USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 590 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 104 SER OG : rot 170:sc= -2.41! USER MOD Set 1.2: A 106 ASN : amide:sc= -0.2 K(o=-2.6,f=-3.4) USER MOD Set 2.1: A 52 SER OG : rot -94:sc= 0.399 USER MOD Set 2.2: A 54 ASN : amide:sc= -2.55! C(o=-0.96!,f=-1.3!) USER MOD Set 2.3: A 93 SER OG : rot -53:sc= 0.649 USER MOD Set 2.4: A 98 SER OG : rot 39:sc= 0.542 USER MOD Set 3.1: A 51 GLN : amide:sc= -0.659 X(o=0.52,f=0.13) USER MOD Set 3.2: A 94 SER OG : rot 136:sc= 1.18 USER MOD Single : A 31 SER OG : rot 40:sc= 1.06 USER MOD Single : A 35 HIS : no HD1:sc= -0.0636 X(o=-0.064,f=-0.0024) USER MOD Single : A 41 GLN :FLIP amide:sc= -5.64! C(o=-6.3!,f=-5.6!) USER MOD Single : A 61 GLN : amide:sc= -0.524 X(o=-0.52,f=-0.52) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -59:sc= 0.71 USER MOD Single : A 80 SER OG : rot -45:sc= -2.18! USER MOD Single : A 85 SER OG : rot 89:sc= 0.963 USER MOD Single : A 88 TYR OH : rot -30:sc= 0.161 USER MOD Single : A 92 THR OG1 : rot 6:sc= -1.03! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 101 THR OG1 : rot 125:sc= 0.443! USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -52:sc= 0.638 USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 28 -12.919 2.655 3.931 1.00 0.00 N ATOM 213 CA GLU A 28 -11.478 2.403 3.707 1.00 0.00 C ATOM 214 C GLU A 28 -11.146 2.971 2.329 1.00 0.00 C ATOM 215 O GLU A 28 -11.073 4.168 2.129 1.00 0.00 O ATOM 216 CB GLU A 28 -11.269 0.877 3.738 1.00 0.00 C ATOM 217 CG GLU A 28 -11.377 0.379 5.183 1.00 0.00 C ATOM 218 CD GLU A 28 -10.791 -1.034 5.261 1.00 0.00 C ATOM 219 OE1 GLU A 28 -9.615 -1.145 4.957 1.00 0.00 O ATOM 220 OE2 GLU A 28 -11.553 -1.917 5.620 1.00 0.00 O ATOM 0 HA GLU A 28 -10.839 2.865 4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.015 0.384 3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.292 0.624 3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.839 1.049 5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.419 0.374 5.504 1.00 0.00 H new ATOM 227 N VAL A 29 -10.934 2.058 1.429 1.00 0.00 N ATOM 228 CA VAL A 29 -10.645 2.413 0.006 1.00 0.00 C ATOM 229 C VAL A 29 -10.877 1.215 -0.896 1.00 0.00 C ATOM 230 O VAL A 29 -11.842 1.137 -1.629 1.00 0.00 O ATOM 231 CB VAL A 29 -9.208 2.894 -0.233 1.00 0.00 C ATOM 232 CG1 VAL A 29 -8.971 2.863 -1.747 1.00 0.00 C ATOM 233 CG2 VAL A 29 -9.078 4.349 0.185 1.00 0.00 C ATOM 0 H VAL A 29 -10.948 1.056 1.619 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.324 3.233 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.510 2.269 0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.957 3.199 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.103 1.846 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.685 3.523 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.056 4.687 0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.765 4.959 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.320 4.447 1.243 1.00 0.00 H new ATOM 243 N GLU A 30 -9.946 0.306 -0.796 1.00 0.00 N ATOM 244 CA GLU A 30 -10.022 -0.909 -1.649 1.00 0.00 C ATOM 245 C GLU A 30 -9.693 -2.185 -0.880 1.00 0.00 C ATOM 246 O GLU A 30 -8.609 -2.359 -0.359 1.00 0.00 O ATOM 247 CB GLU A 30 -9.025 -0.749 -2.799 1.00 0.00 C ATOM 248 CG GLU A 30 -9.117 -1.977 -3.716 1.00 0.00 C ATOM 249 CD GLU A 30 -8.031 -1.903 -4.798 1.00 0.00 C ATOM 250 OE1 GLU A 30 -7.318 -0.912 -4.801 1.00 0.00 O ATOM 251 OE2 GLU A 30 -7.979 -2.851 -5.564 1.00 0.00 O ATOM 0 H GLU A 30 -9.145 0.352 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.045 -1.004 -2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.243 0.158 -3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.013 -0.646 -2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.998 -2.889 -3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.102 -2.022 -4.180 1.00 0.00 H new ATOM 258 N SER A 31 -10.673 -3.041 -0.817 1.00 0.00 N ATOM 259 CA SER A 31 -10.468 -4.352 -0.138 1.00 0.00 C ATOM 260 C SER A 31 -10.296 -5.412 -1.227 1.00 0.00 C ATOM 261 O SER A 31 -11.252 -5.837 -1.846 1.00 0.00 O ATOM 262 CB SER A 31 -11.689 -4.678 0.725 1.00 0.00 C ATOM 263 OG SER A 31 -12.792 -4.530 -0.159 1.00 0.00 O ATOM 0 H SER A 31 -11.605 -2.892 -1.205 1.00 0.00 H new ATOM 0 HA SER A 31 -9.589 -4.324 0.506 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.634 -5.690 1.127 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.767 -4.001 1.576 1.00 0.00 H new ATOM 0 HG SER A 31 -12.556 -4.889 -1.040 1.00 0.00 H new ATOM 269 N LEU A 32 -9.071 -5.813 -1.436 1.00 0.00 N ATOM 270 CA LEU A 32 -8.814 -6.822 -2.508 1.00 0.00 C ATOM 271 C LEU A 32 -8.018 -8.052 -2.047 1.00 0.00 C ATOM 272 O LEU A 32 -7.206 -8.000 -1.142 1.00 0.00 O ATOM 273 CB LEU A 32 -8.050 -6.120 -3.638 1.00 0.00 C ATOM 274 CG LEU A 32 -7.859 -7.088 -4.817 1.00 0.00 C ATOM 275 CD1 LEU A 32 -9.230 -7.490 -5.373 1.00 0.00 C ATOM 276 CD2 LEU A 32 -7.079 -6.368 -5.921 1.00 0.00 C ATOM 0 H LEU A 32 -8.250 -5.494 -0.922 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.783 -7.203 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.598 -5.237 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.081 -5.778 -3.276 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.320 -7.974 -4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.097 -8.176 -6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.811 -7.979 -4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.759 -6.600 -5.715 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.936 -7.043 -6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.638 -5.491 -6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.108 -6.057 -5.536 1.00 0.00 H new ATOM 288 N LEU A 33 -8.284 -9.147 -2.710 1.00 0.00 N ATOM 289 CA LEU A 33 -7.568 -10.412 -2.388 1.00 0.00 C ATOM 290 C LEU A 33 -6.574 -10.720 -3.512 1.00 0.00 C ATOM 291 O LEU A 33 -6.862 -10.527 -4.678 1.00 0.00 O ATOM 292 CB LEU A 33 -8.587 -11.557 -2.271 1.00 0.00 C ATOM 293 CG LEU A 33 -9.374 -11.696 -3.586 1.00 0.00 C ATOM 294 CD1 LEU A 33 -9.688 -13.178 -3.812 1.00 0.00 C ATOM 295 CD2 LEU A 33 -10.700 -10.940 -3.462 1.00 0.00 C ATOM 0 H LEU A 33 -8.969 -9.218 -3.463 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.033 -10.308 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.073 -12.491 -2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.272 -11.362 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.788 -11.294 -4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.246 -13.294 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.757 -13.742 -3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.284 -13.554 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.262 -11.035 -4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.282 -11.359 -2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.501 -9.887 -3.265 1.00 0.00 H new ATOM 307 N VAL A 34 -5.414 -11.175 -3.129 1.00 0.00 N ATOM 308 CA VAL A 34 -4.379 -11.499 -4.155 1.00 0.00 C ATOM 309 C VAL A 34 -3.788 -12.892 -3.927 1.00 0.00 C ATOM 310 O VAL A 34 -3.903 -13.454 -2.858 1.00 0.00 O ATOM 311 CB VAL A 34 -3.267 -10.442 -4.086 1.00 0.00 C ATOM 312 CG1 VAL A 34 -3.100 -9.845 -5.486 1.00 0.00 C ATOM 313 CG2 VAL A 34 -3.672 -9.322 -3.121 1.00 0.00 C ATOM 0 H VAL A 34 -5.138 -11.336 -2.160 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.845 -11.493 -5.140 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.340 -10.898 -3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.315 -9.089 -5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.828 -10.634 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.038 -9.387 -5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.879 -8.576 -3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.592 -8.854 -3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.834 -9.739 -2.127 1.00 0.00 H new ATOM 323 N HIS A 35 -3.135 -13.415 -4.929 1.00 0.00 N ATOM 324 CA HIS A 35 -2.557 -14.783 -4.780 1.00 0.00 C ATOM 325 C HIS A 35 -1.038 -14.758 -4.573 1.00 0.00 C ATOM 326 O HIS A 35 -0.369 -13.803 -4.915 1.00 0.00 O ATOM 327 CB HIS A 35 -2.886 -15.569 -6.049 1.00 0.00 C ATOM 328 CG HIS A 35 -4.373 -15.931 -6.043 1.00 0.00 C ATOM 329 ND1 HIS A 35 -4.999 -16.505 -7.018 1.00 0.00 N ATOM 330 CD2 HIS A 35 -5.343 -15.754 -5.071 1.00 0.00 C ATOM 331 CE1 HIS A 35 -6.243 -16.675 -6.697 1.00 0.00 C ATOM 332 NE2 HIS A 35 -6.501 -16.222 -5.494 1.00 0.00 N ATOM 0 H HIS A 35 -2.978 -12.964 -5.830 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.989 -15.249 -3.895 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.647 -14.975 -6.931 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.279 -16.473 -6.099 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.175 -15.299 -4.106 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.978 -17.134 -7.342 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -7.393 -16.230 -4.999 1.00 0.00 H new ATOM 340 N PRO A 36 -0.544 -15.831 -4.010 1.00 0.00 N ATOM 341 CA PRO A 36 0.909 -16.038 -3.815 1.00 0.00 C ATOM 342 C PRO A 36 1.684 -15.849 -5.121 1.00 0.00 C ATOM 343 O PRO A 36 1.787 -16.748 -5.931 1.00 0.00 O ATOM 344 CB PRO A 36 1.041 -17.474 -3.290 1.00 0.00 C ATOM 345 CG PRO A 36 -0.395 -17.974 -2.955 1.00 0.00 C ATOM 346 CD PRO A 36 -1.392 -16.945 -3.521 1.00 0.00 C ATOM 0 HA PRO A 36 1.329 -15.311 -3.120 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.508 -18.116 -4.037 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.675 -17.503 -2.404 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.570 -18.957 -3.393 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.522 -18.078 -1.877 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.988 -17.373 -4.327 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.089 -16.606 -2.755 1.00 0.00 H new ATOM 354 N GLY A 37 2.205 -14.664 -5.288 1.00 0.00 N ATOM 355 CA GLY A 37 2.981 -14.357 -6.523 1.00 0.00 C ATOM 356 C GLY A 37 2.124 -13.567 -7.517 1.00 0.00 C ATOM 357 O GLY A 37 1.985 -13.952 -8.660 1.00 0.00 O ATOM 0 H GLY A 37 2.127 -13.895 -4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.871 -13.783 -6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.321 -15.284 -6.985 1.00 0.00 H new ATOM 361 N ASP A 38 1.567 -12.477 -7.058 1.00 0.00 N ATOM 362 CA ASP A 38 0.711 -11.658 -7.968 1.00 0.00 C ATOM 363 C ASP A 38 1.058 -10.161 -7.916 1.00 0.00 C ATOM 364 O ASP A 38 1.904 -9.722 -7.159 1.00 0.00 O ATOM 365 CB ASP A 38 -0.752 -11.855 -7.558 1.00 0.00 C ATOM 366 CG ASP A 38 -1.661 -11.374 -8.693 1.00 0.00 C ATOM 367 OD1 ASP A 38 -1.657 -12.050 -9.709 1.00 0.00 O ATOM 368 OD2 ASP A 38 -2.301 -10.357 -8.481 1.00 0.00 O ATOM 0 H ASP A 38 1.665 -12.122 -6.107 1.00 0.00 H new ATOM 0 HA ASP A 38 0.886 -11.991 -8.991 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.944 -12.906 -7.343 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.965 -11.299 -6.645 1.00 0.00 H new ATOM 373 N LEU A 39 0.365 -9.417 -8.738 1.00 0.00 N ATOM 374 CA LEU A 39 0.595 -7.946 -8.803 1.00 0.00 C ATOM 375 C LEU A 39 -0.640 -7.196 -8.296 1.00 0.00 C ATOM 376 O LEU A 39 -1.685 -7.205 -8.917 1.00 0.00 O ATOM 377 CB LEU A 39 0.875 -7.565 -10.264 1.00 0.00 C ATOM 378 CG LEU A 39 1.521 -6.171 -10.324 1.00 0.00 C ATOM 379 CD1 LEU A 39 2.166 -5.989 -11.703 1.00 0.00 C ATOM 380 CD2 LEU A 39 0.440 -5.099 -10.156 1.00 0.00 C ATOM 0 H LEU A 39 -0.354 -9.769 -9.370 1.00 0.00 H new ATOM 0 HA LEU A 39 1.443 -7.675 -8.175 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.535 -8.302 -10.721 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.053 -7.571 -10.835 1.00 0.00 H new ATOM 0 HG LEU A 39 2.265 -6.078 -9.532 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.629 -5.004 -11.761 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.925 -6.756 -11.854 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.403 -6.077 -12.476 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.898 -4.111 -10.198 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.294 -5.194 -10.956 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.054 -5.229 -9.193 1.00 0.00 H new ATOM 392 N LEU A 40 -0.474 -6.568 -7.166 1.00 0.00 N ATOM 393 CA LEU A 40 -1.603 -5.790 -6.564 1.00 0.00 C ATOM 394 C LEU A 40 -1.246 -4.298 -6.459 1.00 0.00 C ATOM 395 O LEU A 40 -0.172 -3.949 -6.015 1.00 0.00 O ATOM 396 CB LEU A 40 -1.875 -6.357 -5.163 1.00 0.00 C ATOM 397 CG LEU A 40 -2.266 -5.217 -4.225 1.00 0.00 C ATOM 398 CD1 LEU A 40 -3.658 -4.698 -4.600 1.00 0.00 C ATOM 399 CD2 LEU A 40 -2.331 -5.785 -2.826 1.00 0.00 C ATOM 0 H LEU A 40 0.394 -6.557 -6.630 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.487 -5.879 -7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.673 -7.098 -5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.988 -6.866 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.544 -4.403 -4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.936 -3.885 -3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.646 -4.334 -5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.384 -5.506 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.608 -4.997 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.075 -6.581 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.356 -6.188 -2.551 1.00 0.00 H new ATOM 411 N GLN A 41 -2.154 -3.438 -6.836 1.00 0.00 N ATOM 412 CA GLN A 41 -1.843 -1.978 -6.751 1.00 0.00 C ATOM 413 C GLN A 41 -2.859 -1.198 -5.899 1.00 0.00 C ATOM 414 O GLN A 41 -4.055 -1.355 -6.048 1.00 0.00 O ATOM 415 CB GLN A 41 -1.835 -1.388 -8.170 1.00 0.00 C ATOM 416 CG GLN A 41 -1.392 -2.459 -9.177 1.00 0.00 C ATOM 417 CD GLN A 41 -2.576 -3.366 -9.540 1.00 0.00 C ATOM 418 OE1 GLN A 41 -3.731 -3.184 -8.959 1.00 0.00 O flip ATOM 419 NE2 GLN A 41 -2.458 -4.254 -10.360 1.00 0.00 N flip ATOM 0 H GLN A 41 -3.080 -3.674 -7.192 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.870 -1.882 -6.270 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.829 -1.023 -8.427 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.160 -0.533 -8.214 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.000 -1.983 -10.076 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.584 -3.055 -8.753 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.561 -4.407 -10.821 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.256 -4.847 -10.588 1.00 0.00 H new ATOM 428 N LEU A 42 -2.340 -0.371 -5.027 1.00 0.00 N ATOM 429 CA LEU A 42 -3.212 0.471 -4.154 1.00 0.00 C ATOM 430 C LEU A 42 -2.895 1.929 -4.474 1.00 0.00 C ATOM 431 O LEU A 42 -1.779 2.358 -4.265 1.00 0.00 O ATOM 432 CB LEU A 42 -2.895 0.215 -2.664 1.00 0.00 C ATOM 433 CG LEU A 42 -1.598 -0.591 -2.506 1.00 0.00 C ATOM 434 CD1 LEU A 42 -1.086 -0.412 -1.069 1.00 0.00 C ATOM 435 CD2 LEU A 42 -1.897 -2.076 -2.725 1.00 0.00 C ATOM 0 H LEU A 42 -1.339 -0.242 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.261 0.233 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.802 1.166 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.721 -0.325 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.858 -0.247 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.164 -0.978 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.893 0.644 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.837 -0.775 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.979 -2.652 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.628 -2.412 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.298 -2.222 -3.728 1.00 0.00 H new ATOM 447 N ARG A 43 -3.868 2.646 -4.967 1.00 0.00 N ATOM 448 CA ARG A 43 -3.633 4.076 -5.328 1.00 0.00 C ATOM 449 C ARG A 43 -4.246 5.024 -4.309 1.00 0.00 C ATOM 450 O ARG A 43 -5.449 5.133 -4.171 1.00 0.00 O ATOM 451 CB ARG A 43 -4.268 4.333 -6.698 1.00 0.00 C ATOM 452 CG ARG A 43 -4.094 5.812 -7.081 1.00 0.00 C ATOM 453 CD ARG A 43 -2.810 5.970 -7.901 1.00 0.00 C ATOM 454 NE ARG A 43 -2.888 5.042 -9.065 1.00 0.00 N ATOM 455 CZ ARG A 43 -2.572 5.465 -10.259 1.00 0.00 C ATOM 456 NH1 ARG A 43 -3.136 6.546 -10.723 1.00 0.00 N ATOM 457 NH2 ARG A 43 -1.699 4.773 -10.936 1.00 0.00 N ATOM 0 H ARG A 43 -4.815 2.305 -5.136 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.559 4.259 -5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.803 3.696 -7.450 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.327 4.076 -6.673 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.953 6.155 -7.658 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.046 6.429 -6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.700 7.000 -8.242 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.937 5.741 -7.290 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.188 4.077 -8.929 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.816 7.051 -10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.897 6.886 -11.654 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.288 3.933 -10.529 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.427 5.072 -11.872 1.00 0.00 H new ATOM 471 N CYS A 44 -3.376 5.772 -3.691 1.00 0.00 N ATOM 472 CA CYS A 44 -3.836 6.742 -2.664 1.00 0.00 C ATOM 473 C CYS A 44 -4.381 7.993 -3.351 1.00 0.00 C ATOM 474 O CYS A 44 -4.857 7.934 -4.468 1.00 0.00 O ATOM 475 CB CYS A 44 -2.643 7.125 -1.792 1.00 0.00 C ATOM 476 SG CYS A 44 -3.010 7.926 -0.213 1.00 0.00 S ATOM 0 H CYS A 44 -2.369 5.753 -3.853 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.622 6.296 -2.054 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.067 6.222 -1.589 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.000 7.790 -2.369 1.00 0.00 H new ATOM 481 N ARG A 45 -4.310 9.096 -2.660 1.00 0.00 N ATOM 482 CA ARG A 45 -4.823 10.362 -3.254 1.00 0.00 C ATOM 483 C ARG A 45 -4.019 11.566 -2.764 1.00 0.00 C ATOM 484 O ARG A 45 -3.996 11.864 -1.586 1.00 0.00 O ATOM 485 CB ARG A 45 -6.292 10.512 -2.846 1.00 0.00 C ATOM 486 CG ARG A 45 -6.339 10.759 -1.336 1.00 0.00 C ATOM 487 CD ARG A 45 -7.744 10.480 -0.800 1.00 0.00 C ATOM 488 NE ARG A 45 -7.767 10.863 0.643 1.00 0.00 N ATOM 489 CZ ARG A 45 -6.669 11.292 1.205 1.00 0.00 C ATOM 490 NH1 ARG A 45 -6.451 12.574 1.307 1.00 0.00 N ATOM 491 NH2 ARG A 45 -5.787 10.434 1.633 1.00 0.00 N ATOM 0 H ARG A 45 -3.923 9.176 -1.720 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.726 10.323 -4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.754 11.341 -3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.853 9.613 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.616 10.118 -0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.057 11.789 -1.119 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.486 11.051 -1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.996 9.426 -0.920 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.629 10.790 1.183 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.137 13.238 0.948 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.594 12.912 1.745 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.956 9.434 1.528 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.927 10.763 2.073 1.00 0.00 H new ATOM 505 N LEU A 46 -3.350 12.228 -3.669 1.00 0.00 N ATOM 506 CA LEU A 46 -2.554 13.409 -3.236 1.00 0.00 C ATOM 507 C LEU A 46 -2.781 14.616 -4.154 1.00 0.00 C ATOM 508 O LEU A 46 -3.305 14.496 -5.246 1.00 0.00 O ATOM 509 CB LEU A 46 -1.061 13.021 -3.205 1.00 0.00 C ATOM 510 CG LEU A 46 -0.787 11.800 -4.102 1.00 0.00 C ATOM 511 CD1 LEU A 46 0.712 11.757 -4.416 1.00 0.00 C ATOM 512 CD2 LEU A 46 -1.146 10.516 -3.344 1.00 0.00 C ATOM 0 H LEU A 46 -3.320 12.009 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.881 13.704 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.456 13.864 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.761 12.799 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.379 11.876 -5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.926 10.898 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.002 12.672 -4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.276 11.671 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.952 9.652 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.540 10.445 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.201 10.537 -3.072 1.00 0.00 H new ATOM 524 N ARG A 47 -2.375 15.768 -3.690 1.00 0.00 N ATOM 525 CA ARG A 47 -2.579 16.987 -4.526 1.00 0.00 C ATOM 526 C ARG A 47 -1.598 18.100 -4.142 1.00 0.00 C ATOM 527 O ARG A 47 -0.401 17.889 -4.102 1.00 0.00 O ATOM 528 CB ARG A 47 -4.025 17.460 -4.327 1.00 0.00 C ATOM 529 CG ARG A 47 -4.413 18.370 -5.497 1.00 0.00 C ATOM 530 CD ARG A 47 -5.857 18.840 -5.301 1.00 0.00 C ATOM 531 NE ARG A 47 -6.757 17.660 -5.440 1.00 0.00 N ATOM 532 CZ ARG A 47 -7.555 17.340 -4.458 1.00 0.00 C ATOM 533 NH1 ARG A 47 -7.135 16.500 -3.552 1.00 0.00 N ATOM 534 NH2 ARG A 47 -8.745 17.872 -4.413 1.00 0.00 N ATOM 0 H ARG A 47 -1.921 15.917 -2.789 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.395 16.745 -5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.698 16.604 -4.275 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.120 17.997 -3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.741 19.227 -5.547 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.316 17.833 -6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.978 19.296 -4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.112 19.601 -6.039 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.749 17.106 -6.297 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.197 16.105 -3.618 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.745 16.238 -2.777 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.039 18.527 -5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.382 17.633 -3.653 1.00 0.00 H new ATOM 548 N ASP A 48 -2.127 19.262 -3.864 1.00 0.00 N ATOM 549 CA ASP A 48 -1.248 20.406 -3.489 1.00 0.00 C ATOM 550 C ASP A 48 -1.184 20.536 -1.966 1.00 0.00 C ATOM 551 O ASP A 48 -0.918 21.595 -1.433 1.00 0.00 O ATOM 552 CB ASP A 48 -1.833 21.684 -4.098 1.00 0.00 C ATOM 553 CG ASP A 48 -0.840 22.835 -3.912 1.00 0.00 C ATOM 554 OD1 ASP A 48 0.240 22.711 -4.465 1.00 0.00 O ATOM 555 OD2 ASP A 48 -1.221 23.771 -3.228 1.00 0.00 O ATOM 0 H ASP A 48 -3.126 19.467 -3.880 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.238 20.241 -3.865 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.039 21.534 -5.158 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.782 21.927 -3.620 1.00 0.00 H new ATOM 560 N ASP A 49 -1.431 19.440 -1.302 1.00 0.00 N ATOM 561 CA ASP A 49 -1.387 19.447 0.185 1.00 0.00 C ATOM 562 C ASP A 49 -0.417 18.358 0.638 1.00 0.00 C ATOM 563 O ASP A 49 0.697 18.640 1.031 1.00 0.00 O ATOM 564 CB ASP A 49 -2.790 19.154 0.724 1.00 0.00 C ATOM 565 CG ASP A 49 -2.732 19.084 2.254 1.00 0.00 C ATOM 566 OD1 ASP A 49 -2.418 20.112 2.830 1.00 0.00 O ATOM 567 OD2 ASP A 49 -3.002 18.005 2.755 1.00 0.00 O ATOM 0 H ASP A 49 -1.661 18.541 -1.726 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.056 20.416 0.559 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.485 19.933 0.409 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.160 18.213 0.318 1.00 0.00 H new ATOM 572 N VAL A 50 -0.861 17.133 0.550 1.00 0.00 N ATOM 573 CA VAL A 50 0.012 16.006 0.955 1.00 0.00 C ATOM 574 C VAL A 50 1.200 15.922 0.000 1.00 0.00 C ATOM 575 O VAL A 50 1.080 16.097 -1.196 1.00 0.00 O ATOM 576 CB VAL A 50 -0.824 14.731 0.916 1.00 0.00 C ATOM 577 CG1 VAL A 50 -1.998 14.917 1.886 1.00 0.00 C ATOM 578 CG2 VAL A 50 -1.380 14.539 -0.494 1.00 0.00 C ATOM 0 H VAL A 50 -1.788 16.869 0.216 1.00 0.00 H new ATOM 0 HA VAL A 50 0.403 16.148 1.962 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.220 13.867 1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.618 14.021 1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.615 15.090 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.596 15.773 1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.979 13.629 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.003 15.393 -0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.555 14.458 -1.202 1.00 0.00 H new ATOM 588 N GLN A 51 2.327 15.658 0.593 1.00 0.00 N ATOM 589 CA GLN A 51 3.593 15.560 -0.179 1.00 0.00 C ATOM 590 C GLN A 51 4.250 14.215 0.112 1.00 0.00 C ATOM 591 O GLN A 51 5.011 13.706 -0.688 1.00 0.00 O ATOM 592 CB GLN A 51 4.520 16.691 0.271 1.00 0.00 C ATOM 593 CG GLN A 51 3.743 18.011 0.225 1.00 0.00 C ATOM 594 CD GLN A 51 4.526 19.075 0.994 1.00 0.00 C ATOM 595 OE1 GLN A 51 5.664 19.370 0.685 1.00 0.00 O ATOM 596 NE2 GLN A 51 3.957 19.674 2.004 1.00 0.00 N ATOM 0 H GLN A 51 2.426 15.503 1.596 1.00 0.00 H new ATOM 0 HA GLN A 51 3.396 15.642 -1.248 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.884 16.502 1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.394 16.744 -0.378 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.595 18.325 -0.808 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.754 17.881 0.663 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.002 19.431 2.269 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.467 20.385 2.529 1.00 0.00 H new ATOM 605 N SER A 52 3.939 13.666 1.257 1.00 0.00 N ATOM 606 CA SER A 52 4.542 12.353 1.609 1.00 0.00 C ATOM 607 C SER A 52 3.437 11.313 1.691 1.00 0.00 C ATOM 608 O SER A 52 2.462 11.520 2.383 1.00 0.00 O ATOM 609 CB SER A 52 5.215 12.457 2.980 1.00 0.00 C ATOM 610 OG SER A 52 5.708 11.144 3.210 1.00 0.00 O ATOM 0 H SER A 52 3.305 14.063 1.950 1.00 0.00 H new ATOM 0 HA SER A 52 5.276 12.071 0.854 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.019 13.193 2.977 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.508 12.761 3.752 1.00 0.00 H new ATOM 0 HG SER A 52 5.051 10.634 3.729 1.00 0.00 H new ATOM 616 N ILE A 53 3.584 10.257 0.939 1.00 0.00 N ATOM 617 CA ILE A 53 2.558 9.187 1.000 1.00 0.00 C ATOM 618 C ILE A 53 3.198 8.000 1.695 1.00 0.00 C ATOM 619 O ILE A 53 4.090 7.358 1.177 1.00 0.00 O ATOM 620 CB ILE A 53 2.148 8.787 -0.406 1.00 0.00 C ATOM 621 CG1 ILE A 53 1.119 9.790 -0.944 1.00 0.00 C ATOM 622 CG2 ILE A 53 1.490 7.401 -0.368 1.00 0.00 C ATOM 623 CD1 ILE A 53 1.724 11.198 -0.975 1.00 0.00 C ATOM 0 H ILE A 53 4.358 10.093 0.296 1.00 0.00 H new ATOM 0 HA ILE A 53 1.672 9.528 1.535 1.00 0.00 H new ATOM 0 HB ILE A 53 3.031 8.772 -1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.805 9.498 -1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.228 9.782 -0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.194 7.111 -1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.199 6.673 0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.609 7.434 0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.986 11.903 -1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.016 11.491 0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.601 11.203 -1.622 1.00 0.00 H new ATOM 635 N ASN A 54 2.711 7.754 2.871 1.00 0.00 N ATOM 636 CA ASN A 54 3.245 6.620 3.661 1.00 0.00 C ATOM 637 C ASN A 54 2.243 5.485 3.520 1.00 0.00 C ATOM 638 O ASN A 54 1.056 5.694 3.658 1.00 0.00 O ATOM 639 CB ASN A 54 3.332 7.024 5.131 1.00 0.00 C ATOM 640 CG ASN A 54 3.099 8.523 5.285 1.00 0.00 C ATOM 641 OD1 ASN A 54 3.753 9.351 4.679 1.00 0.00 O ATOM 642 ND2 ASN A 54 2.156 8.887 6.107 1.00 0.00 N ATOM 0 H ASN A 54 1.967 8.288 3.320 1.00 0.00 H new ATOM 0 HA ASN A 54 4.236 6.328 3.314 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.591 6.473 5.711 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.311 6.759 5.530 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.958 9.877 6.249 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.616 8.182 6.608 1.00 0.00 H new ATOM 649 N TRP A 55 2.721 4.317 3.214 1.00 0.00 N ATOM 650 CA TRP A 55 1.773 3.181 3.082 1.00 0.00 C ATOM 651 C TRP A 55 1.834 2.348 4.357 1.00 0.00 C ATOM 652 O TRP A 55 2.783 1.627 4.583 1.00 0.00 O ATOM 653 CB TRP A 55 2.188 2.352 1.878 1.00 0.00 C ATOM 654 CG TRP A 55 1.854 3.155 0.621 1.00 0.00 C ATOM 655 CD1 TRP A 55 2.731 3.890 -0.118 1.00 0.00 C ATOM 656 CD2 TRP A 55 0.640 3.215 0.049 1.00 0.00 C ATOM 657 NE1 TRP A 55 1.973 4.343 -1.103 1.00 0.00 N ATOM 658 CE2 TRP A 55 0.695 3.994 -1.085 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.543 2.618 0.432 1.00 0.00 C ATOM 660 CZ2 TRP A 55 -0.441 4.187 -1.842 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.682 2.806 -0.329 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.629 3.592 -1.467 1.00 0.00 C ATOM 0 H TRP A 55 3.704 4.100 3.052 1.00 0.00 H new ATOM 0 HA TRP A 55 0.751 3.533 2.939 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.254 2.129 1.917 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.663 1.397 1.872 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.783 4.060 0.057 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.355 4.933 -1.842 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.579 2.007 1.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.402 4.803 -2.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.611 2.340 -0.036 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.518 3.740 -2.062 1.00 0.00 H new ATOM 673 N LEU A 56 0.771 2.388 5.111 1.00 0.00 N ATOM 674 CA LEU A 56 0.751 1.639 6.391 1.00 0.00 C ATOM 675 C LEU A 56 0.487 0.175 6.034 1.00 0.00 C ATOM 676 O LEU A 56 -0.633 -0.176 5.720 1.00 0.00 O ATOM 677 CB LEU A 56 -0.433 2.106 7.254 1.00 0.00 C ATOM 678 CG LEU A 56 -0.314 3.582 7.638 1.00 0.00 C ATOM 679 CD1 LEU A 56 -1.697 4.053 8.101 1.00 0.00 C ATOM 680 CD2 LEU A 56 0.647 3.720 8.820 1.00 0.00 C ATOM 0 H LEU A 56 -0.081 2.906 4.894 1.00 0.00 H new ATOM 0 HA LEU A 56 1.687 1.788 6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.364 1.947 6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.485 1.499 8.158 1.00 0.00 H new ATOM 0 HG LEU A 56 0.048 4.165 6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.648 5.105 8.383 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.414 3.928 7.290 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.014 3.462 8.960 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.735 4.771 9.097 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.265 3.152 9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.627 3.336 8.539 1.00 0.00 H new ATOM 692 N ARG A 57 1.508 -0.635 6.093 1.00 0.00 N ATOM 693 CA ARG A 57 1.322 -2.072 5.745 1.00 0.00 C ATOM 694 C ARG A 57 0.706 -2.766 6.951 1.00 0.00 C ATOM 695 O ARG A 57 1.241 -2.681 8.036 1.00 0.00 O ATOM 696 CB ARG A 57 2.690 -2.701 5.451 1.00 0.00 C ATOM 697 CG ARG A 57 2.557 -4.239 5.493 1.00 0.00 C ATOM 698 CD ARG A 57 3.802 -4.860 6.149 1.00 0.00 C ATOM 699 NE ARG A 57 4.174 -4.050 7.345 1.00 0.00 N ATOM 700 CZ ARG A 57 4.159 -4.595 8.532 1.00 0.00 C ATOM 701 NH1 ARG A 57 3.224 -4.243 9.371 1.00 0.00 N ATOM 702 NH2 ARG A 57 5.081 -5.466 8.840 1.00 0.00 N ATOM 0 H ARG A 57 2.454 -0.368 6.364 1.00 0.00 H new ATOM 0 HA ARG A 57 0.680 -2.175 4.870 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.049 -2.381 4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.423 -2.367 6.185 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.664 -4.519 6.052 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.436 -4.629 4.482 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.600 -5.891 6.440 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.629 -4.885 5.439 1.00 0.00 H new ATOM 0 HE ARG A 57 4.440 -3.071 7.236 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.524 -3.555 9.095 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.193 -4.656 10.303 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.799 -5.712 8.158 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.084 -5.901 9.763 1.00 0.00 H new ATOM 716 N ASP A 58 -0.411 -3.407 6.735 1.00 0.00 N ATOM 717 CA ASP A 58 -1.095 -4.118 7.852 1.00 0.00 C ATOM 718 C ASP A 58 -1.684 -3.088 8.814 1.00 0.00 C ATOM 719 O ASP A 58 -2.887 -2.983 8.944 1.00 0.00 O ATOM 720 CB ASP A 58 -0.093 -5.013 8.597 1.00 0.00 C ATOM 721 CG ASP A 58 -0.863 -5.929 9.556 1.00 0.00 C ATOM 722 OD1 ASP A 58 -2.081 -5.877 9.492 1.00 0.00 O ATOM 723 OD2 ASP A 58 -0.186 -6.629 10.293 1.00 0.00 O ATOM 0 H ASP A 58 -0.880 -3.469 5.831 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.893 -4.743 7.451 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.481 -5.608 7.887 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.620 -4.402 9.150 1.00 0.00 H new ATOM 728 N GLY A 59 -0.806 -2.379 9.477 1.00 0.00 N ATOM 729 CA GLY A 59 -1.238 -1.319 10.430 1.00 0.00 C ATOM 730 C GLY A 59 -0.059 -0.417 10.838 1.00 0.00 C ATOM 731 O GLY A 59 -0.157 0.316 11.801 1.00 0.00 O ATOM 0 H GLY A 59 0.204 -2.493 9.395 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.020 -0.713 9.973 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.670 -1.780 11.318 1.00 0.00 H new ATOM 735 N VAL A 60 1.029 -0.481 10.110 1.00 0.00 N ATOM 736 CA VAL A 60 2.204 0.375 10.470 1.00 0.00 C ATOM 737 C VAL A 60 2.829 1.014 9.223 1.00 0.00 C ATOM 738 O VAL A 60 2.919 0.390 8.183 1.00 0.00 O ATOM 739 CB VAL A 60 3.250 -0.505 11.166 1.00 0.00 C ATOM 740 CG1 VAL A 60 4.438 0.369 11.586 1.00 0.00 C ATOM 741 CG2 VAL A 60 2.628 -1.123 12.422 1.00 0.00 C ATOM 0 H VAL A 60 1.155 -1.079 9.294 1.00 0.00 H new ATOM 0 HA VAL A 60 1.869 1.176 11.129 1.00 0.00 H new ATOM 0 HB VAL A 60 3.582 -1.290 10.487 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.187 -0.249 12.082 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.878 0.834 10.704 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.095 1.144 12.272 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.366 -1.750 12.922 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.308 -0.330 13.098 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.767 -1.729 12.141 1.00 0.00 H new ATOM 751 N GLN A 61 3.273 2.237 9.359 1.00 0.00 N ATOM 752 CA GLN A 61 3.887 2.929 8.184 1.00 0.00 C ATOM 753 C GLN A 61 4.851 2.024 7.448 1.00 0.00 C ATOM 754 O GLN A 61 5.721 1.406 8.030 1.00 0.00 O ATOM 755 CB GLN A 61 4.672 4.140 8.634 1.00 0.00 C ATOM 756 CG GLN A 61 4.592 5.204 7.536 1.00 0.00 C ATOM 757 CD GLN A 61 6.007 5.656 7.177 1.00 0.00 C ATOM 758 OE1 GLN A 61 6.662 6.355 7.925 1.00 0.00 O ATOM 759 NE2 GLN A 61 6.519 5.270 6.039 1.00 0.00 N ATOM 0 H GLN A 61 3.239 2.782 10.221 1.00 0.00 H new ATOM 0 HA GLN A 61 3.066 3.215 7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.267 4.528 9.569 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.710 3.869 8.825 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.091 4.800 6.656 1.00 0.00 H new ATOM 0 HG3 GLN A 61 4.001 6.054 7.877 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.974 4.683 5.407 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.464 5.555 5.782 1.00 0.00 H new ATOM 768 N LEU A 62 4.653 1.978 6.166 1.00 0.00 N ATOM 769 CA LEU A 62 5.529 1.125 5.336 1.00 0.00 C ATOM 770 C LEU A 62 5.491 1.514 3.866 1.00 0.00 C ATOM 771 O LEU A 62 5.007 2.551 3.456 1.00 0.00 O ATOM 772 CB LEU A 62 5.038 -0.313 5.431 1.00 0.00 C ATOM 773 CG LEU A 62 6.262 -1.238 5.512 1.00 0.00 C ATOM 774 CD1 LEU A 62 6.604 -1.489 6.984 1.00 0.00 C ATOM 775 CD2 LEU A 62 5.932 -2.571 4.840 1.00 0.00 C ATOM 0 H LEU A 62 3.929 2.490 5.662 1.00 0.00 H new ATOM 0 HA LEU A 62 6.547 1.246 5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.407 -0.441 6.310 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.429 -0.564 4.562 1.00 0.00 H new ATOM 0 HG LEU A 62 7.109 -0.772 5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.472 -2.145 7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.828 -0.541 7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.755 -1.960 7.480 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.798 -3.231 4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.088 -3.036 5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.674 -2.398 3.795 1.00 0.00 H new ATOM 787 N VAL A 63 6.048 0.586 3.147 1.00 0.00 N ATOM 788 CA VAL A 63 6.125 0.643 1.661 1.00 0.00 C ATOM 789 C VAL A 63 6.374 -0.765 1.121 1.00 0.00 C ATOM 790 O VAL A 63 5.816 -1.727 1.610 1.00 0.00 O ATOM 791 CB VAL A 63 7.254 1.572 1.217 1.00 0.00 C ATOM 792 CG1 VAL A 63 6.991 2.997 1.715 1.00 0.00 C ATOM 793 CG2 VAL A 63 8.584 1.082 1.803 1.00 0.00 C ATOM 0 H VAL A 63 6.474 -0.250 3.547 1.00 0.00 H new ATOM 0 HA VAL A 63 5.185 1.032 1.269 1.00 0.00 H new ATOM 0 HB VAL A 63 7.301 1.569 0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.802 3.650 1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.049 3.358 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.935 2.998 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.388 1.746 1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.523 1.080 2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.787 0.071 1.449 1.00 0.00 H new ATOM 843 N ARG A 67 9.088 -7.490 -3.469 1.00 0.00 N ATOM 844 CA ARG A 67 9.212 -7.082 -4.898 1.00 0.00 C ATOM 845 C ARG A 67 8.063 -6.134 -5.249 1.00 0.00 C ATOM 846 O ARG A 67 7.113 -6.493 -5.921 1.00 0.00 O ATOM 847 CB ARG A 67 9.146 -8.335 -5.778 1.00 0.00 C ATOM 848 CG ARG A 67 10.484 -9.082 -5.697 1.00 0.00 C ATOM 849 CD ARG A 67 11.550 -8.289 -6.464 1.00 0.00 C ATOM 850 NE ARG A 67 11.093 -8.135 -7.875 1.00 0.00 N ATOM 851 CZ ARG A 67 11.813 -8.638 -8.839 1.00 0.00 C ATOM 852 NH1 ARG A 67 12.705 -7.883 -9.422 1.00 0.00 N ATOM 853 NH2 ARG A 67 11.617 -9.880 -9.191 1.00 0.00 N ATOM 0 HA ARG A 67 10.161 -6.572 -5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.334 -8.983 -5.448 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.933 -8.058 -6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.783 -9.205 -4.656 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.383 -10.082 -6.120 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.700 -7.312 -6.005 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.508 -8.808 -6.429 1.00 0.00 H new ATOM 0 HE ARG A 67 10.226 -7.641 -8.084 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.830 -6.916 -9.122 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.277 -8.260 -10.178 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.910 -10.440 -8.714 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.171 -10.290 -9.943 1.00 0.00 H new ATOM 867 N THR A 68 8.149 -4.931 -4.756 1.00 0.00 N ATOM 868 CA THR A 68 7.058 -3.981 -5.066 1.00 0.00 C ATOM 869 C THR A 68 7.659 -2.647 -5.506 1.00 0.00 C ATOM 870 O THR A 68 8.792 -2.327 -5.208 1.00 0.00 O ATOM 871 CB THR A 68 6.217 -3.824 -3.796 1.00 0.00 C ATOM 872 OG1 THR A 68 6.954 -2.911 -3.003 1.00 0.00 O ATOM 873 CG2 THR A 68 6.233 -5.114 -2.980 1.00 0.00 C ATOM 0 H THR A 68 8.905 -4.576 -4.170 1.00 0.00 H new ATOM 0 HA THR A 68 6.428 -4.342 -5.879 1.00 0.00 H new ATOM 0 HB THR A 68 5.196 -3.538 -4.047 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.479 -2.751 -2.161 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.630 -4.984 -2.081 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.822 -5.928 -3.578 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.258 -5.353 -2.698 1.00 0.00 H new ATOM 881 N ARG A 69 6.854 -1.909 -6.212 1.00 0.00 N ATOM 882 CA ARG A 69 7.278 -0.580 -6.711 1.00 0.00 C ATOM 883 C ARG A 69 6.450 0.435 -5.935 1.00 0.00 C ATOM 884 O ARG A 69 5.368 0.818 -6.333 1.00 0.00 O ATOM 885 CB ARG A 69 6.976 -0.485 -8.211 1.00 0.00 C ATOM 886 CG ARG A 69 8.092 0.330 -8.874 1.00 0.00 C ATOM 887 CD ARG A 69 7.722 0.599 -10.337 1.00 0.00 C ATOM 888 NE ARG A 69 7.241 -0.674 -10.946 1.00 0.00 N ATOM 889 CZ ARG A 69 8.027 -1.341 -11.745 1.00 0.00 C ATOM 890 NH1 ARG A 69 8.806 -2.259 -11.242 1.00 0.00 N ATOM 891 NH2 ARG A 69 8.008 -1.068 -13.021 1.00 0.00 N ATOM 0 H ARG A 69 5.904 -2.177 -6.468 1.00 0.00 H new ATOM 0 HA ARG A 69 8.345 -0.405 -6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.920 -1.481 -8.651 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.009 -0.009 -8.375 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.234 1.272 -8.344 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.036 -0.212 -8.819 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.948 1.364 -10.397 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.586 0.977 -10.883 1.00 0.00 H new ATOM 0 HE ARG A 69 6.304 -1.021 -10.739 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.794 -2.445 -10.239 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.427 -2.791 -11.852 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.385 -0.343 -13.378 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.616 -1.579 -13.661 1.00 0.00 H new ATOM 905 N ILE A 70 6.934 0.753 -4.770 1.00 0.00 N ATOM 906 CA ILE A 70 6.195 1.744 -3.946 1.00 0.00 C ATOM 907 C ILE A 70 6.515 3.161 -4.371 1.00 0.00 C ATOM 908 O ILE A 70 7.654 3.583 -4.355 1.00 0.00 O ATOM 909 CB ILE A 70 6.567 1.626 -2.471 1.00 0.00 C ATOM 910 CG1 ILE A 70 8.082 1.361 -2.310 1.00 0.00 C ATOM 911 CG2 ILE A 70 5.777 0.475 -1.871 1.00 0.00 C ATOM 912 CD1 ILE A 70 8.757 2.573 -1.676 1.00 0.00 C ATOM 0 H ILE A 70 7.790 0.380 -4.359 1.00 0.00 H new ATOM 0 HA ILE A 70 5.136 1.531 -4.092 1.00 0.00 H new ATOM 0 HB ILE A 70 6.330 2.559 -1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.242 0.479 -1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.529 1.152 -3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.028 0.373 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.710 0.674 -1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.025 -0.448 -2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.824 2.379 -1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.611 3.445 -2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.319 2.762 -0.696 1.00 0.00 H new ATOM 924 N THR A 71 5.490 3.862 -4.756 1.00 0.00 N ATOM 925 CA THR A 71 5.702 5.269 -5.152 1.00 0.00 C ATOM 926 C THR A 71 4.876 6.155 -4.215 1.00 0.00 C ATOM 927 O THR A 71 3.833 5.755 -3.730 1.00 0.00 O ATOM 928 CB THR A 71 5.232 5.470 -6.581 1.00 0.00 C ATOM 929 OG1 THR A 71 3.822 5.470 -6.438 1.00 0.00 O ATOM 930 CG2 THR A 71 5.529 4.239 -7.443 1.00 0.00 C ATOM 0 H THR A 71 4.529 3.524 -4.812 1.00 0.00 H new ATOM 0 HA THR A 71 6.759 5.526 -5.086 1.00 0.00 H new ATOM 0 HB THR A 71 5.693 6.349 -7.031 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.533 4.622 -6.041 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.180 4.415 -8.461 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.603 4.053 -7.454 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.015 3.372 -7.028 1.00 0.00 H new ATOM 938 N GLY A 72 5.394 7.325 -3.969 1.00 0.00 N ATOM 939 CA GLY A 72 4.700 8.302 -3.082 1.00 0.00 C ATOM 940 C GLY A 72 3.246 8.568 -3.490 1.00 0.00 C ATOM 941 O GLY A 72 2.654 9.526 -3.038 1.00 0.00 O ATOM 0 H GLY A 72 6.282 7.651 -4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.720 7.930 -2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.250 9.243 -3.090 1.00 0.00 H new ATOM 945 N GLU A 73 2.708 7.767 -4.371 1.00 0.00 N ATOM 946 CA GLU A 73 1.286 7.965 -4.764 1.00 0.00 C ATOM 947 C GLU A 73 0.558 6.615 -4.765 1.00 0.00 C ATOM 948 O GLU A 73 -0.609 6.523 -4.445 1.00 0.00 O ATOM 949 CB GLU A 73 1.234 8.584 -6.169 1.00 0.00 C ATOM 950 CG GLU A 73 1.868 7.622 -7.179 1.00 0.00 C ATOM 951 CD GLU A 73 1.655 8.176 -8.590 1.00 0.00 C ATOM 952 OE1 GLU A 73 2.224 9.224 -8.851 1.00 0.00 O ATOM 953 OE2 GLU A 73 0.932 7.520 -9.323 1.00 0.00 O ATOM 0 H GLU A 73 3.187 6.992 -4.830 1.00 0.00 H new ATOM 0 HA GLU A 73 0.798 8.631 -4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.201 8.791 -6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.763 9.537 -6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.933 7.509 -6.975 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.419 6.633 -7.090 1.00 0.00 H new ATOM 960 N GLU A 74 1.265 5.575 -5.111 1.00 0.00 N ATOM 961 CA GLU A 74 0.608 4.245 -5.149 1.00 0.00 C ATOM 962 C GLU A 74 1.602 3.170 -4.745 1.00 0.00 C ATOM 963 O GLU A 74 2.789 3.307 -4.951 1.00 0.00 O ATOM 964 CB GLU A 74 0.113 3.983 -6.580 1.00 0.00 C ATOM 965 CG GLU A 74 -0.018 2.470 -6.819 1.00 0.00 C ATOM 966 CD GLU A 74 -1.089 2.221 -7.886 1.00 0.00 C ATOM 967 OE1 GLU A 74 -0.900 2.723 -8.982 1.00 0.00 O ATOM 968 OE2 GLU A 74 -2.045 1.550 -7.535 1.00 0.00 O ATOM 0 H GLU A 74 2.253 5.589 -5.365 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.233 4.225 -4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.850 4.469 -6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.809 4.415 -7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.937 2.056 -7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.287 1.965 -5.891 1.00 0.00 H new ATOM 975 N VAL A 75 1.076 2.131 -4.176 1.00 0.00 N ATOM 976 CA VAL A 75 1.944 1.002 -3.761 1.00 0.00 C ATOM 977 C VAL A 75 1.699 -0.110 -4.761 1.00 0.00 C ATOM 978 O VAL A 75 0.594 -0.606 -4.851 1.00 0.00 O ATOM 979 CB VAL A 75 1.526 0.533 -2.368 1.00 0.00 C ATOM 980 CG1 VAL A 75 1.795 -0.974 -2.233 1.00 0.00 C ATOM 981 CG2 VAL A 75 2.365 1.247 -1.326 1.00 0.00 C ATOM 0 H VAL A 75 0.082 2.013 -3.979 1.00 0.00 H new ATOM 0 HA VAL A 75 2.995 1.290 -3.732 1.00 0.00 H new ATOM 0 HB VAL A 75 0.467 0.747 -2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.497 -1.309 -1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.221 -1.515 -2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.858 -1.168 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.069 0.915 -0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.418 1.017 -1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.211 2.323 -1.410 1.00 0.00 H new ATOM 991 N GLU A 76 2.684 -0.397 -5.564 1.00 0.00 N ATOM 992 CA GLU A 76 2.485 -1.513 -6.529 1.00 0.00 C ATOM 993 C GLU A 76 3.202 -2.753 -5.994 1.00 0.00 C ATOM 994 O GLU A 76 4.390 -2.892 -6.183 1.00 0.00 O ATOM 995 CB GLU A 76 3.075 -1.111 -7.884 1.00 0.00 C ATOM 996 CG GLU A 76 2.903 -2.280 -8.859 1.00 0.00 C ATOM 997 CD GLU A 76 3.307 -1.822 -10.263 1.00 0.00 C ATOM 998 OE1 GLU A 76 4.485 -1.555 -10.428 1.00 0.00 O ATOM 999 OE2 GLU A 76 2.409 -1.763 -11.087 1.00 0.00 O ATOM 0 H GLU A 76 3.588 0.074 -5.596 1.00 0.00 H new ATOM 0 HA GLU A 76 1.424 -1.729 -6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.573 -0.222 -8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.130 -0.860 -7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.518 -3.124 -8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.868 -2.622 -8.858 1.00 0.00 H new ATOM 1006 N VAL A 77 2.475 -3.640 -5.370 1.00 0.00 N ATOM 1007 CA VAL A 77 3.128 -4.863 -4.820 1.00 0.00 C ATOM 1008 C VAL A 77 3.107 -5.870 -5.964 1.00 0.00 C ATOM 1009 O VAL A 77 2.101 -6.496 -6.221 1.00 0.00 O ATOM 1010 CB VAL A 77 2.340 -5.372 -3.575 1.00 0.00 C ATOM 1011 CG1 VAL A 77 2.702 -4.501 -2.367 1.00 0.00 C ATOM 1012 CG2 VAL A 77 0.837 -5.230 -3.797 1.00 0.00 C ATOM 0 H VAL A 77 1.469 -3.573 -5.218 1.00 0.00 H new ATOM 0 HA VAL A 77 4.148 -4.685 -4.478 1.00 0.00 H new ATOM 0 HB VAL A 77 2.598 -6.418 -3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.156 -4.849 -1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.773 -4.569 -2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.435 -3.464 -2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.304 -5.590 -2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.592 -4.181 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.541 -5.817 -4.667 1.00 0.00 H new ATOM 1022 N ARG A 78 4.225 -5.984 -6.629 1.00 0.00 N ATOM 1023 CA ARG A 78 4.307 -6.899 -7.800 1.00 0.00 C ATOM 1024 C ARG A 78 4.833 -8.213 -7.246 1.00 0.00 C ATOM 1025 O ARG A 78 5.861 -8.731 -7.637 1.00 0.00 O ATOM 1026 CB ARG A 78 5.270 -6.253 -8.817 1.00 0.00 C ATOM 1027 CG ARG A 78 5.276 -7.033 -10.138 1.00 0.00 C ATOM 1028 CD ARG A 78 6.185 -8.239 -9.954 1.00 0.00 C ATOM 1029 NE ARG A 78 6.940 -8.513 -11.206 1.00 0.00 N ATOM 1030 CZ ARG A 78 8.085 -9.130 -11.093 1.00 0.00 C ATOM 1031 NH1 ARG A 78 8.412 -9.597 -9.919 1.00 0.00 N ATOM 1032 NH2 ARG A 78 8.850 -9.256 -12.143 1.00 0.00 N ATOM 0 H ARG A 78 5.085 -5.482 -6.410 1.00 0.00 H new ATOM 0 HA ARG A 78 3.359 -7.074 -8.309 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.972 -5.221 -9.001 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.278 -6.225 -8.402 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.267 -7.350 -10.400 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.634 -6.404 -10.953 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.880 -8.057 -9.135 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.592 -9.112 -9.681 1.00 0.00 H new ATOM 0 HE ARG A 78 6.578 -8.230 -12.117 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.781 -9.474 -9.127 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.299 -10.085 -9.793 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.551 -8.874 -13.040 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.747 -9.736 -12.066 1.00 0.00 H new ATOM 1046 N ASP A 79 4.102 -8.697 -6.284 1.00 0.00 N ATOM 1047 CA ASP A 79 4.529 -9.954 -5.637 1.00 0.00 C ATOM 1048 C ASP A 79 3.394 -10.622 -4.879 1.00 0.00 C ATOM 1049 O ASP A 79 3.323 -11.834 -4.832 1.00 0.00 O ATOM 1050 CB ASP A 79 5.682 -9.620 -4.692 1.00 0.00 C ATOM 1051 CG ASP A 79 5.333 -8.486 -3.714 1.00 0.00 C ATOM 1052 OD1 ASP A 79 4.196 -8.047 -3.734 1.00 0.00 O ATOM 1053 OD2 ASP A 79 6.253 -8.114 -3.005 1.00 0.00 O ATOM 0 H ASP A 79 3.242 -8.281 -5.926 1.00 0.00 H new ATOM 0 HA ASP A 79 4.846 -10.663 -6.402 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.954 -10.512 -4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.556 -9.334 -5.277 1.00 0.00 H new ATOM 1058 N SER A 80 2.510 -9.822 -4.342 1.00 0.00 N ATOM 1059 CA SER A 80 1.407 -10.409 -3.534 1.00 0.00 C ATOM 1060 C SER A 80 2.017 -11.575 -2.769 1.00 0.00 C ATOM 1061 O SER A 80 1.910 -12.718 -3.164 1.00 0.00 O ATOM 1062 CB SER A 80 0.288 -10.874 -4.463 1.00 0.00 C ATOM 1063 OG SER A 80 -0.488 -9.697 -4.625 1.00 0.00 O ATOM 0 H SER A 80 2.505 -8.806 -4.427 1.00 0.00 H new ATOM 0 HA SER A 80 0.971 -9.688 -2.842 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.676 -11.238 -5.414 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.293 -11.685 -4.024 1.00 0.00 H new ATOM 0 HG SER A 80 -0.616 -9.267 -3.754 1.00 0.00 H new ATOM 1069 N ILE A 81 2.697 -11.210 -1.719 1.00 0.00 N ATOM 1070 CA ILE A 81 3.398 -12.209 -0.870 1.00 0.00 C ATOM 1071 C ILE A 81 2.709 -12.192 0.485 1.00 0.00 C ATOM 1072 O ILE A 81 1.886 -11.334 0.719 1.00 0.00 O ATOM 1073 CB ILE A 81 4.865 -11.761 -0.737 1.00 0.00 C ATOM 1074 CG1 ILE A 81 4.980 -10.231 -0.941 1.00 0.00 C ATOM 1075 CG2 ILE A 81 5.691 -12.470 -1.814 1.00 0.00 C ATOM 1076 CD1 ILE A 81 6.359 -9.795 -0.442 1.00 0.00 C ATOM 0 H ILE A 81 2.798 -10.243 -1.409 1.00 0.00 H new ATOM 0 HA ILE A 81 3.369 -13.215 -1.290 1.00 0.00 H new ATOM 0 HB ILE A 81 5.231 -12.014 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.856 -9.976 -1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.194 -9.712 -0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.734 -12.163 -1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.618 -13.549 -1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.309 -12.203 -2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.470 -8.719 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.459 -10.044 0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.132 -10.311 -1.011 1.00 0.00 H new ATOM 1088 N PRO A 82 3.062 -13.097 1.359 1.00 0.00 N ATOM 1089 CA PRO A 82 2.514 -13.101 2.732 1.00 0.00 C ATOM 1090 C PRO A 82 2.128 -11.690 3.197 1.00 0.00 C ATOM 1091 O PRO A 82 1.025 -11.477 3.653 1.00 0.00 O ATOM 1092 CB PRO A 82 3.637 -13.722 3.567 1.00 0.00 C ATOM 1093 CG PRO A 82 4.533 -14.526 2.566 1.00 0.00 C ATOM 1094 CD PRO A 82 4.101 -14.129 1.134 1.00 0.00 C ATOM 0 HA PRO A 82 1.585 -13.664 2.820 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.216 -12.951 4.075 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.232 -14.377 4.339 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.587 -14.298 2.726 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.412 -15.598 2.720 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.938 -13.736 0.557 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.706 -14.982 0.583 1.00 0.00 H new ATOM 1102 N ALA A 83 3.024 -10.758 3.017 1.00 0.00 N ATOM 1103 CA ALA A 83 2.759 -9.346 3.435 1.00 0.00 C ATOM 1104 C ALA A 83 1.342 -8.824 3.120 1.00 0.00 C ATOM 1105 O ALA A 83 0.793 -8.053 3.882 1.00 0.00 O ATOM 1106 CB ALA A 83 3.778 -8.448 2.732 1.00 0.00 C ATOM 0 H ALA A 83 3.939 -10.914 2.594 1.00 0.00 H new ATOM 0 HA ALA A 83 2.846 -9.325 4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.608 -7.410 3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.786 -8.744 3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.668 -8.548 1.652 1.00 0.00 H new ATOM 1112 N ASP A 84 0.777 -9.246 2.020 1.00 0.00 N ATOM 1113 CA ASP A 84 -0.577 -8.759 1.632 1.00 0.00 C ATOM 1114 C ASP A 84 -1.680 -9.209 2.591 1.00 0.00 C ATOM 1115 O ASP A 84 -2.843 -9.117 2.262 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.890 -9.272 0.220 1.00 0.00 C ATOM 1117 CG ASP A 84 -0.365 -8.283 -0.830 1.00 0.00 C ATOM 1118 OD1 ASP A 84 0.223 -7.294 -0.425 1.00 0.00 O ATOM 1119 OD2 ASP A 84 -0.577 -8.587 -1.992 1.00 0.00 O ATOM 0 H ASP A 84 1.198 -9.911 1.371 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.558 -7.670 1.669 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.432 -10.250 0.070 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.966 -9.402 0.102 1.00 0.00 H new ATOM 1124 N SER A 85 -1.316 -9.805 3.691 1.00 0.00 N ATOM 1125 CA SER A 85 -2.368 -10.191 4.678 1.00 0.00 C ATOM 1126 C SER A 85 -2.465 -9.139 5.791 1.00 0.00 C ATOM 1127 O SER A 85 -1.961 -9.338 6.879 1.00 0.00 O ATOM 1128 CB SER A 85 -2.006 -11.543 5.272 1.00 0.00 C ATOM 1129 OG SER A 85 -1.604 -12.266 4.122 1.00 0.00 O ATOM 0 H SER A 85 -0.357 -10.039 3.949 1.00 0.00 H new ATOM 0 HA SER A 85 -3.335 -10.251 4.178 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.205 -11.465 6.007 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.854 -12.010 5.773 1.00 0.00 H new ATOM 0 HG SER A 85 -0.645 -12.133 3.971 1.00 0.00 H new ATOM 1135 N GLY A 86 -3.107 -8.037 5.500 1.00 0.00 N ATOM 1136 CA GLY A 86 -3.234 -6.972 6.537 1.00 0.00 C ATOM 1137 C GLY A 86 -3.894 -5.712 5.965 1.00 0.00 C ATOM 1138 O GLY A 86 -4.325 -5.674 4.829 1.00 0.00 O ATOM 0 H GLY A 86 -3.543 -7.831 4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.823 -7.345 7.374 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.247 -6.723 6.928 1.00 0.00 H new ATOM 1142 N LEU A 87 -3.952 -4.681 6.764 1.00 0.00 N ATOM 1143 CA LEU A 87 -4.588 -3.441 6.250 1.00 0.00 C ATOM 1144 C LEU A 87 -3.539 -2.567 5.570 1.00 0.00 C ATOM 1145 O LEU A 87 -2.581 -2.137 6.181 1.00 0.00 O ATOM 1146 CB LEU A 87 -5.213 -2.681 7.425 1.00 0.00 C ATOM 1147 CG LEU A 87 -6.503 -2.002 6.949 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -7.595 -3.066 6.796 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -6.949 -0.987 8.005 1.00 0.00 C ATOM 0 H LEU A 87 -3.598 -4.644 7.720 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.359 -3.696 5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.428 -3.366 8.245 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.514 -1.937 7.807 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.331 -1.500 5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.518 -2.594 6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.278 -3.810 6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.767 -3.552 7.757 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.866 -0.498 7.676 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.130 -1.500 8.949 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.169 -0.239 8.143 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.737 -2.350 4.299 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.790 -1.489 3.545 1.00 0.00 C ATOM 1163 C TYR A 88 -3.464 -0.136 3.421 1.00 0.00 C ATOM 1164 O TYR A 88 -4.193 0.141 2.491 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.547 -2.089 2.169 1.00 0.00 C ATOM 1166 CG TYR A 88 -1.414 -3.099 2.302 1.00 0.00 C ATOM 1167 CD1 TYR A 88 -1.671 -4.371 2.764 1.00 0.00 C ATOM 1168 CD2 TYR A 88 -0.122 -2.745 1.980 1.00 0.00 C ATOM 1169 CE1 TYR A 88 -0.648 -5.284 2.897 1.00 0.00 C ATOM 1170 CE2 TYR A 88 0.902 -3.655 2.118 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.647 -4.931 2.576 1.00 0.00 C ATOM 1172 OH TYR A 88 1.677 -5.839 2.708 1.00 0.00 O ATOM 0 H TYR A 88 -4.511 -2.731 3.754 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.826 -1.403 4.046 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.450 -2.573 1.797 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.284 -1.311 1.453 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.680 -4.654 3.023 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.088 -1.750 1.618 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.860 -6.281 3.254 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.912 -3.368 1.866 1.00 0.00 H new ATOM 0 HH TYR A 88 1.472 -6.462 3.436 1.00 0.00 H new ATOM 1182 N ALA A 89 -3.189 0.684 4.388 1.00 0.00 N ATOM 1183 CA ALA A 89 -3.826 2.027 4.382 1.00 0.00 C ATOM 1184 C ALA A 89 -2.824 3.030 3.832 1.00 0.00 C ATOM 1185 O ALA A 89 -1.643 2.948 4.093 1.00 0.00 O ATOM 1186 CB ALA A 89 -4.204 2.399 5.815 1.00 0.00 C ATOM 0 H ALA A 89 -2.563 0.491 5.170 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.723 2.028 3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.673 3.383 5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.902 1.661 6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.307 2.419 6.434 1.00 0.00 H new ATOM 1192 N CYS A 90 -3.323 4.002 3.132 1.00 0.00 N ATOM 1193 CA CYS A 90 -2.405 5.003 2.538 1.00 0.00 C ATOM 1194 C CYS A 90 -2.570 6.288 3.325 1.00 0.00 C ATOM 1195 O CYS A 90 -3.672 6.780 3.462 1.00 0.00 O ATOM 1196 CB CYS A 90 -2.809 5.231 1.089 1.00 0.00 C ATOM 1197 SG CYS A 90 -4.053 6.505 0.769 1.00 0.00 S ATOM 0 H CYS A 90 -4.315 4.147 2.946 1.00 0.00 H new ATOM 0 HA CYS A 90 -1.369 4.667 2.572 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.912 5.485 0.524 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.181 4.288 0.689 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.478 6.773 3.847 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.550 8.030 4.631 1.00 0.00 C ATOM 1204 C VAL A 91 -0.841 9.123 3.847 1.00 0.00 C ATOM 1205 O VAL A 91 0.334 9.032 3.557 1.00 0.00 O ATOM 1206 CB VAL A 91 -0.842 7.847 5.965 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -1.142 9.052 6.860 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -1.355 6.583 6.646 1.00 0.00 C ATOM 0 H VAL A 91 -0.550 6.357 3.765 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.592 8.295 4.809 1.00 0.00 H new ATOM 0 HB VAL A 91 0.232 7.763 5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.638 8.928 7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.785 9.962 6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.217 9.126 7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.847 6.453 7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.428 6.671 6.814 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.157 5.721 6.009 1.00 0.00 H new ATOM 1218 N THR A 92 -1.594 10.138 3.557 1.00 0.00 N ATOM 1219 CA THR A 92 -1.055 11.288 2.789 1.00 0.00 C ATOM 1220 C THR A 92 -0.803 12.369 3.830 1.00 0.00 C ATOM 1221 O THR A 92 -1.716 12.759 4.529 1.00 0.00 O ATOM 1222 CB THR A 92 -2.120 11.728 1.789 1.00 0.00 C ATOM 1223 OG1 THR A 92 -3.229 12.095 2.599 1.00 0.00 O ATOM 1224 CG2 THR A 92 -2.623 10.527 0.986 1.00 0.00 C ATOM 0 H THR A 92 -2.575 10.222 3.823 1.00 0.00 H new ATOM 0 HA THR A 92 -0.145 11.060 2.234 1.00 0.00 H new ATOM 0 HB THR A 92 -1.731 12.500 1.126 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.971 12.056 3.544 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.382 10.856 0.277 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.791 10.077 0.444 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.055 9.791 1.664 1.00 0.00 H new ATOM 1232 N SER A 93 0.424 12.796 3.930 1.00 0.00 N ATOM 1233 CA SER A 93 0.762 13.819 4.958 1.00 0.00 C ATOM 1234 C SER A 93 1.378 15.080 4.357 1.00 0.00 C ATOM 1235 O SER A 93 2.063 15.035 3.353 1.00 0.00 O ATOM 1236 CB SER A 93 1.770 13.204 5.937 1.00 0.00 C ATOM 1237 OG SER A 93 1.276 11.894 6.187 1.00 0.00 O ATOM 0 H SER A 93 1.202 12.484 3.349 1.00 0.00 H new ATOM 0 HA SER A 93 -0.164 14.110 5.453 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.772 13.174 5.508 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.834 13.785 6.857 1.00 0.00 H new ATOM 0 HG SER A 93 0.339 11.946 6.468 1.00 0.00 H new ATOM 1243 N SER A 94 1.060 16.167 5.010 1.00 0.00 N ATOM 1244 CA SER A 94 1.576 17.507 4.615 1.00 0.00 C ATOM 1245 C SER A 94 1.763 18.296 5.910 1.00 0.00 C ATOM 1246 O SER A 94 0.818 18.488 6.649 1.00 0.00 O ATOM 1247 CB SER A 94 0.533 18.216 3.755 1.00 0.00 C ATOM 1248 OG SER A 94 1.255 19.294 3.176 1.00 0.00 O ATOM 0 H SER A 94 0.446 16.179 5.824 1.00 0.00 H new ATOM 0 HA SER A 94 2.506 17.424 4.052 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.123 17.553 2.993 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.306 18.571 4.353 1.00 0.00 H new ATOM 0 HG SER A 94 1.028 19.367 2.225 1.00 0.00 H new ATOM 1254 N PRO A 95 2.975 18.706 6.165 1.00 0.00 N ATOM 1255 CA PRO A 95 3.781 18.178 7.295 1.00 0.00 C ATOM 1256 C PRO A 95 3.141 18.406 8.677 1.00 0.00 C ATOM 1257 O PRO A 95 3.686 17.992 9.680 1.00 0.00 O ATOM 1258 CB PRO A 95 5.123 18.917 7.197 1.00 0.00 C ATOM 1259 CG PRO A 95 4.976 20.006 6.093 1.00 0.00 C ATOM 1260 CD PRO A 95 3.649 19.746 5.356 1.00 0.00 C ATOM 0 HA PRO A 95 3.874 17.095 7.215 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.381 19.372 8.153 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.926 18.223 6.947 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.980 21.002 6.535 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.815 19.963 5.398 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.046 20.652 5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.822 19.405 4.335 1.00 0.00 H new ATOM 1268 N SER A 96 2.006 19.053 8.707 1.00 0.00 N ATOM 1269 CA SER A 96 1.332 19.312 10.014 1.00 0.00 C ATOM 1270 C SER A 96 0.045 18.491 10.172 1.00 0.00 C ATOM 1271 O SER A 96 -0.378 18.205 11.275 1.00 0.00 O ATOM 1272 CB SER A 96 0.990 20.800 10.093 1.00 0.00 C ATOM 1273 OG SER A 96 2.257 21.440 10.023 1.00 0.00 O ATOM 0 H SER A 96 1.518 19.412 7.887 1.00 0.00 H new ATOM 0 HA SER A 96 2.011 19.018 10.815 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.341 21.106 9.273 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.469 21.043 11.019 1.00 0.00 H new ATOM 0 HG SER A 96 2.136 22.412 10.065 1.00 0.00 H new ATOM 1279 N GLY A 97 -0.551 18.130 9.066 1.00 0.00 N ATOM 1280 CA GLY A 97 -1.812 17.334 9.122 1.00 0.00 C ATOM 1281 C GLY A 97 -1.740 16.162 8.139 1.00 0.00 C ATOM 1282 O GLY A 97 -0.879 16.120 7.283 1.00 0.00 O ATOM 0 H GLY A 97 -0.219 18.352 8.127 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.971 16.961 10.134 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.663 17.970 8.880 1.00 0.00 H new ATOM 1286 N SER A 98 -2.651 15.237 8.278 1.00 0.00 N ATOM 1287 CA SER A 98 -2.637 14.067 7.353 1.00 0.00 C ATOM 1288 C SER A 98 -4.048 13.542 7.060 1.00 0.00 C ATOM 1289 O SER A 98 -4.980 13.774 7.806 1.00 0.00 O ATOM 1290 CB SER A 98 -1.803 12.957 7.999 1.00 0.00 C ATOM 1291 OG SER A 98 -1.651 12.004 6.959 1.00 0.00 O ATOM 0 H SER A 98 -3.392 15.239 8.979 1.00 0.00 H new ATOM 0 HA SER A 98 -2.207 14.383 6.402 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.839 13.330 8.345 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.308 12.528 8.865 1.00 0.00 H new ATOM 0 HG SER A 98 -1.510 12.469 6.108 1.00 0.00 H new ATOM 1297 N ASP A 99 -4.151 12.842 5.963 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.453 12.250 5.538 1.00 0.00 C ATOM 1299 C ASP A 99 -5.205 10.772 5.246 1.00 0.00 C ATOM 1300 O ASP A 99 -4.167 10.426 4.720 1.00 0.00 O ATOM 1301 CB ASP A 99 -5.924 12.938 4.253 1.00 0.00 C ATOM 1302 CG ASP A 99 -5.934 14.455 4.459 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -4.845 15.005 4.488 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -7.031 14.976 4.577 1.00 0.00 O ATOM 0 H ASP A 99 -3.373 12.652 5.331 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.209 12.377 6.313 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.264 12.677 3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -6.922 12.590 3.987 1.00 0.00 H new ATOM 1309 N THR A 100 -6.147 9.927 5.564 1.00 0.00 N ATOM 1310 CA THR A 100 -5.899 8.483 5.295 1.00 0.00 C ATOM 1311 C THR A 100 -7.039 7.795 4.541 1.00 0.00 C ATOM 1312 O THR A 100 -8.208 8.032 4.773 1.00 0.00 O ATOM 1313 CB THR A 100 -5.671 7.781 6.632 1.00 0.00 C ATOM 1314 OG1 THR A 100 -4.542 8.442 7.185 1.00 0.00 O ATOM 1315 CG2 THR A 100 -5.197 6.340 6.415 1.00 0.00 C ATOM 0 H THR A 100 -7.047 10.161 5.984 1.00 0.00 H new ATOM 0 HA THR A 100 -5.024 8.414 4.648 1.00 0.00 H new ATOM 0 HB THR A 100 -6.582 7.796 7.231 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.327 8.048 8.056 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.041 5.859 7.381 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.952 5.789 5.853 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.261 6.345 5.857 1.00 0.00 H new ATOM 1323 N THR A 101 -6.617 6.948 3.644 1.00 0.00 N ATOM 1324 CA THR A 101 -7.554 6.149 2.800 1.00 0.00 C ATOM 1325 C THR A 101 -7.196 4.680 3.055 1.00 0.00 C ATOM 1326 O THR A 101 -6.027 4.386 3.184 1.00 0.00 O ATOM 1327 CB THR A 101 -7.293 6.516 1.335 1.00 0.00 C ATOM 1328 OG1 THR A 101 -6.347 7.574 1.397 1.00 0.00 O ATOM 1329 CG2 THR A 101 -8.524 7.175 0.721 1.00 0.00 C ATOM 0 H THR A 101 -5.631 6.770 3.454 1.00 0.00 H new ATOM 0 HA THR A 101 -8.603 6.336 3.028 1.00 0.00 H new ATOM 0 HB THR A 101 -6.999 5.631 0.771 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.564 7.345 0.853 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.320 7.429 -0.319 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.367 6.486 0.768 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.766 8.082 1.275 1.00 0.00 H new ATOM 1337 N TYR A 102 -8.132 3.765 3.080 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.689 2.369 3.394 1.00 0.00 C ATOM 1339 C TYR A 102 -7.920 1.297 2.327 1.00 0.00 C ATOM 1340 O TYR A 102 -9.012 1.045 1.868 1.00 0.00 O ATOM 1341 CB TYR A 102 -8.391 1.904 4.665 1.00 0.00 C ATOM 1342 CG TYR A 102 -8.256 2.971 5.743 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -9.028 4.109 5.691 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -7.373 2.796 6.783 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -8.922 5.069 6.674 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -7.261 3.756 7.768 1.00 0.00 C ATOM 1347 CZ TYR A 102 -8.035 4.900 7.720 1.00 0.00 C ATOM 1348 OH TYR A 102 -7.924 5.860 8.704 1.00 0.00 O ATOM 0 H TYR A 102 -9.127 3.906 2.908 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.606 2.457 3.482 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.444 1.710 4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.956 0.966 5.011 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.721 4.251 4.875 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -6.765 1.904 6.829 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.535 5.957 6.627 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.565 3.613 8.581 1.00 0.00 H new ATOM 0 HH TYR A 102 -7.254 5.578 9.362 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.840 0.671 1.969 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.885 -0.443 0.991 1.00 0.00 C ATOM 1360 C PHE A 103 -6.639 -1.716 1.787 1.00 0.00 C ATOM 1361 O PHE A 103 -5.519 -2.003 2.158 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.746 -0.311 -0.014 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.783 1.065 -0.653 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -5.477 2.186 0.091 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -6.131 1.194 -1.979 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -5.525 3.434 -0.485 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -6.177 2.444 -2.560 1.00 0.00 C ATOM 1368 CZ PHE A 103 -5.877 3.563 -1.809 1.00 0.00 C ATOM 0 H PHE A 103 -5.908 0.890 2.321 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.837 -0.444 0.460 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.789 -0.465 0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.834 -1.081 -0.781 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.199 2.083 1.129 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.368 0.317 -2.563 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -5.287 4.310 0.100 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.447 2.547 -3.601 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.919 4.543 -2.262 1.00 0.00 H new ATOM 1378 N SER A 104 -7.664 -2.470 2.057 1.00 0.00 N ATOM 1379 CA SER A 104 -7.377 -3.711 2.821 1.00 0.00 C ATOM 1380 C SER A 104 -6.811 -4.699 1.811 1.00 0.00 C ATOM 1381 O SER A 104 -7.380 -4.923 0.760 1.00 0.00 O ATOM 1382 CB SER A 104 -8.671 -4.269 3.439 1.00 0.00 C ATOM 1383 OG SER A 104 -9.256 -5.054 2.410 1.00 0.00 O ATOM 0 H SER A 104 -8.636 -2.297 1.800 1.00 0.00 H new ATOM 0 HA SER A 104 -6.680 -3.525 3.638 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.460 -4.870 4.323 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.338 -3.466 3.752 1.00 0.00 H new ATOM 0 HG SER A 104 -10.002 -5.573 2.778 1.00 0.00 H new ATOM 1389 N VAL A 105 -5.670 -5.244 2.126 1.00 0.00 N ATOM 1390 CA VAL A 105 -5.076 -6.210 1.170 1.00 0.00 C ATOM 1391 C VAL A 105 -4.923 -7.533 1.886 1.00 0.00 C ATOM 1392 O VAL A 105 -4.387 -7.603 2.973 1.00 0.00 O ATOM 1393 CB VAL A 105 -3.710 -5.719 0.691 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -3.158 -6.779 -0.251 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -3.907 -4.397 -0.055 1.00 0.00 C ATOM 0 H VAL A 105 -5.138 -5.068 2.978 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.721 -6.316 0.297 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.021 -5.558 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.180 -6.467 -0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -3.061 -7.725 0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.837 -6.906 -1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.942 -4.030 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.567 -4.555 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.353 -3.663 0.617 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.438 -8.552 1.264 1.00 0.00 N ATOM 1406 CA ASN A 106 -5.335 -9.892 1.899 1.00 0.00 C ATOM 1407 C ASN A 106 -4.756 -10.925 0.934 1.00 0.00 C ATOM 1408 O ASN A 106 -5.226 -11.096 -0.173 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.733 -10.322 2.376 1.00 0.00 C ATOM 1410 CG ASN A 106 -7.824 -9.450 1.736 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -7.987 -8.286 2.050 1.00 0.00 O ATOM 1412 ND2 ASN A 106 -8.610 -9.993 0.847 1.00 0.00 N ATOM 0 H ASN A 106 -5.916 -8.520 0.363 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.655 -9.830 2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.902 -11.368 2.121 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.791 -10.245 3.462 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.355 -9.442 0.420 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.479 -10.968 0.579 1.00 0.00 H new ATOM 1419 N VAL A 107 -3.693 -11.562 1.343 1.00 0.00 N ATOM 1420 CA VAL A 107 -3.114 -12.602 0.450 1.00 0.00 C ATOM 1421 C VAL A 107 -3.865 -13.914 0.708 1.00 0.00 C ATOM 1422 O VAL A 107 -4.096 -14.293 1.840 1.00 0.00 O ATOM 1423 CB VAL A 107 -1.611 -12.737 0.765 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -1.334 -14.042 1.519 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -0.836 -12.757 -0.557 1.00 0.00 C ATOM 0 H VAL A 107 -3.213 -11.414 2.230 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.218 -12.338 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.299 -11.897 1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.268 -14.120 1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.893 -14.047 2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.644 -14.889 0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.230 -12.852 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.167 -13.603 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.020 -11.830 -1.101 1.00 0.00 H new ATOM 1435 N SER A 108 -4.164 -14.628 -0.343 1.00 0.00 N ATOM 1436 CA SER A 108 -4.930 -15.896 -0.168 1.00 0.00 C ATOM 1437 C SER A 108 -4.047 -17.041 0.325 1.00 0.00 C ATOM 1438 O SER A 108 -4.129 -18.162 -0.134 1.00 0.00 O ATOM 1439 CB SER A 108 -5.540 -16.271 -1.518 1.00 0.00 C ATOM 1440 OG SER A 108 -6.404 -17.355 -1.210 1.00 0.00 O ATOM 0 H SER A 108 -3.915 -14.393 -1.304 1.00 0.00 H new ATOM 0 HA SER A 108 -5.700 -15.735 0.586 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.087 -15.436 -1.956 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.774 -16.562 -2.236 1.00 0.00 H new ATOM 0 HG SER A 108 -5.907 -18.039 -0.715 1.00 0.00 H new