0 HA ALA A 45 3.129 -26.710 1.393 1.00 71.32 H new ATOM 0 HB1 ALA A 45 3.407 -27.478 -0.941 1.00 21.14 H new ATOM 0 HB2 ALA A 45 4.934 -27.563 -0.032 1.00 21.14 H new ATOM 0 HB3 ALA A 45 4.002 -29.046 -0.346 1.00 21.14 H new ATOM 657 N GLN A 46 1.580 -29.604 1.038 1.00 52.34 N ATOM 658 CA GLN A 46 0.262 -30.215 0.910 1.00 23.42 C ATOM 659 C GLN A 46 -0.222 -30.749 2.254 1.00 32.13 C ATOM 660 O GLN A 46 -1.416 -30.713 2.554 1.00 22.23 O ATOM 661 CB GLN A 46 0.300 -31.347 -0.118 1.00 35.30 C ATOM 662 CG GLN A 46 1.316 -31.129 -1.227 1.00 53.52 C ATOM 663 CD GLN A 46 1.335 -32.263 -2.233 1.00 4.23 C ATOM 664 OE1 GLN A 46 1.333 -32.035 -3.443 1.00 24.21 O ATOM 665 NE2 GLN A 46 1.355 -33.494 -1.736 1.00 73.32 N ATOM 0 H GLN A 46 2.347 -30.270 1.129 1.00 52.34 H new ATOM 0 HA GLN A 46 -0.435 -29.449 0.571 1.00 23.42 H new ATOM 0 HB2 GLN A 46 0.528 -32.283 0.393 1.00 35.30 H new ATOM 0 HB3 GLN A 46 -0.690 -31.458 -0.560 1.00 35.30 H new ATOM 0 HG2 GLN A 46 1.091 -30.195 -1.742 1.00 53.52 H new ATOM 0 HG3 GLN A 46 2.308 -31.020 -0.789 1.00 53.52 H new ATOM 0 HE21 GLN A 46 1.356 -33.636 -0.726 1.00 73.32 H new ATOM 0 HE22 GLN A 46 1.370 -34.297 -2.364 1.00 73.32 H new ATOM 674 N PHE A 47 0.711 -31.244 3.060 1.00 63.40 N ATOM 675 CA PHE A 47 0.379 -31.787 4.372 1.00 22.21 C ATOM 676 C PHE A 47 1.011 -30.952 5.482 1.00 64.41 C ATOM 677 O PHE A 47 2.034 -31.318 6.063 1.00 53.14 O ATOM 678 CB PHE A 47 0.848 -33.239 4.480 1.00 25.44 C ATOM 679 CG PHE A 47 0.741 -34.002 3.191 1.00 41.12 C ATOM 680 CD1 PHE A 47 -0.439 -33.998 2.464 1.00 4.33 C ATOM 681 CD2 PHE A 47 1.820 -34.723 2.705 1.00 31.44 C ATOM 682 CE1 PHE A 47 -0.541 -34.698 1.277 1.00 43.01 C ATOM 683 CE2 PHE A 47 1.724 -35.425 1.519 1.00 71.14 C ATOM 684 CZ PHE A 47 0.542 -35.413 0.804 1.00 32.41 C ATOM 0 H PHE A 47 1.704 -31.280 2.828 1.00 63.40 H new ATOM 0 HA PHE A 47 -0.704 -31.753 4.488 1.00 22.21 H new ATOM 0 HB2 PHE A 47 1.885 -33.253 4.816 1.00 25.44 H new ATOM 0 HB3 PHE A 47 0.258 -33.747 5.243 1.00 25.44 H new ATOM 0 HD1 PHE A 47 -1.289 -33.441 2.830 1.00 4.33 H new ATOM 0 HD2 PHE A 47 2.747 -34.736 3.260 1.00 31.44 H new ATOM 0 HE1 PHE A 47 -1.466 -34.686 0.720 1.00 43.01 H new ATOM 0 HE2 PHE A 47 2.572 -35.983 1.151 1.00 71.14 H new ATOM 0 HZ PHE A 47 0.465 -35.962 -0.123 1.00 32.41 H new ATOM 694 N PRO A 48 0.390 -29.803 5.784 1.00 11.20 N ATOM 695 CA PRO A 48 0.873 -28.892 6.826 1.00 44.54 C ATOM 696 C PRO A 48 0.699 -29.468 8.227 1.00 42.25 C ATOM 697 O PRO A 48 -0.386 -29.918 8.593 1.00 43.51 O ATOM 698 CB PRO A 48 -0.003 -27.650 6.645 1.00 13.23 C ATOM 699 CG PRO A 48 -1.251 -28.156 6.009 1.00 35.41 C ATOM 700 CD PRO A 48 -0.833 -29.304 5.133 1.00 60.34 C ATOM 0 HA PRO A 48 1.941 -28.695 6.732 1.00 44.54 H new ATOM 0 HB2 PRO A 48 -0.212 -27.170 7.601 1.00 13.23 H new ATOM 0 HB3 PRO A 48 0.488 -26.907 6.017 1.00 13.23 H new ATOM 0 HG2 PRO A 48 -1.969 -28.481 6.762 1.00 35.41 H new ATOM 0 HG3 PRO A 48 -1.735 -27.374 5.423 1.00 35.41 H new ATOM 0 HD2 PRO A 48 -1.604 -30.073 5.083 1.00 60.34 H new ATOM 0 HD3 PRO A 48 -0.640 -28.980 4.110 1.00 60.34 H new ATOM 708 N GLY A 49 1.776 -29.451 9.007 1.00 52.32 N ATOM 709 CA GLY A 49 1.720 -29.974 10.359 1.00 21.22 C ATOM 710 C GLY A 49 2.111 -31.437 10.431 1.00 3.13 C ATOM 711 O GLY A 49 2.629 -31.898 11.448 1.00 64.44 O ATOM 0 H GLY A 49 2.686 -29.084 8.726 1.00 52.32 H new ATOM 0 HA2 GLY A 49 2.384 -29.392 10.998 1.00 21.22 H new ATOM 0 HA3 GLY A 49 0.711 -29.851 10.751 1.00 21.22 H new ATOM 715 N ALA A 50 1.861 -32.169 9.350 1.00 3.43 N ATOM 716 CA ALA A 50 2.191 -33.587 9.295 1.00 22.32 C ATOM 717 C ALA A 50 3.646 -33.828 9.685 1.00 34.31 C ATOM 718 O ALA A 50 4.564 -33.430 8.968 1.00 24.11 O ATOM 719 CB ALA A 50 1.917 -34.139 7.904 1.00 63.10 C ATOM 0 H ALA A 50 1.431 -31.803 8.501 1.00 3.43 H new ATOM 0 HA ALA A 50 1.559 -34.110 10.013 1.00 22.32 H new ATOM 0 HB1 ALA A 50 2.168 -35.199 7.877 1.00 63.10 H new ATOM 0 HB2 ALA A 50 0.862 -34.010 7.663 1.00 63.10 H new ATOM 0 HB3 ALA A 50 2.524 -33.604 7.174 1.00 63.10 H new ATOM 725 N CYS A 51 3.847 -34.481 10.824 1.00 22.02 N ATOM 726 CA CYS A 51 5.191 -34.774 11.310 1.00 1.32 C ATOM 727 C CYS A 51 5.722 -36.064 10.695 1.00 24.45 C ATOM 728 O CYS A 51 6.866 -36.125 10.246 1.00 21.33 O ATOM 729 CB CYS A 51 5.192 -34.883 12.836 1.00 53.14 C ATOM 730 SG CYS A 51 6.800 -34.566 13.598 1.00 65.22 S ATOM 0 H CYS A 51 3.097 -34.818 11.428 1.00 22.02 H new ATOM 0 HA CYS A 51 5.845 -33.955 11.012 1.00 1.32 H new ATOM 0 HB2 CYS A 51 4.465 -34.178 13.240 1.00 53.14 H new ATOM 0 HB3 CYS A 51 4.859 -35.882 13.118 1.00 53.14 H new ATOM 0 HG CYS A 51 6.698 -34.680 14.889 1.00 65.22 H new ATOM 736 N GLY A 52 4.884 -37.096 10.681 1.00 74.14 N ATOM 737 CA GLY A 52 5.287 -38.373 10.121 1.00 45.53 C ATOM 738 C GLY A 52 4.242 -38.954 9.190 1.00 31.31 C ATOM 739 O GLY A 52 3.042 -38.765 9.396 1.00 23.44 O ATOM 0 H GLY A 52 3.933 -37.071 11.048 1.00 74.14 H new ATOM 0 HA2 GLY A 52 6.224 -38.249 9.578 1.00 45.53 H new ATOM 0 HA3 GLY A 52 5.479 -39.077 10.931 1.00 45.53 H new ATOM 743 N LEU A 53 4.696 -39.662 8.162 1.00 72.50 N ATOM 744 CA LEU A 53 3.791 -40.273 7.194 1.00 13.13 C ATOM 745 C LEU A 53 3.868 -41.795 7.262 1.00 55.24 C ATOM 746 O LEU A 53 4.946 -42.365 7.428 1.00 12.04 O ATOM 747 CB LEU A 53 4.127 -39.796 5.780 1.00 1.14 C ATOM 748 CG LEU A 53 4.416 -38.302 5.627 1.00 73.22 C ATOM 749 CD1 LEU A 53 3.473 -37.484 6.496 1.00 23.32 C ATOM 750 CD2 LEU A 53 5.865 -38.000 5.978 1.00 63.21 C ATOM 0 H LEU A 53 5.685 -39.827 7.977 1.00 72.50 H new ATOM 0 HA LEU A 53 2.774 -39.968 7.441 1.00 13.13 H new ATOM 0 HB2 LEU A 53 4.996 -40.352 5.427 1.00 1.14 H new ATOM 0 HB3 LEU A 53 3.296 -40.054 5.124 1.00 1.14 H new ATOM 0 HG LEU A 53 4.250 -38.024 4.586 1.00 73.22 H new ATOM 0 HD11 LEU A 53 3.694 -36.424 6.374 1.00 23.32 H new ATOM 0 HD12 LEU A 53 2.443 -37.677 6.197 1.00 23.32 H new ATOM 0 HD13 LEU A 53 3.606 -37.764 7.541 1.00 23.32 H new ATOM 0 HD21 LEU A 53 6.052 -36.932 5.863 1.00 63.21 H new ATOM 0 HD22 LEU A 53 6.058 -38.294 7.010 1.00 63.21 H new ATOM 0 HD23 LEU A 53 6.524 -38.557 5.313 1.00 63.21 H new ATOM 762 N ARG A 54 2.717 -42.447 7.129 1.00 40.44 N ATOM 763 CA ARG A 54 2.654 -43.903 7.173 1.00 2.53 C ATOM 764 C ARG A 54 2.418 -44.479 5.780 1.00 24.55 C ATOM 765 O ARG A 54 2.039 -43.761 4.856 1.00 53.32 O ATOM 766 CB ARG A 54 1.542 -44.357 8.120 1.00 23.44 C ATOM 767 CG ARG A 54 1.902 -45.590 8.934 1.00 75.23 C ATOM 768 CD ARG A 54 1.736 -45.342 10.425 1.00 55.43 C ATOM 769 NE ARG A 54 0.458 -45.844 10.925 1.00 44.25 N ATOM 770 CZ ARG A 54 0.217 -47.128 11.165 1.00 10.30 C ATOM 771 NH1 ARG A 54 1.161 -48.034 10.953 1.00 30.20 N ATOM 772 NH2 ARG A 54 -0.971 -47.507 11.619 1.00 3.11 N ATOM 0 H ARG A 54 1.816 -41.990 6.990 1.00 40.44 H new ATOM 0 HA ARG A 54 3.610 -44.273 7.543 1.00 2.53 H new ATOM 0 HB2 ARG A 54 1.300 -43.541 8.800 1.00 23.44 H new ATOM 0 HB3 ARG A 54 0.644 -44.565 7.539 1.00 23.44 H new ATOM 0 HG2 ARG A 54 1.270 -46.425 8.630 1.00 75.23 H new ATOM 0 HG3 ARG A 54 2.932 -45.877 8.724 1.00 75.23 H new ATOM 0 HD2 ARG A 54 2.551 -45.824 10.965 1.00 55.43 H new ATOM 0 HD3 ARG A 54 1.809 -44.273 10.625 1.00 55.43 H new ATOM 0 HE ARG A 54 -0.289 -45.172 11.099 1.00 44.25 H new ATOM 0 HH11 ARG A 54 2.075 -47.746 10.605 1.00 30.20 H new ATOM 0 HH12 ARG A 54 0.973 -49.019 11.138 1.00 30.20 H new ATOM 0 HH21 ARG A 54 -1.699 -46.812 11.784 1.00 3.11 H new ATOM 0 HH22 ARG A 54 -1.156 -48.493 11.803 1.00 3.11 H new ATOM 786 N TYR A 55 2.646 -45.780 5.638 1.00 24.35 N ATOM 787 CA TYR A 55 2.462 -46.453 4.358 1.00 32.43 C ATOM 788 C TYR A 55 1.170 -47.264 4.350 1.00 35.34 C ATOM 789 O TYR A 55 0.920 -48.065 5.252 1.00 3.41 O ATOM 790 CB TYR A 55 3.652 -47.367 4.062 1.00 22.24 C ATOM 791 CG TYR A 55 4.445 -46.953 2.843 1.00 32.41 C ATOM 792 CD1 TYR A 55 3.859 -46.934 1.583 1.00 12.23 C ATOM 793 CD2 TYR A 55 5.780 -46.583 2.950 1.00 34.23 C ATOM 794 CE1 TYR A 55 4.579 -46.557 0.466 1.00 21.22 C ATOM 795 CE2 TYR A 55 6.507 -46.204 1.839 1.00 41.20 C ATOM 796 CZ TYR A 55 5.903 -46.193 0.599 1.00 14.43 C ATOM 797 OH TYR A 55 6.624 -45.817 -0.510 1.00 43.44 O ATOM 0 H TYR A 55 2.959 -46.389 6.394 1.00 24.35 H new ATOM 0 HA TYR A 55 2.396 -45.690 3.582 1.00 32.43 H new ATOM 0 HB2 TYR A 55 4.314 -47.380 4.928 1.00 22.24 H new ATOM 0 HB3 TYR A 55 3.291 -48.386 3.921 1.00 22.24 H new ATOM 0 HD1 TYR A 55 2.823 -47.219 1.475 1.00 12.23 H new ATOM 0 HD2 TYR A 55 6.257 -46.592 3.919 1.00 34.23 H new ATOM 0 HE1 TYR A 55 4.108 -46.547 -0.506 1.00 21.22 H new ATOM 0 HE2 TYR A 55 7.543 -45.918 1.940 1.00 41.20 H new ATOM 0 HH TYR A 55 6.009 -45.565 -1.230 1.00 43.44 H new ATOM 807 N ARG A 56 0.351 -47.051 3.325 1.00 22.12 N ATOM 808 CA ARG A 56 -0.916 -47.761 3.199 1.00 40.13 C ATOM 809 C ARG A 56 -1.039 -48.413 1.825 1.00 62.42 C ATOM 810 O ARG A 56 -1.390 -47.758 0.845 1.00 72.12 O ATOM 811 CB ARG A 56 -2.087 -46.803 3.427 1.00 44.35 C ATOM 812 CG ARG A 56 -3.406 -47.310 2.869 1.00 34.20 C ATOM 813 CD ARG A 56 -3.724 -48.708 3.375 1.00 33.45 C ATOM 814 NE ARG A 56 -4.895 -49.277 2.713 1.00 20.43 N ATOM 815 CZ ARG A 56 -5.626 -50.259 3.229 1.00 15.11 C ATOM 816 NH1 ARG A 56 -5.310 -50.777 4.408 1.00 62.24 N ATOM 817 NH2 ARG A 56 -6.678 -50.723 2.566 1.00 63.51 N ATOM 0 H ARG A 56 0.542 -46.392 2.570 1.00 22.12 H new ATOM 0 HA ARG A 56 -0.942 -48.543 3.958 1.00 40.13 H new ATOM 0 HB2 ARG A 56 -2.198 -46.627 4.497 1.00 44.35 H new ATOM 0 HB3 ARG A 56 -1.854 -45.842 2.969 1.00 44.35 H new ATOM 0 HG2 ARG A 56 -4.208 -46.628 3.152 1.00 34.20 H new ATOM 0 HG3 ARG A 56 -3.363 -47.317 1.780 1.00 34.20 H new ATOM 0 HD2 ARG A 56 -2.864 -49.357 3.211 1.00 33.45 H new ATOM 0 HD3 ARG A 56 -3.897 -48.674 4.451 1.00 33.45 H new ATOM 0 HE ARG A 56 -5.166 -48.900 1.805 1.00 20.43 H new ATOM 0 HH11 ARG A 56 -4.504 -50.422 4.922 1.00 62.24 H new ATOM 0 HH12 ARG A 56 -5.873 -51.531 4.801 1.00 62.24 H new ATOM 0 HH21 ARG A 56 -6.926 -50.326 1.660 1.00 63.51 H new ATOM 0 HH22 ARG A 56 -7.239 -51.477 2.963 1.00 63.51 H new ATOM 831 N ASN A 57 -0.746 -49.708 1.762 1.00 32.42 N ATOM 832 CA ASN A 57 -0.823 -50.449 0.508 1.00 22.55 C ATOM 833 C ASN A 57 -1.844 -51.578 0.605 1.00 34.54 C ATOM 834 O ASN A 57 -1.936 -52.282 1.612 1.00 43.31 O ATOM 835 CB ASN A 57 0.550 -51.019 0.144 1.00 52.44 C ATOM 836 CG ASN A 57 0.899 -50.795 -1.315 1.00 3.00 C ATOM 837 OD1 ASN A 57 0.449 -49.829 -1.932 1.00 21.33 O ATOM 838 ND2 ASN A 57 1.706 -51.690 -1.874 1.00 11.22 N ATOM 0 H ASN A 57 -0.453 -50.266 2.564 1.00 32.42 H new ATOM 0 HA ASN A 57 -1.143 -49.760 -0.274 1.00 22.55 H new ATOM 0 HB2 ASN A 57 1.311 -50.556 0.772 1.00 52.44 H new ATOM 0 HB3 ASN A 57 0.566 -52.087 0.359 1.00 52.44 H new ATOM 0 HD21 ASN A 57 1.976 -51.592 -2.853 1.00 11.22 H new ATOM 0 HD22 ASN A 57 2.055 -52.475 -1.325 1.00 11.22 H new ATOM 962 N VAL A 66 6.861 -44.700 5.684 1.00 63.21 N ATOM 963 CA VAL A 66 7.817 -43.709 5.205 1.00 63.11 C ATOM 964 C VAL A 66 8.820 -43.342 6.293 1.00 62.20 C ATOM 965 O VAL A 66 8.446 -43.105 7.442 1.00 42.24 O ATOM 966 CB VAL A 66 7.106 -42.430 4.725 1.00 44.22 C ATOM 967 CG1 VAL A 66 8.123 -41.384 4.293 1.00 11.23 C ATOM 968 CG2 VAL A 66 6.144 -42.749 3.591 1.00 32.30 C ATOM 0 HA VAL A 66 8.346 -44.159 4.365 1.00 63.11 H new ATOM 0 HB VAL A 66 6.530 -42.022 5.556 1.00 44.22 H new ATOM 0 HG11 VAL A 66 7.602 -40.487 3.957 1.00 11.23 H new ATOM 0 HG12 VAL A 66 8.769 -41.135 5.135 1.00 11.23 H new ATOM 0 HG13 VAL A 66 8.728 -41.780 3.477 1.00 11.23 H new ATOM 0 HG21 VAL A 66 5.650 -41.834 3.264 1.00 32.30 H new ATOM 0 HG22 VAL A 66 6.696 -43.181 2.756 1.00 32.30 H new ATOM 0 HG23 VAL A 66 5.395 -43.461 3.938 1.00 32.30 H new ATOM 978 N ARG A 67 10.096 -43.297 5.923 1.00 31.13 N ATOM 979 CA ARG A 67 11.154 -42.960 6.868 1.00 13.41 C ATOM 980 C ARG A 67 11.360 -41.449 6.937 1.00 70.34 C ATOM 981 O ARG A 67 11.284 -40.755 5.922 1.00 3.10 O ATOM 982 CB ARG A 67 12.461 -43.646 6.469 1.00 23.12 C ATOM 983 CG ARG A 67 13.668 -43.163 7.257 1.00 31.13 C ATOM 984 CD ARG A 67 13.534 -43.490 8.736 1.00 2.24 C ATOM 985 NE ARG A 67 14.434 -42.685 9.558 1.00 10.12 N ATOM 986 CZ ARG A 67 15.719 -42.971 9.738 1.00 35.24 C ATOM 987 NH1 ARG A 67 16.251 -44.037 9.157 1.00 23.23 N ATOM 988 NH2 ARG A 67 16.473 -42.190 10.501 1.00 61.22 N ATOM 0 H ARG A 67 10.422 -43.490 4.976 1.00 31.13 H new ATOM 0 HA ARG A 67 10.853 -43.314 7.854 1.00 13.41 H new ATOM 0 HB2 ARG A 67 12.354 -44.722 6.608 1.00 23.12 H new ATOM 0 HB3 ARG A 67 12.640 -43.478 5.407 1.00 23.12 H new ATOM 0 HG2 ARG A 67 14.572 -43.626 6.861 1.00 31.13 H new ATOM 0 HG3 ARG A 67 13.780 -42.086 7.130 1.00 31.13 H new ATOM 0 HD2 ARG A 67 12.505 -43.321 9.053 1.00 2.24 H new ATOM 0 HD3 ARG A 67 13.747 -44.547 8.894 1.00 2.24 H new ATOM 0 HE ARG A 67 14.055 -41.858 10.019 1.00 10.12 H new ATOM 0 HH11 ARG A 67 15.674 -44.640 8.570 1.00 23.23 H new ATOM 0 HH12 ARG A 67 17.238 -44.255 9.296 1.00 23.23 H new ATOM 0 HH21 ARG A 67 16.066 -41.369 10.950 1.00 61.22 H new ATOM 0 HH22 ARG A 67 17.459 -42.410 10.639 1.00 61.22 H new ATOM 1002 N LEU A 68 11.620 -40.947 8.139 1.00 41.15 N ATOM 1003 CA LEU A 68 11.837 -39.518 8.340 1.00 31.52 C ATOM 1004 C LEU A 68 13.146 -39.266 9.082 1.00 54.30 C ATOM 1005 O LEU A 68 13.319 -39.699 10.221 1.00 25.11 O ATOM 1006 CB LEU A 68 10.670 -38.910 9.120 1.00 72.51 C ATOM 1007 CG LEU A 68 10.816 -37.439 9.507 1.00 12.55 C ATOM 1008 CD1 LEU A 68 11.587 -37.304 10.811 1.00 45.30 C ATOM 1009 CD2 LEU A 68 11.503 -36.660 8.395 1.00 4.14 C ATOM 0 H LEU A 68 11.686 -41.507 8.989 1.00 41.15 H new ATOM 0 HA LEU A 68 11.898 -39.043 7.361 1.00 31.52 H new ATOM 0 HB2 LEU A 68 9.764 -39.020 8.524 1.00 72.51 H new ATOM 0 HB3 LEU A 68 10.525 -39.492 10.030 1.00 72.51 H new ATOM 0 HG LEU A 68 9.820 -37.021 9.653 1.00 12.55 H new ATOM 0 HD11 LEU A 68 11.681 -36.250 11.071 1.00 45.30 H new ATOM 0 HD12 LEU A 68 11.054 -37.827 11.605 1.00 45.30 H new ATOM 0 HD13 LEU A 68 12.580 -37.739 10.693 1.00 45.30 H new ATOM 0 HD21 LEU A 68 11.598 -35.615 8.688 1.00 4.14 H new ATOM 0 HD22 LEU A 68 12.493 -37.078 8.216 1.00 4.14 H new ATOM 0 HD23 LEU A 68 10.910 -36.728 7.483 1.00 4.14 H new ATOM 1021 N VAL A 69 14.063 -38.560 8.429 1.00 2.51 N ATOM 1022 CA VAL A 69 15.355 -38.246 9.028 1.00 40.33 C ATOM 1023 C VAL A 69 15.767 -36.810 8.724 1.00 1.40 C ATOM 1024 O VAL A 69 15.922 -36.431 7.564 1.00 52.43 O ATOM 1025 CB VAL A 69 16.454 -39.201 8.524 1.00 13.34 C ATOM 1026 CG1 VAL A 69 16.435 -39.284 7.006 1.00 55.13 C ATOM 1027 CG2 VAL A 69 17.819 -38.753 9.025 1.00 54.11 C ATOM 0 H VAL A 69 13.936 -38.195 7.485 1.00 2.51 H new ATOM 0 HA VAL A 69 15.243 -38.369 10.105 1.00 40.33 H new ATOM 0 HB VAL A 69 16.256 -40.197 8.920 1.00 13.34 H new ATOM 0 HG11 VAL A 69 17.218 -39.963 6.669 1.00 55.13 H new ATOM 0 HG12 VAL A 69 15.465 -39.655 6.674 1.00 55.13 H new ATOM 0 HG13 VAL A 69 16.608 -38.293 6.585 1.00 55.13 H new ATOM 0 HG21 VAL A 69 18.584 -39.439 8.660 1.00 54.11 H new ATOM 0 HG22 VAL A 69 18.029 -37.748 8.660 1.00 54.11 H new ATOM 0 HG23 VAL A 69 17.824 -38.751 10.115 1.00 54.11 H new ATOM 1037 N GLU A 70 15.944 -36.015 9.775 1.00 34.54 N ATOM 1038 CA GLU A 70 16.338 -34.620 9.620 1.00 33.13 C ATOM 1039 C GLU A 70 15.285 -33.841 8.836 1.00 23.52 C ATOM 1040 O GLU A 70 15.595 -32.852 8.174 1.00 71.23 O ATOM 1041 CB GLU A 70 17.691 -34.525 8.912 1.00 12.03 C ATOM 1042 CG GLU A 70 18.752 -35.439 9.502 1.00 51.10 C ATOM 1043 CD GLU A 70 20.084 -34.740 9.691 1.00 63.13 C ATOM 1044 OE1 GLU A 70 20.719 -34.950 10.746 1.00 43.05 O ATOM 1045 OE2 GLU A 70 20.492 -33.984 8.785 1.00 51.33 O ATOM 0 H GLU A 70 15.821 -36.313 10.743 1.00 34.54 H new ATOM 0 HA GLU A 70 16.425 -34.181 10.614 1.00 33.13 H new ATOM 0 HB2 GLU A 70 17.558 -34.769 7.858 1.00 12.03 H new ATOM 0 HB3 GLU A 70 18.044 -33.495 8.958 1.00 12.03 H new ATOM 0 HG2 GLU A 70 18.406 -35.819 10.463 1.00 51.10 H new ATOM 0 HG3 GLU A 70 18.888 -36.301 8.849 1.00 51.10 H new ATOM 1052 N GLY A 71 14.039 -34.297 8.917 1.00 54.23 N ATOM 1053 CA GLY A 71 12.959 -33.633 8.210 1.00 41.51 C ATOM 1054 C GLY A 71 12.764 -34.174 6.808 1.00 61.52 C ATOM 1055 O GLY A 71 11.665 -34.108 6.257 1.00 32.21 O ATOM 0 H GLY A 71 13.758 -35.114 9.459 1.00 54.23 H new ATOM 0 HA2 GLY A 71 12.033 -33.751 8.774 1.00 41.51 H new ATOM 0 HA3 GLY A 71 13.166 -32.564 8.158 1.00 41.51 H new ATOM 1059 N ILE A 72 13.833 -34.710 6.228 1.00 21.34 N ATOM 1060 CA ILE A 72 13.774 -35.265 4.882 1.00 40.13 C ATOM 1061 C ILE A 72 13.185 -36.671 4.892 1.00 74.23 C ATOM 1062 O ILE A 72 13.785 -37.604 5.426 1.00 23.34 O ATOM 1063 CB ILE A 72 15.169 -35.310 4.230 1.00 54.54 C ATOM 1064 CG1 ILE A 72 15.766 -33.903 4.156 1.00 42.15 C ATOM 1065 CG2 ILE A 72 15.085 -35.929 2.843 1.00 61.24 C ATOM 1066 CD1 ILE A 72 17.049 -33.749 4.942 1.00 63.43 C ATOM 0 H ILE A 72 14.750 -34.771 6.670 1.00 21.34 H new ATOM 0 HA ILE A 72 13.130 -34.608 4.298 1.00 40.13 H new ATOM 0 HB ILE A 72 15.822 -35.930 4.844 1.00 54.54 H new ATOM 0 HG12 ILE A 72 15.956 -33.652 3.112 1.00 42.15 H new ATOM 0 HG13 ILE A 72 15.034 -33.186 4.527 1.00 42.15 H new ATOM 0 HG21 ILE A 72 16.078 -35.954 2.395 1.00 61.24 H new ATOM 0 HG22 ILE A 72 14.696 -36.944 2.921 1.00 61.24 H new ATOM 0 HG23 ILE A 72 14.420 -35.333 2.218 1.00 61.24 H new ATOM 0 HD11 ILE A 72 17.415 -32.727 4.844 1.00 63.43 H new ATOM 0 HD12 ILE A 72 16.860 -33.968 5.993 1.00 63.43 H new ATOM 0 HD13 ILE A 72 17.797 -34.441 4.556 1.00 63.43 H new ATOM 1078 N LEU A 73 12.006 -36.817 4.296 1.00 63.01 N ATOM 1079 CA LEU A 73 11.335 -38.111 4.234 1.00 42.21 C ATOM 1080 C LEU A 73 12.033 -39.040 3.246 1.00 43.43 C ATOM 1081 O LEU A 73 12.046 -38.785 2.041 1.00 74.32 O ATOM 1082 CB LEU A 73 9.870 -37.929 3.833 1.00 43.12 C ATOM 1083 CG LEU A 73 8.937 -37.400 4.922 1.00 33.54 C ATOM 1084 CD1 LEU A 73 8.986 -38.298 6.149 1.00 3.22 C ATOM 1085 CD2 LEU A 73 9.302 -35.970 5.290 1.00 5.15 C ATOM 0 H LEU A 73 11.495 -36.055 3.849 1.00 63.01 H new ATOM 0 HA LEU A 73 11.381 -38.564 5.224 1.00 42.21 H new ATOM 0 HB2 LEU A 73 9.829 -37.247 2.984 1.00 43.12 H new ATOM 0 HB3 LEU A 73 9.486 -38.889 3.489 1.00 43.12 H new ATOM 0 HG LEU A 73 7.918 -37.404 4.534 1.00 33.54 H new ATOM 0 HD11 LEU A 73 8.316 -37.906 6.914 1.00 3.22 H new ATOM 0 HD12 LEU A 73 8.674 -39.306 5.875 1.00 3.22 H new ATOM 0 HD13 LEU A 73 10.004 -38.327 6.539 1.00 3.22 H new ATOM 0 HD21 LEU A 73 8.627 -35.611 6.067 1.00 5.15 H new ATOM 0 HD22 LEU A 73 10.328 -35.939 5.658 1.00 5.15 H new ATOM 0 HD23 LEU A 73 9.213 -35.334 4.409 1.00 5.15 H new ATOM 1097 N HIS A 74 12.612 -40.119 3.763 1.00 1.42 N ATOM 1098 CA HIS A 74 13.310 -41.088 2.926 1.00 41.33 C ATOM 1099 C HIS A 74 12.329 -42.083 2.314 1.00 61.13 C ATOM 1100 O HIS A 74 11.270 -42.353 2.880 1.00 63.55 O ATOM 1101 CB HIS A 74 14.367 -41.832 3.743 1.00 52.24 C ATOM 1102 CG HIS A 74 15.726 -41.822 3.114 1.00 2.01 C ATOM 1103 ND1 HIS A 74 15.990 -42.383 1.882 1.00 0.24 N ATOM 1104 CD2 HIS A 74 16.901 -41.313 3.554 1.00 61.25 C ATOM 1105 CE1 HIS A 74 17.269 -42.221 1.592 1.00 34.01 C ATOM 1106 NE2 HIS A 74 17.844 -41.574 2.590 1.00 72.32 N ATOM 0 H HIS A 74 12.612 -40.344 4.758 1.00 1.42 H new ATOM 0 HA HIS A 74 13.802 -40.546 2.118 1.00 41.33 H new ATOM 0 HB2 HIS A 74 14.431 -41.383 4.734 1.00 52.24 H new ATOM 0 HB3 HIS A 74 14.047 -42.865 3.881 1.00 52.24 H new ATOM 0 HD2 HIS A 74 17.066 -40.798 4.489 1.00 61.25 H new ATOM 0 HE1 HIS A 74 17.761 -42.560 0.692 1.00 34.01 H new ATOM 0 HE2 HIS A 74 18.828 -41.311 2.637 1.00 72.32 H new ATOM 1114 N ALA A 75 12.689 -42.624 1.154 1.00 33.23 N ATOM 1115 CA ALA A 75 11.841 -43.590 0.467 1.00 71.14 C ATOM 1116 C ALA A 75 12.310 -45.017 0.729 1.00 63.13 C ATOM 1117 O ALA A 75 13.480 -45.268 1.021 1.00 53.11 O ATOM 1118 CB ALA A 75 11.821 -43.305 -1.028 1.00 22.11 C ATOM 0 H ALA A 75 13.562 -42.410 0.671 1.00 33.23 H new ATOM 0 HA ALA A 75 10.829 -43.491 0.859 1.00 71.14 H new ATOM 0 HB1 ALA A 75 11.184 -44.034 -1.529 1.00 22.11 H new ATOM 0 HB2 ALA A 75 11.431 -42.302 -1.202 1.00 22.11 H new ATOM 0 HB3 ALA A 75 12.834 -43.375 -1.425 1.00 22.11 H new ATOM 1124 N PRO A 76 11.378 -45.976 0.623 1.00 25.23 N ATOM 1125 CA PRO A 76 11.674 -47.395 0.845 1.00 12.34 C ATOM 1126 C PRO A 76 12.546 -47.985 -0.257 1.00 44.22 C ATOM 1127 O PRO A 76 13.009 -47.269 -1.145 1.00 44.13 O ATOM 1128 CB PRO A 76 10.290 -48.050 0.841 1.00 45.01 C ATOM 1129 CG PRO A 76 9.441 -47.136 0.026 1.00 22.44 C ATOM 1130 CD PRO A 76 9.965 -45.750 0.279 1.00 51.45 C ATOM 0 HA PRO A 76 12.234 -47.555 1.766 1.00 12.34 H new ATOM 0 HB2 PRO A 76 10.326 -49.049 0.407 1.00 45.01 H new ATOM 0 HB3 PRO A 76 9.899 -48.156 1.853 1.00 45.01 H new ATOM 0 HG2 PRO A 76 9.500 -47.389 -1.033 1.00 22.44 H new ATOM 0 HG3 PRO A 76 8.393 -47.216 0.315 1.00 22.44 H new ATOM 0 HD2 PRO A 76 9.862 -45.115 -0.601 1.00 51.45 H new ATOM 0 HD3 PRO A 76 9.428 -45.259 1.090 1.00 51.45 H new ATOM 1138 N ASP A 77 12.766 -49.293 -0.194 1.00 63.35 N ATOM 1139 CA ASP A 77 13.582 -49.980 -1.189 1.00 44.00 C ATOM 1140 C ASP A 77 12.792 -50.216 -2.472 1.00 55.30 C ATOM 1141 O ASP A 77 13.324 -50.728 -3.456 1.00 3.10 O ATOM 1142 CB ASP A 77 14.087 -51.313 -0.634 1.00 13.11 C ATOM 1143 CG ASP A 77 15.597 -51.355 -0.512 1.00 3.10 C ATOM 1144 OD1 ASP A 77 16.099 -51.988 0.441 1.00 74.54 O ATOM 1145 OD2 ASP A 77 16.278 -50.755 -1.370 1.00 22.05 O ATOM 0 H ASP A 77 12.391 -49.899 0.535 1.00 63.35 H new ATOM 0 HA ASP A 77 14.437 -49.345 -1.422 1.00 44.00 H new ATOM 0 HB2 ASP A 77 13.641 -51.488 0.345 1.00 13.11 H new ATOM 0 HB3 ASP A 77 13.755 -52.123 -1.284 1.00 13.11 H new ATOM 1150 N ALA A 78 11.517 -49.839 -2.453 1.00 61.31 N ATOM 1151 CA ALA A 78 10.653 -50.009 -3.615 1.00 1.23 C ATOM 1152 C ALA A 78 10.307 -48.663 -4.243 1.00 11.05 C ATOM 1153 O ALA A 78 9.977 -48.585 -5.425 1.00 63.12 O ATOM 1154 CB ALA A 78 9.385 -50.753 -3.225 1.00 72.50 C ATOM 0 H ALA A 78 11.060 -49.414 -1.646 1.00 61.31 H new ATOM 0 HA ALA A 78 11.193 -50.598 -4.356 1.00 1.23 H new ATOM 0 HB1 ALA A 78 8.749 -50.873 -4.102 1.00 72.50 H new ATOM 0 HB2 ALA A 78 9.646 -51.734 -2.829 1.00 72.50 H new ATOM 0 HB3 ALA A 78 8.850 -50.186 -2.464 1.00 72.50 H new ATOM 1160 N GLY A 79 10.383 -47.604 -3.442 1.00 24.23 N ATOM 1161 CA GLY A 79 10.074 -46.276 -3.937 1.00 42.40 C ATOM 1162 C GLY A 79 8.813 -45.705 -3.319 1.00 60.41 C ATOM 1163 O GLY A 79 8.141 -46.375 -2.534 1.00 42.22 O ATOM 0 H GLY A 79 10.653 -47.643 -2.459 1.00 24.23 H new ATOM 0 HA2 GLY A 79 10.911 -45.610 -3.728 1.00 42.40 H new ATOM 0 HA3 GLY A 79 9.959 -46.313 -5.020 1.00 42.40 H new ATOM 1167 N TRP A 80 8.492 -44.466 -3.672 1.00 33.13 N ATOM 1168 CA TRP A 80 7.303 -43.805 -3.144 1.00 60.55 C ATOM 1169 C TRP A 80 6.036 -44.526 -3.592 1.00 41.24 C ATOM 1170 O TRP A 80 5.246 -44.983 -2.768 1.00 22.05 O ATOM 1171 CB TRP A 80 7.262 -42.345 -3.599 1.00 21.54 C ATOM 1172 CG TRP A 80 8.332 -41.500 -2.976 1.00 54.34 C ATOM 1173 CD1 TRP A 80 9.334 -40.837 -3.626 1.00 20.34 C ATOM 1174 CD2 TRP A 80 8.506 -41.228 -1.582 1.00 12.54 C ATOM 1175 NE1 TRP A 80 10.121 -40.170 -2.718 1.00 50.33 N ATOM 1176 CE2 TRP A 80 9.633 -40.392 -1.458 1.00 24.43 C ATOM 1177 CE3 TRP A 80 7.818 -41.606 -0.426 1.00 30.14 C ATOM 1178 CZ2 TRP A 80 10.087 -39.932 -0.224 1.00 72.53 C ATOM 1179 CZ3 TRP A 80 8.269 -41.149 0.798 1.00 65.11 C ATOM 1180 CH2 TRP A 80 9.394 -40.319 0.891 1.00 4.10 C ATOM 0 H TRP A 80 9.037 -43.899 -4.321 1.00 33.13 H new ATOM 0 HA TRP A 80 7.352 -43.838 -2.056 1.00 60.55 H new ATOM 0 HB2 TRP A 80 7.364 -42.307 -4.684 1.00 21.54 H new ATOM 0 HB3 TRP A 80 6.287 -41.923 -3.355 1.00 21.54 H new ATOM 0 HD1 TRP A 80 9.485 -40.837 -4.695 1.00 20.34 H new ATOM 0 HE1 TRP A 80 10.937 -39.602 -2.946 1.00 50.33 H new ATOM 0 HE3 TRP A 80 6.949 -42.244 -0.488 1.00 30.14 H new ATOM 0 HZ2 TRP A 80 10.955 -39.293 -0.150 1.00 72.53 H new ATOM 0 HZ3 TRP A 80 7.745 -41.437 1.698 1.00 65.11 H new ATOM 0 HH2 TRP A 80 9.721 -39.978 1.862 1.00 4.10 H new ATOM 1191 N GLY A 81 5.848 -44.623 -4.905 1.00 63.51 N ATOM 1192 CA GLY A 81 4.675 -45.290 -5.439 1.00 50.11 C ATOM 1193 C GLY A 81 3.479 -44.364 -5.541 1.00 33.51 C ATOM 1194 O GLY A 81 3.622 -43.145 -5.470 1.00 54.32 O ATOM 0 H GLY A 81 6.487 -44.252 -5.608 1.00 63.51 H new ATOM 0 HA2 GLY A 81 4.906 -45.690 -6.426 1.00 50.11 H new ATOM 0 HA3 GLY A 81 4.421 -46.138 -4.803 1.00 50.11 H new ATOM 1198 N ASN A 82 2.295 -44.946 -5.709 1.00 44.22 N ATOM 1199 CA ASN A 82 1.069 -44.164 -5.823 1.00 63.55 C ATOM 1200 C ASN A 82 0.017 -44.656 -4.834 1.00 72.25 C ATOM 1201 O ASN A 82 -1.181 -44.629 -5.121 1.00 21.11 O ATOM 1202 CB ASN A 82 0.521 -44.243 -7.250 1.00 1.32 C ATOM 1203 CG ASN A 82 1.537 -43.798 -8.285 1.00 34.43 C ATOM 1204 OD1 ASN A 82 1.452 -42.692 -8.819 1.00 32.51 O ATOM 1205 ND2 ASN A 82 2.504 -44.661 -8.573 1.00 30.44 N ATOM 0 H ASN A 82 2.159 -45.955 -5.769 1.00 44.22 H new ATOM 0 HA ASN A 82 1.305 -43.126 -5.588 1.00 63.55 H new ATOM 0 HB2 ASN A 82 0.215 -45.267 -7.462 1.00 1.32 H new ATOM 0 HB3 ASN A 82 -0.370 -43.621 -7.329 1.00 1.32 H new ATOM 0 HD21 ASN A 82 3.216 -44.418 -9.262 1.00 30.44 H new ATOM 0 HD22 ASN A 82 2.535 -45.567 -8.105 1.00 30.44 H new ATOM 1212 N LEU A 83 0.471 -45.105 -3.670 1.00 4.44 N ATOM 1213 CA LEU A 83 -0.431 -45.602 -2.637 1.00 24.14 C ATOM 1214 C LEU A 83 -0.859 -44.477 -1.700 1.00 24.24 C ATOM 1215 O LEU A 83 -0.516 -43.314 -1.912 1.00 3.03 O ATOM 1216 CB LEU A 83 0.244 -46.718 -1.837 1.00 61.21 C ATOM 1217 CG LEU A 83 1.695 -46.466 -1.425 1.00 70.25 C ATOM 1218 CD1 LEU A 83 2.640 -46.801 -2.569 1.00 21.32 C ATOM 1219 CD2 LEU A 83 1.881 -45.022 -0.983 1.00 72.12 C ATOM 0 H LEU A 83 1.459 -45.135 -3.417 1.00 4.44 H new ATOM 0 HA LEU A 83 -1.320 -46.000 -3.126 1.00 24.14 H new ATOM 0 HB2 LEU A 83 -0.342 -46.897 -0.936 1.00 61.21 H new ATOM 0 HB3 LEU A 83 0.209 -47.633 -2.428 1.00 61.21 H new ATOM 0 HG LEU A 83 1.932 -47.116 -0.583 1.00 70.25 H new ATOM 0 HD11 LEU A 83 3.668 -46.616 -2.258 1.00 21.32 H new ATOM 0 HD12 LEU A 83 2.526 -47.851 -2.839 1.00 21.32 H new ATOM 0 HD13 LEU A 83 2.404 -46.177 -3.431 1.00 21.32 H new ATOM 0 HD21 LEU A 83 2.919 -44.861 -0.693 1.00 72.12 H new ATOM 0 HD22 LEU A 83 1.626 -44.354 -1.806 1.00 72.12 H new ATOM 0 HD23 LEU A 83 1.231 -44.815 -0.133 1.00 72.12 H new ATOM 1231 N VAL A 84 -1.609 -44.832 -0.661 1.00 64.10 N ATOM 1232 CA VAL A 84 -2.081 -43.853 0.311 1.00 62.31 C ATOM 1233 C VAL A 84 -1.140 -43.769 1.508 1.00 71.13 C ATOM 1234 O VAL A 84 -0.360 -44.687 1.763 1.00 44.42 O ATOM 1235 CB VAL A 84 -3.498 -44.195 0.809 1.00 63.23 C ATOM 1236 CG1 VAL A 84 -4.118 -43.000 1.516 1.00 54.14 C ATOM 1237 CG2 VAL A 84 -4.372 -44.654 -0.348 1.00 52.14 C ATOM 0 H VAL A 84 -1.903 -45.790 -0.471 1.00 64.10 H new ATOM 0 HA VAL A 84 -2.105 -42.889 -0.197 1.00 62.31 H new ATOM 0 HB VAL A 84 -3.426 -45.013 1.526 1.00 63.23 H new ATOM 0 HG11 VAL A 84 -5.119 -43.260 1.861 1.00 54.14 H new ATOM 0 HG12 VAL A 84 -3.501 -42.722 2.370 1.00 54.14 H new ATOM 0 HG13 VAL A 84 -4.180 -42.160 0.824 1.00 54.14 H new ATOM 0 HG21 VAL A 84 -5.370 -44.892 0.022 1.00 52.14 H new ATOM 0 HG22 VAL A 84 -4.440 -43.859 -1.090 1.00 52.14 H new ATOM 0 HG23 VAL A 84 -3.934 -45.541 -0.805 1.00 52.14 H new ATOM 1247 N TYR A 85 -1.220 -42.663 2.239 1.00 62.20 N ATOM 1248 CA TYR A 85 -0.374 -42.458 3.409 1.00 40.33 C ATOM 1249 C TYR A 85 -1.187 -41.919 4.581 1.00 15.44 C ATOM 1250 O TYR A 85 -2.154 -41.179 4.394 1.00 4.12 O ATOM 1251 CB TYR A 85 0.765 -41.492 3.077 1.00 22.32 C ATOM 1252 CG TYR A 85 0.518 -40.078 3.552 1.00 72.14 C ATOM 1253 CD1 TYR A 85 0.776 -39.710 4.866 1.00 24.44 C ATOM 1254 CD2 TYR A 85 0.025 -39.110 2.686 1.00 74.03 C ATOM 1255 CE1 TYR A 85 0.551 -38.420 5.305 1.00 43.34 C ATOM 1256 CE2 TYR A 85 -0.202 -37.817 3.115 1.00 51.33 C ATOM 1257 CZ TYR A 85 0.063 -37.476 4.425 1.00 75.50 C ATOM 1258 OH TYR A 85 -0.163 -36.189 4.857 1.00 74.54 O ATOM 0 H TYR A 85 -1.862 -41.895 2.042 1.00 62.20 H new ATOM 0 HA TYR A 85 0.047 -43.422 3.695 1.00 40.33 H new ATOM 0 HB2 TYR A 85 1.686 -41.862 3.527 1.00 22.32 H new ATOM 0 HB3 TYR A 85 0.919 -41.482 1.998 1.00 22.32 H new ATOM 0 HD1 TYR A 85 1.160 -40.446 5.557 1.00 24.44 H new ATOM 0 HD2 TYR A 85 -0.184 -39.373 1.660 1.00 74.03 H new ATOM 0 HE1 TYR A 85 0.756 -38.152 6.331 1.00 43.34 H new ATOM 0 HE2 TYR A 85 -0.585 -37.077 2.428 1.00 51.33 H new ATOM 0 HH TYR A 85 -0.306 -35.605 4.083 1.00 74.54 H new ATOM 1268 N VAL A 86 -0.789 -42.295 5.792 1.00 4.44 N ATOM 1269 CA VAL A 86 -1.478 -41.849 6.997 1.00 11.42 C ATOM 1270 C VAL A 86 -0.637 -40.838 7.769 1.00 33.03 C ATOM 1271 O VAL A 86 0.564 -41.028 7.957 1.00 24.41 O ATOM 1272 CB VAL A 86 -1.815 -43.033 7.922 1.00 21.12 C ATOM 1273 CG1 VAL A 86 -2.496 -42.543 9.191 1.00 23.21 C ATOM 1274 CG2 VAL A 86 -2.688 -44.045 7.195 1.00 11.34 C ATOM 0 H VAL A 86 0.008 -42.908 5.965 1.00 4.44 H new ATOM 0 HA VAL A 86 -2.405 -41.375 6.674 1.00 11.42 H new ATOM 0 HB VAL A 86 -0.885 -43.526 8.205 1.00 21.12 H new ATOM 0 HG11 VAL A 86 -2.726 -43.394 9.832 1.00 23.21 H new ATOM 0 HG12 VAL A 86 -1.832 -41.860 9.720 1.00 23.21 H new ATOM 0 HG13 VAL A 86 -3.419 -42.024 8.932 1.00 23.21 H new ATOM 0 HG21 VAL A 86 -2.917 -44.875 7.863 1.00 11.34 H new ATOM 0 HG22 VAL A 86 -3.615 -43.566 6.881 1.00 11.34 H new ATOM 0 HG23 VAL A 86 -2.158 -44.420 6.319 1.00 11.34 H new ATOM 1284 N VAL A 87 -1.277 -39.762 8.216 1.00 55.02 N ATOM 1285 CA VAL A 87 -0.589 -38.721 8.970 1.00 52.14 C ATOM 1286 C VAL A 87 -0.417 -39.123 10.430 1.00 11.32 C ATOM 1287 O VAL A 87 -1.262 -39.814 10.998 1.00 44.01 O ATOM 1288 CB VAL A 87 -1.350 -37.383 8.903 1.00 72.42 C ATOM 1289 CG1 VAL A 87 -0.423 -36.224 9.233 1.00 65.01 C ATOM 1290 CG2 VAL A 87 -1.981 -37.198 7.531 1.00 35.12 C ATOM 0 H VAL A 87 -2.271 -39.589 8.069 1.00 55.02 H new ATOM 0 HA VAL A 87 0.392 -38.595 8.513 1.00 52.14 H new ATOM 0 HB VAL A 87 -2.148 -37.401 9.646 1.00 72.42 H new ATOM 0 HG11 VAL A 87 -0.978 -35.288 9.181 1.00 65.01 H new ATOM 0 HG12 VAL A 87 -0.023 -36.353 10.239 1.00 65.01 H new ATOM 0 HG13 VAL A 87 0.398 -36.199 8.517 1.00 65.01 H new ATOM 0 HG21 VAL A 87 -2.515 -36.248 7.501 1.00 35.12 H new ATOM 0 HG22 VAL A 87 -1.202 -37.201 6.769 1.00 35.12 H new ATOM 0 HG23 VAL A 87 -2.679 -38.013 7.339 1.00 35.12 H new ATOM 1300 N ASN A 88 0.683 -38.684 11.033 1.00 0.22 N ATOM 1301 CA ASN A 88 0.967 -38.998 12.429 1.00 54.21 C ATOM 1302 C ASN A 88 1.693 -37.842 13.110 1.00 54.41 C ATOM 1303 O ASN A 88 2.817 -37.499 12.744 1.00 63.40 O ATOM 1304 CB ASN A 88 1.809 -40.271 12.526 1.00 71.42 C ATOM 1305 CG ASN A 88 1.927 -40.779 13.950 1.00 62.42 C ATOM 1306 OD1 ASN A 88 0.935 -41.167 14.567 1.00 51.02 O ATOM 1307 ND2 ASN A 88 3.145 -40.779 14.479 1.00 64.25 N ATOM 0 H ASN A 88 1.392 -38.110 10.577 1.00 0.22 H new ATOM 0 HA ASN A 88 0.017 -39.159 12.939 1.00 54.21 H new ATOM 0 HB2 ASN A 88 1.364 -41.046 11.902 1.00 71.42 H new ATOM 0 HB3 ASN A 88 2.805 -40.076 12.129 1.00 71.42 H new ATOM 0 HD21 ASN A 88 3.286 -41.110 15.433 1.00 64.25 H new ATOM 0 HD22 ASN A 88 3.939 -40.448 13.931 1.00 64.25 H new