USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 740 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 88 THR OG1 : rot 170:sc= -1.39 USER MOD Set 1.2: A 106 THR OG1 : rot 180:sc= 0.064 USER MOD Set 2.1: A 86 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 108 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 82 THR OG1 : rot 113:sc= 1.21 USER MOD Set 3.2: A 87 TYR OH : rot 180:sc= 0.973 USER MOD Set 4.1: A 67 HIS :FLIP no HE2:sc= -1.42 F(o=-6.7!,f=-3.1) USER MOD Set 4.2: A 76 TYR OH : rot 180:sc= -1.64 USER MOD Single : A 23 HIS : no HD1:sc= -0.455 X(o=-0.46,f=-0.42) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 10:sc= 0.648 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.735 USER MOD Single : A 35 LYS NZ :NH3+ -156:sc= -0.24 (180deg=-1.32!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 44 LYS NZ :NH3+ 159:sc= 0.238 (180deg=0.0752) USER MOD Single : A 45 ASN : amide:sc= 2 K(o=2,f=-0.13) USER MOD Single : A 49 THR OG1 : rot -135:sc= 0.659 USER MOD Single : A 51 TYR OH : rot -15:sc= -2.53 USER MOD Single : A 54 SER OG : rot -140:sc= -0.616 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0416 K(o=-0.042,f=-1.6) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 63 THR OG1 : rot 23:sc= -1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0963 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.508 K(o=-0.51,f=-6.4!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 76:sc= 0.256 USER MOD Single : A 94 MET CE :methyl -159:sc= -0.786 (180deg=-2.6!) USER MOD Single : A 95 THR OG1 : rot 150:sc= -1.3 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 161:sc= -0.0347 (180deg=-0.288) USER MOD Single : A 99 GLN :FLIP amide:sc= -1.86! F(o=-2.9,f=-1.9!) USER MOD Single : A 101 GLN : amide:sc= -0.314 K(o=-0.31,f=-2!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -156:sc= -0.118! USER MOD ----------------------------------------------------------------- ATOM 202 N ASP A 16 16.323 -0.925 -13.339 1.00 0.00 N ATOM 203 CA ASP A 16 17.005 0.072 -12.531 1.00 0.00 C ATOM 204 C ASP A 16 16.267 0.238 -11.202 1.00 0.00 C ATOM 205 O ASP A 16 16.838 0.007 -10.137 1.00 0.00 O ATOM 206 CB ASP A 16 17.025 1.431 -13.234 1.00 0.00 C ATOM 207 CG ASP A 16 17.804 2.526 -12.503 1.00 0.00 C ATOM 208 OD1 ASP A 16 18.465 2.179 -11.500 1.00 0.00 O ATOM 209 OD2 ASP A 16 17.722 3.685 -12.964 1.00 0.00 O ATOM 0 HA ASP A 16 18.029 -0.267 -12.371 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.454 1.303 -14.228 1.00 0.00 H new ATOM 0 HB3 ASP A 16 15.997 1.767 -13.371 1.00 0.00 H new ATOM 214 N VAL A 17 15.008 0.637 -11.307 1.00 0.00 N ATOM 215 CA VAL A 17 14.185 0.836 -10.126 1.00 0.00 C ATOM 216 C VAL A 17 14.263 -0.408 -9.239 1.00 0.00 C ATOM 217 O VAL A 17 14.722 -1.461 -9.680 1.00 0.00 O ATOM 218 CB VAL A 17 12.754 1.188 -10.538 1.00 0.00 C ATOM 219 CG1 VAL A 17 12.626 2.679 -10.855 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.299 0.334 -11.723 1.00 0.00 C ATOM 0 H VAL A 17 14.538 0.828 -12.192 1.00 0.00 H new ATOM 0 HA VAL A 17 14.556 1.677 -9.540 1.00 0.00 H new ATOM 0 HB VAL A 17 12.099 0.967 -9.695 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.599 2.902 -11.145 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.889 3.262 -9.973 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.298 2.936 -11.674 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.279 0.604 -11.996 1.00 0.00 H new ATOM 0 HG22 VAL A 17 12.960 0.508 -12.572 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.334 -0.720 -11.447 1.00 0.00 H new ATOM 230 N PRO A 18 13.795 -0.242 -7.973 1.00 0.00 N ATOM 231 CA PRO A 18 13.807 -1.340 -7.021 1.00 0.00 C ATOM 232 C PRO A 18 12.701 -2.350 -7.334 1.00 0.00 C ATOM 233 O PRO A 18 11.919 -2.151 -8.262 1.00 0.00 O ATOM 234 CB PRO A 18 13.643 -0.682 -5.660 1.00 0.00 C ATOM 235 CG PRO A 18 13.081 0.704 -5.933 1.00 0.00 C ATOM 236 CD PRO A 18 13.244 0.990 -7.416 1.00 0.00 C ATOM 0 HA PRO A 18 14.729 -1.920 -7.060 1.00 0.00 H new ATOM 0 HB2 PRO A 18 12.970 -1.259 -5.026 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.598 -0.621 -5.138 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.030 0.752 -5.648 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.607 1.452 -5.340 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.289 1.241 -7.878 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.912 1.835 -7.585 1.00 0.00 H new ATOM 244 N GLY A 19 12.672 -3.411 -6.542 1.00 0.00 N ATOM 245 CA GLY A 19 11.675 -4.453 -6.723 1.00 0.00 C ATOM 246 C GLY A 19 10.573 -4.346 -5.667 1.00 0.00 C ATOM 247 O GLY A 19 10.343 -3.274 -5.110 1.00 0.00 O ATOM 0 H GLY A 19 13.323 -3.572 -5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.238 -4.375 -7.719 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.151 -5.432 -6.660 1.00 0.00 H new ATOM 251 N PRO A 20 9.903 -5.503 -5.416 1.00 0.00 N ATOM 252 CA PRO A 20 8.831 -5.550 -4.437 1.00 0.00 C ATOM 253 C PRO A 20 9.388 -5.524 -3.012 1.00 0.00 C ATOM 254 O PRO A 20 10.396 -6.167 -2.724 1.00 0.00 O ATOM 255 CB PRO A 20 8.066 -6.825 -4.752 1.00 0.00 C ATOM 256 CG PRO A 20 9.005 -7.678 -5.589 1.00 0.00 C ATOM 257 CD PRO A 20 10.148 -6.792 -6.056 1.00 0.00 C ATOM 0 HA PRO A 20 8.173 -4.683 -4.492 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.778 -7.344 -3.838 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.148 -6.605 -5.297 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.385 -8.515 -5.003 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.477 -8.101 -6.443 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.114 -7.203 -5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.159 -6.699 -7.142 1.00 0.00 H new ATOM 265 N VAL A 21 8.707 -4.773 -2.159 1.00 0.00 N ATOM 266 CA VAL A 21 9.121 -4.654 -0.771 1.00 0.00 C ATOM 267 C VAL A 21 9.111 -6.039 -0.120 1.00 0.00 C ATOM 268 O VAL A 21 8.931 -7.047 -0.801 1.00 0.00 O ATOM 269 CB VAL A 21 8.230 -3.645 -0.043 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.631 -2.210 -0.390 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.753 -3.893 -0.356 1.00 0.00 C ATOM 0 H VAL A 21 7.871 -4.241 -2.402 1.00 0.00 H new ATOM 0 HA VAL A 21 10.140 -4.272 -0.708 1.00 0.00 H new ATOM 0 HB VAL A 21 8.373 -3.783 1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.982 -1.513 0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.666 -2.040 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.531 -2.054 -1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.141 -3.163 0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.587 -3.796 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.477 -4.898 -0.036 1.00 0.00 H new ATOM 281 N GLY A 22 9.308 -6.043 1.190 1.00 0.00 N ATOM 282 CA GLY A 22 9.324 -7.287 1.941 1.00 0.00 C ATOM 283 C GLY A 22 8.032 -8.076 1.721 1.00 0.00 C ATOM 284 O GLY A 22 7.887 -8.769 0.715 1.00 0.00 O ATOM 0 H GLY A 22 9.458 -5.204 1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.179 -7.890 1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.448 -7.074 3.003 1.00 0.00 H new ATOM 288 N HIS A 23 7.126 -7.945 2.679 1.00 0.00 N ATOM 289 CA HIS A 23 5.850 -8.637 2.603 1.00 0.00 C ATOM 290 C HIS A 23 4.739 -7.726 3.127 1.00 0.00 C ATOM 291 O HIS A 23 4.786 -7.280 4.273 1.00 0.00 O ATOM 292 CB HIS A 23 5.915 -9.977 3.339 1.00 0.00 C ATOM 293 CG HIS A 23 5.496 -9.903 4.788 1.00 0.00 C ATOM 294 ND1 HIS A 23 4.267 -10.353 5.237 1.00 0.00 N ATOM 295 CD2 HIS A 23 6.155 -9.427 5.883 1.00 0.00 C ATOM 296 CE1 HIS A 23 4.200 -10.152 6.545 1.00 0.00 C ATOM 297 NE2 HIS A 23 5.371 -9.577 6.943 1.00 0.00 N ATOM 0 H HIS A 23 7.250 -7.370 3.512 1.00 0.00 H new ATOM 0 HA HIS A 23 5.620 -8.870 1.563 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.277 -10.694 2.823 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.934 -10.360 3.285 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.147 -9.000 5.887 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.365 -10.400 7.184 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.605 -9.307 7.898 1.00 0.00 H new ATOM 305 N LEU A 24 3.766 -7.475 2.264 1.00 0.00 N ATOM 306 CA LEU A 24 2.645 -6.625 2.625 1.00 0.00 C ATOM 307 C LEU A 24 1.969 -7.185 3.878 1.00 0.00 C ATOM 308 O LEU A 24 1.723 -8.387 3.970 1.00 0.00 O ATOM 309 CB LEU A 24 1.696 -6.456 1.437 1.00 0.00 C ATOM 310 CG LEU A 24 1.669 -5.068 0.793 1.00 0.00 C ATOM 311 CD1 LEU A 24 0.840 -4.091 1.630 1.00 0.00 C ATOM 312 CD2 LEU A 24 3.087 -4.550 0.546 1.00 0.00 C ATOM 0 H LEU A 24 3.731 -7.846 1.315 1.00 0.00 H new ATOM 0 HA LEU A 24 2.992 -5.621 2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.969 -7.184 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.686 -6.702 1.766 1.00 0.00 H new ATOM 0 HG LEU A 24 1.183 -5.152 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.837 -3.112 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.183 -4.458 1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.275 -4.005 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.039 -3.562 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.621 -4.485 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.613 -5.234 -0.120 1.00 0.00 H new ATOM 324 N SER A 25 1.686 -6.288 4.811 1.00 0.00 N ATOM 325 CA SER A 25 1.043 -6.678 6.054 1.00 0.00 C ATOM 326 C SER A 25 0.076 -5.583 6.508 1.00 0.00 C ATOM 327 O SER A 25 0.158 -4.446 6.047 1.00 0.00 O ATOM 328 CB SER A 25 2.078 -6.958 7.146 1.00 0.00 C ATOM 329 OG SER A 25 1.665 -8.008 8.016 1.00 0.00 O ATOM 0 H SER A 25 1.890 -5.292 4.731 1.00 0.00 H new ATOM 0 HA SER A 25 0.485 -7.597 5.877 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.029 -7.223 6.685 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.247 -6.051 7.727 1.00 0.00 H new ATOM 0 HG SER A 25 2.353 -8.158 8.698 1.00 0.00 H new ATOM 335 N PHE A 26 -0.819 -5.965 7.408 1.00 0.00 N ATOM 336 CA PHE A 26 -1.801 -5.030 7.930 1.00 0.00 C ATOM 337 C PHE A 26 -2.152 -5.357 9.383 1.00 0.00 C ATOM 338 O PHE A 26 -2.025 -6.502 9.813 1.00 0.00 O ATOM 339 CB PHE A 26 -3.058 -5.174 7.069 1.00 0.00 C ATOM 340 CG PHE A 26 -2.820 -4.940 5.576 1.00 0.00 C ATOM 341 CD1 PHE A 26 -2.743 -3.671 5.091 1.00 0.00 C ATOM 342 CD2 PHE A 26 -2.686 -5.999 4.734 1.00 0.00 C ATOM 343 CE1 PHE A 26 -2.522 -3.454 3.705 1.00 0.00 C ATOM 344 CE2 PHE A 26 -2.465 -5.781 3.348 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.388 -4.513 2.863 1.00 0.00 C ATOM 0 H PHE A 26 -0.884 -6.909 7.789 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.402 -4.016 7.900 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.469 -6.174 7.209 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.810 -4.468 7.421 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.850 -2.830 5.759 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.748 -7.006 5.119 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.460 -2.447 3.320 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.358 -6.622 2.679 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.220 -4.347 1.809 1.00 0.00 H new ATOM 355 N SER A 27 -2.587 -4.330 10.099 1.00 0.00 N ATOM 356 CA SER A 27 -2.957 -4.494 11.494 1.00 0.00 C ATOM 357 C SER A 27 -3.921 -3.383 11.914 1.00 0.00 C ATOM 358 O SER A 27 -3.875 -2.279 11.373 1.00 0.00 O ATOM 359 CB SER A 27 -1.721 -4.493 12.395 1.00 0.00 C ATOM 360 OG SER A 27 -0.923 -5.659 12.210 1.00 0.00 O ATOM 0 H SER A 27 -2.691 -3.381 9.739 1.00 0.00 H new ATOM 0 HA SER A 27 -3.454 -5.458 11.605 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.121 -3.607 12.187 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.033 -4.429 13.438 1.00 0.00 H new ATOM 0 HG SER A 27 -1.247 -6.157 11.431 1.00 0.00 H new ATOM 366 N GLU A 28 -4.773 -3.713 12.874 1.00 0.00 N ATOM 367 CA GLU A 28 -5.746 -2.757 13.372 1.00 0.00 C ATOM 368 C GLU A 28 -6.742 -2.390 12.270 1.00 0.00 C ATOM 369 O GLU A 28 -6.979 -1.212 12.010 1.00 0.00 O ATOM 370 CB GLU A 28 -5.056 -1.509 13.925 1.00 0.00 C ATOM 371 CG GLU A 28 -4.381 -1.804 15.266 1.00 0.00 C ATOM 372 CD GLU A 28 -5.280 -1.393 16.434 1.00 0.00 C ATOM 373 OE1 GLU A 28 -6.199 -2.181 16.747 1.00 0.00 O ATOM 374 OE2 GLU A 28 -5.028 -0.301 16.987 1.00 0.00 O ATOM 0 H GLU A 28 -4.809 -4.630 13.320 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.295 -3.221 14.191 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.314 -1.153 13.211 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.787 -0.710 14.050 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.151 -2.867 15.336 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.433 -1.269 15.326 1.00 0.00 H new ATOM 381 N ILE A 29 -7.298 -3.422 11.651 1.00 0.00 N ATOM 382 CA ILE A 29 -8.263 -3.223 10.583 1.00 0.00 C ATOM 383 C ILE A 29 -9.646 -2.981 11.190 1.00 0.00 C ATOM 384 O ILE A 29 -10.043 -3.665 12.132 1.00 0.00 O ATOM 385 CB ILE A 29 -8.219 -4.392 9.597 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.776 -4.779 9.269 1.00 0.00 C ATOM 387 CG2 ILE A 29 -9.029 -4.077 8.338 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.686 -5.447 7.896 1.00 0.00 C ATOM 0 H ILE A 29 -7.098 -4.398 11.869 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.011 -2.336 10.001 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.684 -5.257 10.071 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.144 -3.891 9.287 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.395 -5.457 10.033 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.982 -4.924 7.653 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.067 -3.889 8.611 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.616 -3.193 7.851 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.649 -5.712 7.688 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.299 -6.348 7.889 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.045 -4.758 7.132 1.00 0.00 H new ATOM 400 N LEU A 30 -10.343 -2.006 10.625 1.00 0.00 N ATOM 401 CA LEU A 30 -11.674 -1.666 11.098 1.00 0.00 C ATOM 402 C LEU A 30 -12.694 -1.967 9.998 1.00 0.00 C ATOM 403 O LEU A 30 -12.782 -3.097 9.521 1.00 0.00 O ATOM 404 CB LEU A 30 -11.713 -0.219 11.594 1.00 0.00 C ATOM 405 CG LEU A 30 -10.890 0.083 12.848 1.00 0.00 C ATOM 406 CD1 LEU A 30 -11.281 -0.848 13.998 1.00 0.00 C ATOM 407 CD2 LEU A 30 -9.391 0.023 12.548 1.00 0.00 C ATOM 0 H LEU A 30 -10.011 -1.441 9.844 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.941 -2.281 11.958 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.364 0.429 10.790 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.751 0.048 11.792 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.115 1.101 13.166 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.681 -0.612 14.877 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.337 -0.713 14.232 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.104 -1.883 13.705 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.829 0.241 13.456 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.131 -0.974 12.191 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.143 0.758 11.782 1.00 0.00 H new ATOM 419 N ASP A 31 -13.439 -0.935 9.629 1.00 0.00 N ATOM 420 CA ASP A 31 -14.450 -1.075 8.594 1.00 0.00 C ATOM 421 C ASP A 31 -14.008 -0.305 7.348 1.00 0.00 C ATOM 422 O ASP A 31 -14.327 -0.696 6.227 1.00 0.00 O ATOM 423 CB ASP A 31 -15.792 -0.501 9.054 1.00 0.00 C ATOM 424 CG ASP A 31 -15.692 0.684 10.016 1.00 0.00 C ATOM 425 OD1 ASP A 31 -15.315 0.438 11.182 1.00 0.00 O ATOM 426 OD2 ASP A 31 -15.996 1.810 9.565 1.00 0.00 O ATOM 0 H ASP A 31 -13.363 0.001 10.028 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.567 -2.137 8.378 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.357 -0.190 8.176 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.363 -1.294 9.536 1.00 0.00 H new ATOM 431 N THR A 32 -13.280 0.776 7.587 1.00 0.00 N ATOM 432 CA THR A 32 -12.791 1.605 6.498 1.00 0.00 C ATOM 433 C THR A 32 -11.423 2.193 6.849 1.00 0.00 C ATOM 434 O THR A 32 -10.996 3.179 6.251 1.00 0.00 O ATOM 435 CB THR A 32 -13.851 2.667 6.199 1.00 0.00 C ATOM 436 OG1 THR A 32 -13.800 3.536 7.328 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.272 2.101 6.229 1.00 0.00 C ATOM 0 H THR A 32 -13.017 1.097 8.519 1.00 0.00 H new ATOM 0 HA THR A 32 -12.635 1.018 5.593 1.00 0.00 H new ATOM 0 HB THR A 32 -13.657 3.108 5.221 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.455 4.256 7.216 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.985 2.896 6.010 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.366 1.314 5.481 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.479 1.690 7.217 1.00 0.00 H new ATOM 445 N SER A 33 -10.774 1.564 7.817 1.00 0.00 N ATOM 446 CA SER A 33 -9.463 2.012 8.255 1.00 0.00 C ATOM 447 C SER A 33 -8.592 0.808 8.618 1.00 0.00 C ATOM 448 O SER A 33 -9.035 -0.089 9.333 1.00 0.00 O ATOM 449 CB SER A 33 -9.577 2.965 9.447 1.00 0.00 C ATOM 450 OG SER A 33 -10.547 2.523 10.393 1.00 0.00 O ATOM 0 H SER A 33 -11.132 0.747 8.311 1.00 0.00 H new ATOM 0 HA SER A 33 -8.995 2.555 7.434 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.607 3.051 9.936 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.845 3.960 9.091 1.00 0.00 H new ATOM 0 HG SER A 33 -10.589 3.157 11.139 1.00 0.00 H new ATOM 456 N LEU A 34 -7.369 0.828 8.109 1.00 0.00 N ATOM 457 CA LEU A 34 -6.432 -0.251 8.371 1.00 0.00 C ATOM 458 C LEU A 34 -5.006 0.248 8.129 1.00 0.00 C ATOM 459 O LEU A 34 -4.768 1.042 7.221 1.00 0.00 O ATOM 460 CB LEU A 34 -6.798 -1.489 7.551 1.00 0.00 C ATOM 461 CG LEU A 34 -6.387 -1.463 6.077 1.00 0.00 C ATOM 462 CD1 LEU A 34 -4.868 -1.563 5.929 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.113 -2.553 5.286 1.00 0.00 C ATOM 0 H LEU A 34 -7.005 1.574 7.517 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.489 -0.560 9.415 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.340 -2.360 8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.878 -1.630 7.604 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.689 -0.504 5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.603 -1.542 4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.397 -0.722 6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.520 -2.496 6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.803 -2.512 4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.865 -3.530 5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.189 -2.394 5.351 1.00 0.00 H new ATOM 475 N LYS A 35 -4.094 -0.239 8.958 1.00 0.00 N ATOM 476 CA LYS A 35 -2.698 0.147 8.845 1.00 0.00 C ATOM 477 C LYS A 35 -1.922 -0.962 8.131 1.00 0.00 C ATOM 478 O LYS A 35 -2.150 -2.144 8.384 1.00 0.00 O ATOM 479 CB LYS A 35 -2.130 0.509 10.219 1.00 0.00 C ATOM 480 CG LYS A 35 -1.080 1.617 10.103 1.00 0.00 C ATOM 481 CD LYS A 35 0.330 1.029 10.021 1.00 0.00 C ATOM 482 CE LYS A 35 0.899 0.772 11.417 1.00 0.00 C ATOM 483 NZ LYS A 35 0.896 2.019 12.216 1.00 0.00 N ATOM 0 H LYS A 35 -4.295 -0.897 9.711 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.599 1.047 8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.937 0.835 10.876 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.683 -0.374 10.676 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.279 2.220 9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.151 2.282 10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.307 0.097 9.457 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.982 1.714 9.479 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.308 0.008 11.922 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.916 0.387 11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.618 1.955 12.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.108 2.828 11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.040 2.151 12.650 1.00 0.00 H new ATOM 497 N VAL A 36 -1.023 -0.541 7.255 1.00 0.00 N ATOM 498 CA VAL A 36 -0.212 -1.484 6.503 1.00 0.00 C ATOM 499 C VAL A 36 1.247 -1.366 6.950 1.00 0.00 C ATOM 500 O VAL A 36 1.642 -0.356 7.530 1.00 0.00 O ATOM 501 CB VAL A 36 -0.398 -1.254 5.002 1.00 0.00 C ATOM 502 CG1 VAL A 36 -1.116 0.071 4.735 1.00 0.00 C ATOM 503 CG2 VAL A 36 0.944 -1.308 4.269 1.00 0.00 C ATOM 0 H VAL A 36 -0.838 0.441 7.049 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.531 -2.507 6.703 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.024 -2.058 4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.235 0.210 3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.097 0.056 5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.528 0.892 5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.784 -1.142 3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.604 -0.535 4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.401 -2.286 4.419 1.00 0.00 H new ATOM 513 N SER A 37 2.007 -2.413 6.663 1.00 0.00 N ATOM 514 CA SER A 37 3.413 -2.439 7.028 1.00 0.00 C ATOM 515 C SER A 37 4.186 -3.343 6.066 1.00 0.00 C ATOM 516 O SER A 37 3.755 -4.457 5.774 1.00 0.00 O ATOM 517 CB SER A 37 3.599 -2.915 8.470 1.00 0.00 C ATOM 518 OG SER A 37 4.166 -4.221 8.531 1.00 0.00 O ATOM 0 H SER A 37 1.676 -3.249 6.182 1.00 0.00 H new ATOM 0 HA SER A 37 3.804 -1.424 6.956 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.242 -2.215 9.003 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.635 -2.914 8.980 1.00 0.00 H new ATOM 0 HG SER A 37 4.271 -4.489 9.468 1.00 0.00 H new ATOM 524 N TRP A 38 5.315 -2.829 5.600 1.00 0.00 N ATOM 525 CA TRP A 38 6.153 -3.577 4.678 1.00 0.00 C ATOM 526 C TRP A 38 7.603 -3.450 5.148 1.00 0.00 C ATOM 527 O TRP A 38 7.890 -2.730 6.103 1.00 0.00 O ATOM 528 CB TRP A 38 5.947 -3.097 3.239 1.00 0.00 C ATOM 529 CG TRP A 38 6.174 -1.597 3.044 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.335 -0.958 2.843 1.00 0.00 C ATOM 531 CD2 TRP A 38 5.163 -0.567 3.041 1.00 0.00 C ATOM 532 NE1 TRP A 38 7.147 0.403 2.710 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.784 0.648 2.834 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.770 -0.660 3.206 1.00 0.00 C ATOM 535 CZ2 TRP A 38 5.090 1.862 2.774 1.00 0.00 C ATOM 536 CZ3 TRP A 38 3.091 0.563 3.144 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.701 1.795 2.937 1.00 0.00 C ATOM 0 H TRP A 38 5.669 -1.904 5.844 1.00 0.00 H new ATOM 0 HA TRP A 38 5.879 -4.632 4.676 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.625 -3.645 2.584 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.932 -3.344 2.926 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.297 -1.447 2.792 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.874 1.100 2.550 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.264 -1.600 3.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.599 2.801 2.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 2.018 0.548 3.266 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.106 2.696 2.902 1.00 0.00 H new ATOM 548 N GLN A 39 8.480 -4.162 4.455 1.00 0.00 N ATOM 549 CA GLN A 39 9.894 -4.139 4.790 1.00 0.00 C ATOM 550 C GLN A 39 10.710 -3.600 3.613 1.00 0.00 C ATOM 551 O GLN A 39 10.158 -3.308 2.553 1.00 0.00 O ATOM 552 CB GLN A 39 10.382 -5.528 5.204 1.00 0.00 C ATOM 553 CG GLN A 39 10.475 -5.646 6.727 1.00 0.00 C ATOM 554 CD GLN A 39 11.504 -6.702 7.134 1.00 0.00 C ATOM 555 OE1 GLN A 39 11.702 -7.703 6.465 1.00 0.00 O ATOM 556 NE2 GLN A 39 12.146 -6.425 8.265 1.00 0.00 N ATOM 0 H GLN A 39 8.239 -4.758 3.663 1.00 0.00 H new ATOM 0 HA GLN A 39 10.035 -3.472 5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.701 -6.286 4.818 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.359 -5.721 4.761 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.750 -4.682 7.154 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.499 -5.908 7.135 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.932 -5.569 8.776 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.853 -7.069 8.621 1.00 0.00 H new ATOM 565 N GLU A 40 12.010 -3.483 3.839 1.00 0.00 N ATOM 566 CA GLU A 40 12.907 -2.984 2.810 1.00 0.00 C ATOM 567 C GLU A 40 13.239 -4.095 1.811 1.00 0.00 C ATOM 568 O GLU A 40 13.592 -5.205 2.206 1.00 0.00 O ATOM 569 CB GLU A 40 14.180 -2.403 3.428 1.00 0.00 C ATOM 570 CG GLU A 40 14.274 -0.897 3.174 1.00 0.00 C ATOM 571 CD GLU A 40 15.317 -0.252 4.089 1.00 0.00 C ATOM 572 OE1 GLU A 40 15.878 -0.995 4.923 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.530 0.970 3.934 1.00 0.00 O ATOM 0 H GLU A 40 12.464 -3.725 4.720 1.00 0.00 H new ATOM 0 HA GLU A 40 12.403 -2.180 2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.189 -2.596 4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.053 -2.902 3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.537 -0.716 2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.301 -0.435 3.342 1.00 0.00 H new ATOM 580 N PRO A 41 13.111 -3.748 0.502 1.00 0.00 N ATOM 581 CA PRO A 41 13.393 -4.702 -0.556 1.00 0.00 C ATOM 582 C PRO A 41 14.900 -4.907 -0.722 1.00 0.00 C ATOM 583 O PRO A 41 15.687 -4.002 -0.446 1.00 0.00 O ATOM 584 CB PRO A 41 12.732 -4.122 -1.796 1.00 0.00 C ATOM 585 CG PRO A 41 12.505 -2.649 -1.496 1.00 0.00 C ATOM 586 CD PRO A 41 12.695 -2.443 -0.003 1.00 0.00 C ATOM 0 HA PRO A 41 13.002 -5.696 -0.341 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.367 -4.249 -2.673 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.790 -4.627 -2.009 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.206 -2.032 -2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.502 -2.348 -1.798 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.449 -1.682 0.199 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.772 -2.111 0.471 1.00 0.00 H new ATOM 594 N GLY A 42 15.258 -6.101 -1.172 1.00 0.00 N ATOM 595 CA GLY A 42 16.656 -6.435 -1.378 1.00 0.00 C ATOM 596 C GLY A 42 17.179 -5.828 -2.682 1.00 0.00 C ATOM 597 O GLY A 42 18.388 -5.731 -2.884 1.00 0.00 O ATOM 0 H GLY A 42 14.603 -6.849 -1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.248 -6.069 -0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.775 -7.518 -1.404 1.00 0.00 H new ATOM 601 N GLU A 43 16.242 -5.435 -3.532 1.00 0.00 N ATOM 602 CA GLU A 43 16.593 -4.840 -4.810 1.00 0.00 C ATOM 603 C GLU A 43 16.587 -3.314 -4.704 1.00 0.00 C ATOM 604 O GLU A 43 16.196 -2.624 -5.645 1.00 0.00 O ATOM 605 CB GLU A 43 15.647 -5.317 -5.914 1.00 0.00 C ATOM 606 CG GLU A 43 16.112 -6.653 -6.495 1.00 0.00 C ATOM 607 CD GLU A 43 17.423 -6.489 -7.267 1.00 0.00 C ATOM 608 OE1 GLU A 43 17.354 -5.957 -8.396 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.464 -6.900 -6.711 1.00 0.00 O ATOM 0 H GLU A 43 15.240 -5.517 -3.361 1.00 0.00 H new ATOM 0 HA GLU A 43 17.600 -5.162 -5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.639 -5.422 -5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.600 -4.569 -6.705 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.248 -7.376 -5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.344 -7.053 -7.157 1.00 0.00 H new ATOM 616 N LYS A 44 17.026 -2.831 -3.551 1.00 0.00 N ATOM 617 CA LYS A 44 17.077 -1.399 -3.310 1.00 0.00 C ATOM 618 C LYS A 44 17.556 -0.689 -4.579 1.00 0.00 C ATOM 619 O LYS A 44 17.116 0.420 -4.877 1.00 0.00 O ATOM 620 CB LYS A 44 17.927 -1.093 -2.076 1.00 0.00 C ATOM 621 CG LYS A 44 17.307 -1.704 -0.818 1.00 0.00 C ATOM 622 CD LYS A 44 17.850 -1.029 0.444 1.00 0.00 C ATOM 623 CE LYS A 44 16.974 -1.350 1.657 1.00 0.00 C ATOM 624 NZ LYS A 44 17.778 -1.990 2.722 1.00 0.00 N ATOM 0 H LYS A 44 17.350 -3.406 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 44 16.082 -1.015 -3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 44 18.934 -1.486 -2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.020 -0.014 -1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.223 -1.597 -0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.521 -2.772 -0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.871 -1.363 0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.890 0.050 0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.519 -0.435 2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.160 -2.012 1.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.293 -1.881 3.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.893 -3.002 2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.713 -1.538 2.770 1.00 0.00 H new ATOM 638 N ASN A 45 18.451 -1.359 -5.291 1.00 0.00 N ATOM 639 CA ASN A 45 18.994 -0.806 -6.520 1.00 0.00 C ATOM 640 C ASN A 45 19.252 0.690 -6.331 1.00 0.00 C ATOM 641 O ASN A 45 18.799 1.507 -7.131 1.00 0.00 O ATOM 642 CB ASN A 45 18.012 -0.974 -7.681 1.00 0.00 C ATOM 643 CG ASN A 45 18.267 -2.284 -8.430 1.00 0.00 C ATOM 644 OD1 ASN A 45 19.083 -2.364 -9.332 1.00 0.00 O ATOM 645 ND2 ASN A 45 17.525 -3.303 -8.005 1.00 0.00 N ATOM 0 H ASN A 45 18.813 -2.279 -5.040 1.00 0.00 H new ATOM 0 HA ASN A 45 19.918 -1.338 -6.750 1.00 0.00 H new ATOM 0 HB2 ASN A 45 16.990 -0.960 -7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.108 -0.133 -8.368 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.621 -4.220 -8.440 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.860 -3.167 -7.244 1.00 0.00 H new ATOM 652 N GLY A 46 19.978 1.004 -5.268 1.00 0.00 N ATOM 653 CA GLY A 46 20.301 2.387 -4.965 1.00 0.00 C ATOM 654 C GLY A 46 19.780 2.781 -3.581 1.00 0.00 C ATOM 655 O GLY A 46 19.581 1.924 -2.721 1.00 0.00 O ATOM 0 H GLY A 46 20.352 0.324 -4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.381 2.529 -5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 46 19.865 3.040 -5.721 1.00 0.00 H new ATOM 659 N ILE A 47 19.573 4.078 -3.409 1.00 0.00 N ATOM 660 CA ILE A 47 19.079 4.596 -2.144 1.00 0.00 C ATOM 661 C ILE A 47 17.595 4.942 -2.285 1.00 0.00 C ATOM 662 O ILE A 47 17.233 5.852 -3.029 1.00 0.00 O ATOM 663 CB ILE A 47 19.941 5.768 -1.672 1.00 0.00 C ATOM 664 CG1 ILE A 47 21.277 5.276 -1.112 1.00 0.00 C ATOM 665 CG2 ILE A 47 19.183 6.636 -0.665 1.00 0.00 C ATOM 666 CD1 ILE A 47 21.060 4.230 -0.016 1.00 0.00 C ATOM 0 H ILE A 47 19.738 4.786 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 47 19.158 3.838 -1.365 1.00 0.00 H new ATOM 0 HB ILE A 47 20.165 6.396 -2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.876 4.847 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 47 21.839 6.119 -0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.819 7.462 -0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.281 7.032 -1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.909 6.033 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.025 3.897 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.481 4.669 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.519 3.378 -0.428 1.00 0.00 H new ATOM 678 N LEU A 48 16.775 4.196 -1.558 1.00 0.00 N ATOM 679 CA LEU A 48 15.339 4.412 -1.592 1.00 0.00 C ATOM 680 C LEU A 48 15.032 5.843 -1.145 1.00 0.00 C ATOM 681 O LEU A 48 15.493 6.280 -0.092 1.00 0.00 O ATOM 682 CB LEU A 48 14.616 3.343 -0.771 1.00 0.00 C ATOM 683 CG LEU A 48 14.976 1.891 -1.095 1.00 0.00 C ATOM 684 CD1 LEU A 48 14.426 0.939 -0.031 1.00 0.00 C ATOM 685 CD2 LEU A 48 14.507 1.511 -2.501 1.00 0.00 C ATOM 0 H LEU A 48 17.078 3.442 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 48 14.963 4.308 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.824 3.521 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.542 3.470 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 48 16.062 1.797 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.696 -0.086 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.849 1.195 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.341 1.029 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.775 0.475 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.425 1.626 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.986 2.161 -3.233 1.00 0.00 H new ATOM 697 N THR A 49 14.255 6.532 -1.967 1.00 0.00 N ATOM 698 CA THR A 49 13.881 7.904 -1.670 1.00 0.00 C ATOM 699 C THR A 49 12.535 7.944 -0.943 1.00 0.00 C ATOM 700 O THR A 49 12.206 8.935 -0.292 1.00 0.00 O ATOM 701 CB THR A 49 13.887 8.691 -2.982 1.00 0.00 C ATOM 702 OG1 THR A 49 13.049 7.930 -3.847 1.00 0.00 O ATOM 703 CG2 THR A 49 15.252 8.669 -3.671 1.00 0.00 C ATOM 0 H THR A 49 13.874 6.166 -2.839 1.00 0.00 H new ATOM 0 HA THR A 49 14.595 8.371 -0.992 1.00 0.00 H new ATOM 0 HB THR A 49 13.595 9.723 -2.788 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.476 7.846 -4.725 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.201 9.242 -4.597 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.000 9.110 -3.012 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.529 7.639 -3.896 1.00 0.00 H new ATOM 711 N GLY A 50 11.792 6.855 -1.079 1.00 0.00 N ATOM 712 CA GLY A 50 10.490 6.753 -0.444 1.00 0.00 C ATOM 713 C GLY A 50 9.665 5.622 -1.062 1.00 0.00 C ATOM 714 O GLY A 50 10.081 5.012 -2.046 1.00 0.00 O ATOM 0 H GLY A 50 12.068 6.036 -1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.615 6.575 0.624 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.955 7.697 -0.549 1.00 0.00 H new ATOM 718 N TYR A 51 8.511 5.376 -0.458 1.00 0.00 N ATOM 719 CA TYR A 51 7.625 4.329 -0.937 1.00 0.00 C ATOM 720 C TYR A 51 6.262 4.902 -1.329 1.00 0.00 C ATOM 721 O TYR A 51 5.809 5.889 -0.751 1.00 0.00 O ATOM 722 CB TYR A 51 7.441 3.364 0.236 1.00 0.00 C ATOM 723 CG TYR A 51 8.731 2.674 0.683 1.00 0.00 C ATOM 724 CD1 TYR A 51 9.234 1.614 -0.045 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.393 3.111 1.812 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.449 0.964 0.376 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.607 2.462 2.232 1.00 0.00 C ATOM 728 CZ TYR A 51 11.075 1.420 1.493 1.00 0.00 C ATOM 729 OH TYR A 51 12.223 0.807 1.890 1.00 0.00 O ATOM 0 H TYR A 51 8.170 5.884 0.358 1.00 0.00 H new ATOM 0 HA TYR A 51 8.046 3.842 -1.817 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.022 3.911 1.081 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.712 2.603 -0.044 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.717 1.272 -0.930 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.000 3.941 2.381 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.853 0.133 -0.183 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.134 2.795 3.114 1.00 0.00 H new ATOM 0 HH TYR A 51 12.312 -0.052 1.427 1.00 0.00 H new ATOM 739 N ARG A 52 5.645 4.258 -2.309 1.00 0.00 N ATOM 740 CA ARG A 52 4.343 4.690 -2.786 1.00 0.00 C ATOM 741 C ARG A 52 3.272 3.664 -2.410 1.00 0.00 C ATOM 742 O ARG A 52 3.373 2.494 -2.776 1.00 0.00 O ATOM 743 CB ARG A 52 4.347 4.880 -4.304 1.00 0.00 C ATOM 744 CG ARG A 52 2.942 5.195 -4.821 1.00 0.00 C ATOM 745 CD ARG A 52 2.999 6.126 -6.034 1.00 0.00 C ATOM 746 NE ARG A 52 2.628 5.385 -7.260 1.00 0.00 N ATOM 747 CZ ARG A 52 2.846 5.834 -8.503 1.00 0.00 C ATOM 748 NH1 ARG A 52 3.435 7.022 -8.694 1.00 0.00 N ATOM 749 NH2 ARG A 52 2.475 5.093 -9.557 1.00 0.00 N ATOM 0 H ARG A 52 6.023 3.440 -2.786 1.00 0.00 H new ATOM 0 HA ARG A 52 4.118 5.646 -2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.026 5.689 -4.571 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.722 3.977 -4.786 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.435 4.269 -5.092 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.355 5.660 -4.029 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.321 6.967 -5.889 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.002 6.539 -6.139 1.00 0.00 H new ATOM 0 HE ARG A 52 2.178 4.476 -7.152 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.718 7.586 -7.892 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.600 7.363 -9.641 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.027 4.188 -9.412 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.641 5.434 -10.504 1.00 0.00 H new ATOM 763 N ILE A 53 2.271 4.140 -1.684 1.00 0.00 N ATOM 764 CA ILE A 53 1.182 3.278 -1.255 1.00 0.00 C ATOM 765 C ILE A 53 -0.093 3.661 -2.008 1.00 0.00 C ATOM 766 O ILE A 53 -0.335 4.838 -2.268 1.00 0.00 O ATOM 767 CB ILE A 53 1.034 3.321 0.267 1.00 0.00 C ATOM 768 CG1 ILE A 53 -0.013 2.313 0.745 1.00 0.00 C ATOM 769 CG2 ILE A 53 0.723 4.740 0.748 1.00 0.00 C ATOM 770 CD1 ILE A 53 0.221 1.931 2.208 1.00 0.00 C ATOM 0 H ILE A 53 2.191 5.111 -1.382 1.00 0.00 H new ATOM 0 HA ILE A 53 1.398 2.239 -1.502 1.00 0.00 H new ATOM 0 HB ILE A 53 1.987 3.031 0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.010 2.738 0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.026 1.420 0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.623 4.742 1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.533 5.409 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.209 5.081 0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.537 1.214 2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.210 1.484 2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.157 2.823 2.832 1.00 0.00 H new ATOM 782 N SER A 54 -0.875 2.643 -2.339 1.00 0.00 N ATOM 783 CA SER A 54 -2.119 2.858 -3.057 1.00 0.00 C ATOM 784 C SER A 54 -3.116 1.747 -2.721 1.00 0.00 C ATOM 785 O SER A 54 -2.864 0.576 -3.002 1.00 0.00 O ATOM 786 CB SER A 54 -1.880 2.917 -4.567 1.00 0.00 C ATOM 787 OG SER A 54 -0.721 2.183 -4.953 1.00 0.00 O ATOM 0 H SER A 54 -0.670 1.667 -2.123 1.00 0.00 H new ATOM 0 HA SER A 54 -2.533 3.816 -2.744 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.751 2.519 -5.088 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.771 3.956 -4.876 1.00 0.00 H new ATOM 0 HG SER A 54 -0.237 2.677 -5.647 1.00 0.00 H new ATOM 793 N TRP A 55 -4.227 2.154 -2.125 1.00 0.00 N ATOM 794 CA TRP A 55 -5.263 1.207 -1.747 1.00 0.00 C ATOM 795 C TRP A 55 -6.422 1.357 -2.735 1.00 0.00 C ATOM 796 O TRP A 55 -6.993 2.438 -2.868 1.00 0.00 O ATOM 797 CB TRP A 55 -5.688 1.411 -0.292 1.00 0.00 C ATOM 798 CG TRP A 55 -6.316 2.778 -0.012 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.575 3.171 -0.248 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.659 3.924 0.570 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.777 4.481 0.137 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.574 4.953 0.650 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.334 4.085 1.013 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -6.265 6.216 1.169 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -4.041 5.353 1.529 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.951 6.399 1.617 1.00 0.00 C ATOM 0 H TRP A 55 -4.433 3.126 -1.894 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.889 0.184 -1.800 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.401 0.633 -0.020 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.817 1.284 0.351 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -8.336 2.542 -0.685 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.648 5.006 0.059 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.601 3.294 0.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.000 7.006 1.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -3.036 5.531 1.884 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.646 7.350 2.029 1.00 0.00 H new ATOM 817 N GLU A 56 -6.735 0.255 -3.401 1.00 0.00 N ATOM 818 CA GLU A 56 -7.816 0.250 -4.372 1.00 0.00 C ATOM 819 C GLU A 56 -8.676 -1.004 -4.203 1.00 0.00 C ATOM 820 O GLU A 56 -8.152 -2.096 -3.985 1.00 0.00 O ATOM 821 CB GLU A 56 -7.272 0.352 -5.799 1.00 0.00 C ATOM 822 CG GLU A 56 -6.453 -0.887 -6.164 1.00 0.00 C ATOM 823 CD GLU A 56 -5.450 -0.574 -7.277 1.00 0.00 C ATOM 824 OE1 GLU A 56 -4.738 0.442 -7.129 1.00 0.00 O ATOM 825 OE2 GLU A 56 -5.420 -1.358 -8.250 1.00 0.00 O ATOM 0 H GLU A 56 -6.259 -0.640 -3.287 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.442 1.124 -4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.099 0.465 -6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.651 1.243 -5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.923 -1.249 -5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.120 -1.687 -6.485 1.00 0.00 H new ATOM 832 N GLU A 57 -9.982 -0.806 -4.308 1.00 0.00 N ATOM 833 CA GLU A 57 -10.919 -1.908 -4.169 1.00 0.00 C ATOM 834 C GLU A 57 -10.432 -3.123 -4.961 1.00 0.00 C ATOM 835 O GLU A 57 -9.491 -3.020 -5.746 1.00 0.00 O ATOM 836 CB GLU A 57 -12.323 -1.492 -4.613 1.00 0.00 C ATOM 837 CG GLU A 57 -13.181 -1.089 -3.411 1.00 0.00 C ATOM 838 CD GLU A 57 -14.159 -2.204 -3.037 1.00 0.00 C ATOM 839 OE1 GLU A 57 -13.706 -3.369 -3.007 1.00 0.00 O ATOM 840 OE2 GLU A 57 -15.336 -1.867 -2.789 1.00 0.00 O ATOM 0 H GLU A 57 -10.413 0.101 -4.488 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.972 -2.183 -3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.255 -0.658 -5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.799 -2.316 -5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.538 -0.864 -2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.733 -0.178 -3.643 1.00 0.00 H new ATOM 847 N TYR A 58 -11.094 -4.246 -4.727 1.00 0.00 N ATOM 848 CA TYR A 58 -10.740 -5.480 -5.408 1.00 0.00 C ATOM 849 C TYR A 58 -10.642 -5.263 -6.919 1.00 0.00 C ATOM 850 O TYR A 58 -9.575 -5.438 -7.507 1.00 0.00 O ATOM 851 CB TYR A 58 -11.877 -6.462 -5.119 1.00 0.00 C ATOM 852 CG TYR A 58 -11.812 -7.749 -5.944 1.00 0.00 C ATOM 853 CD1 TYR A 58 -10.680 -8.538 -5.903 1.00 0.00 C ATOM 854 CD2 TYR A 58 -12.884 -8.121 -6.728 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.619 -9.750 -6.679 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.823 -9.332 -7.505 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.693 -10.087 -7.442 1.00 0.00 C ATOM 858 OH TYR A 58 -11.635 -11.231 -8.175 1.00 0.00 O ATOM 0 H TYR A 58 -11.874 -4.328 -4.075 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.773 -5.846 -5.062 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.860 -6.720 -4.060 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.829 -5.967 -5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.840 -8.247 -5.289 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.770 -7.504 -6.759 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.740 -10.377 -6.655 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.655 -9.634 -8.124 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.473 -11.345 -8.670 1.00 0.00 H new ATOM 868 N ASN A 59 -11.768 -4.884 -7.505 1.00 0.00 N ATOM 869 CA ASN A 59 -11.822 -4.641 -8.937 1.00 0.00 C ATOM 870 C ASN A 59 -12.491 -3.289 -9.195 1.00 0.00 C ATOM 871 O ASN A 59 -13.564 -3.229 -9.794 1.00 0.00 O ATOM 872 CB ASN A 59 -12.643 -5.719 -9.647 1.00 0.00 C ATOM 873 CG ASN A 59 -12.412 -5.676 -11.159 1.00 0.00 C ATOM 874 OD1 ASN A 59 -11.741 -4.804 -11.686 1.00 0.00 O ATOM 875 ND2 ASN A 59 -13.003 -6.663 -11.825 1.00 0.00 N ATOM 0 H ASN A 59 -12.650 -4.739 -7.014 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.802 -4.654 -9.321 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.371 -6.702 -9.262 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.702 -5.575 -9.433 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.909 -6.722 -12.839 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.551 -7.361 -11.322 1.00 0.00 H new ATOM 882 N ARG A 60 -11.831 -2.239 -8.730 1.00 0.00 N ATOM 883 CA ARG A 60 -12.348 -0.893 -8.904 1.00 0.00 C ATOM 884 C ARG A 60 -11.213 0.128 -8.812 1.00 0.00 C ATOM 885 O ARG A 60 -10.606 0.293 -7.755 1.00 0.00 O ATOM 886 CB ARG A 60 -13.404 -0.568 -7.846 1.00 0.00 C ATOM 887 CG ARG A 60 -14.101 -1.840 -7.358 1.00 0.00 C ATOM 888 CD ARG A 60 -15.043 -1.536 -6.191 1.00 0.00 C ATOM 889 NE ARG A 60 -16.445 -1.789 -6.593 1.00 0.00 N ATOM 890 CZ ARG A 60 -16.995 -3.009 -6.671 1.00 0.00 C ATOM 891 NH1 ARG A 60 -16.265 -4.093 -6.376 1.00 0.00 N ATOM 892 NH2 ARG A 60 -18.275 -3.144 -7.045 1.00 0.00 N ATOM 0 H ARG A 60 -10.942 -2.293 -8.233 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.809 -0.840 -9.890 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.935 -0.060 -7.003 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.142 0.118 -8.262 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.664 -2.288 -8.177 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.355 -2.571 -7.047 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.784 -2.157 -5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.927 -0.498 -5.880 1.00 0.00 H new ATOM 0 HE ARG A 60 -17.029 -0.985 -6.825 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.291 -3.990 -6.092 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.683 -5.021 -6.435 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -18.830 -2.319 -7.270 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -18.694 -4.072 -7.104 1.00 0.00 H new ATOM 906 N THR A 61 -10.959 0.787 -9.933 1.00 0.00 N ATOM 907 CA THR A 61 -9.907 1.788 -9.992 1.00 0.00 C ATOM 908 C THR A 61 -10.435 3.145 -9.523 1.00 0.00 C ATOM 909 O THR A 61 -9.662 4.004 -9.102 1.00 0.00 O ATOM 910 CB THR A 61 -9.356 1.810 -11.419 1.00 0.00 C ATOM 911 OG1 THR A 61 -8.826 0.501 -11.607 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.141 2.729 -11.562 1.00 0.00 C ATOM 0 H THR A 61 -11.464 0.647 -10.808 1.00 0.00 H new ATOM 0 HA THR A 61 -9.088 1.542 -9.316 1.00 0.00 H new ATOM 0 HB THR A 61 -10.138 2.133 -12.106 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.449 0.427 -12.509 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.789 2.709 -12.593 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.422 3.748 -11.295 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.346 2.386 -10.900 1.00 0.00 H new ATOM 920 N ASN A 62 -11.749 3.296 -9.611 1.00 0.00 N ATOM 921 CA ASN A 62 -12.389 4.534 -9.200 1.00 0.00 C ATOM 922 C ASN A 62 -12.104 4.783 -7.718 1.00 0.00 C ATOM 923 O ASN A 62 -12.274 5.899 -7.229 1.00 0.00 O ATOM 924 CB ASN A 62 -13.906 4.456 -9.384 1.00 0.00 C ATOM 925 CG ASN A 62 -14.279 4.453 -10.867 1.00 0.00 C ATOM 926 OD1 ASN A 62 -14.130 5.436 -11.574 1.00 0.00 O ATOM 927 ND2 ASN A 62 -14.773 3.295 -11.298 1.00 0.00 N ATOM 0 H ASN A 62 -12.387 2.581 -9.961 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.992 5.340 -9.816 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.288 3.553 -8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.380 5.303 -8.888 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.053 3.191 -12.273 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.871 2.511 -10.653 1.00 0.00 H new ATOM 934 N THR A 63 -11.676 3.726 -7.044 1.00 0.00 N ATOM 935 CA THR A 63 -11.366 3.816 -5.628 1.00 0.00 C ATOM 936 C THR A 63 -9.859 3.680 -5.402 1.00 0.00 C ATOM 937 O THR A 63 -9.427 3.064 -4.429 1.00 0.00 O ATOM 938 CB THR A 63 -12.189 2.755 -4.895 1.00 0.00 C ATOM 939 OG1 THR A 63 -11.840 1.535 -5.544 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.690 2.897 -5.151 1.00 0.00 C ATOM 0 H THR A 63 -11.537 2.802 -7.453 1.00 0.00 H new ATOM 0 HA THR A 63 -11.636 4.792 -5.226 1.00 0.00 H new ATOM 0 HB THR A 63 -11.996 2.823 -3.824 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.966 1.633 -5.977 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.227 2.120 -4.607 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.026 3.876 -4.810 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.888 2.797 -6.218 1.00 0.00 H new ATOM 948 N ARG A 64 -9.101 4.265 -6.317 1.00 0.00 N ATOM 949 CA ARG A 64 -7.651 4.216 -6.230 1.00 0.00 C ATOM 950 C ARG A 64 -7.122 5.449 -5.493 1.00 0.00 C ATOM 951 O ARG A 64 -7.721 6.521 -5.559 1.00 0.00 O ATOM 952 CB ARG A 64 -7.018 4.151 -7.621 1.00 0.00 C ATOM 953 CG ARG A 64 -5.635 3.497 -7.564 1.00 0.00 C ATOM 954 CD ARG A 64 -4.530 4.554 -7.532 1.00 0.00 C ATOM 955 NE ARG A 64 -3.203 3.898 -7.506 1.00 0.00 N ATOM 956 CZ ARG A 64 -2.669 3.244 -8.547 1.00 0.00 C ATOM 957 NH1 ARG A 64 -3.344 3.155 -9.701 1.00 0.00 N ATOM 958 NH2 ARG A 64 -1.459 2.680 -8.433 1.00 0.00 N ATOM 0 H ARG A 64 -9.463 4.775 -7.122 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.382 3.315 -5.679 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.664 3.586 -8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.932 5.157 -8.033 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.564 2.865 -6.679 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.499 2.850 -8.430 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.608 5.200 -8.406 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.648 5.189 -6.654 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.662 3.947 -6.643 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.265 3.585 -9.788 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.937 2.657 -10.493 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.945 2.749 -7.555 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.052 2.182 -9.225 1.00 0.00 H new ATOM 972 N VAL A 65 -6.005 5.254 -4.808 1.00 0.00 N ATOM 973 CA VAL A 65 -5.388 6.337 -4.060 1.00 0.00 C ATOM 974 C VAL A 65 -3.900 6.409 -4.408 1.00 0.00 C ATOM 975 O VAL A 65 -3.330 5.443 -4.913 1.00 0.00 O ATOM 976 CB VAL A 65 -5.643 6.149 -2.563 1.00 0.00 C ATOM 977 CG1 VAL A 65 -5.072 7.319 -1.759 1.00 0.00 C ATOM 978 CG2 VAL A 65 -7.136 5.966 -2.280 1.00 0.00 C ATOM 0 H VAL A 65 -5.511 4.363 -4.755 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.833 7.293 -4.335 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.128 5.242 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.267 7.161 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.997 7.384 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.545 8.247 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.290 5.834 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.681 6.847 -2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.502 5.086 -2.810 1.00 0.00 H new ATOM 988 N THR A 66 -3.314 7.563 -4.124 1.00 0.00 N ATOM 989 CA THR A 66 -1.903 7.774 -4.402 1.00 0.00 C ATOM 990 C THR A 66 -1.243 8.538 -3.253 1.00 0.00 C ATOM 991 O THR A 66 -1.549 9.707 -3.023 1.00 0.00 O ATOM 992 CB THR A 66 -1.788 8.486 -5.751 1.00 0.00 C ATOM 993 OG1 THR A 66 -2.353 7.564 -6.679 1.00 0.00 O ATOM 994 CG2 THR A 66 -0.336 8.636 -6.211 1.00 0.00 C ATOM 0 H THR A 66 -3.790 8.361 -3.704 1.00 0.00 H new ATOM 0 HA THR A 66 -1.367 6.827 -4.472 1.00 0.00 H new ATOM 0 HB THR A 66 -2.251 9.470 -5.683 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.321 7.946 -7.581 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.310 9.147 -7.173 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.220 9.217 -5.476 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.117 7.650 -6.312 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.348 7.846 -2.561 1.00 0.00 N ATOM 1003 CA HIS A 67 0.358 8.445 -1.442 1.00 0.00 C ATOM 1004 C HIS A 67 1.859 8.185 -1.584 1.00 0.00 C ATOM 1005 O HIS A 67 2.266 7.186 -2.174 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.207 7.944 -0.112 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.348 8.776 0.424 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -2.534 8.405 0.986 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 -1.337 10.160 0.410 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 -3.211 9.503 1.301 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 -2.470 10.592 0.944 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.096 6.877 -2.754 1.00 0.00 H new ATOM 0 HA HIS A 67 0.209 9.525 -1.450 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.548 6.917 -0.238 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.594 7.925 0.627 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.848 7.447 1.138 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.541 10.782 0.029 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.187 9.530 1.763 1.00 0.00 H new ATOM 1019 N TYR A 68 2.641 9.102 -1.033 1.00 0.00 N ATOM 1020 CA TYR A 68 4.088 8.985 -1.091 1.00 0.00 C ATOM 1021 C TYR A 68 4.703 9.089 0.306 1.00 0.00 C ATOM 1022 O TYR A 68 4.498 10.079 1.006 1.00 0.00 O ATOM 1023 CB TYR A 68 4.573 10.163 -1.938 1.00 0.00 C ATOM 1024 CG TYR A 68 4.058 10.148 -3.378 1.00 0.00 C ATOM 1025 CD1 TYR A 68 4.545 9.219 -4.275 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.107 11.063 -3.781 1.00 0.00 C ATOM 1027 CE1 TYR A 68 4.061 9.204 -5.631 1.00 0.00 C ATOM 1028 CE2 TYR A 68 2.622 11.048 -5.137 1.00 0.00 C ATOM 1029 CZ TYR A 68 3.123 10.120 -5.995 1.00 0.00 C ATOM 1030 OH TYR A 68 2.665 10.106 -7.276 1.00 0.00 O ATOM 0 H TYR A 68 2.299 9.929 -0.544 1.00 0.00 H new ATOM 0 HA TYR A 68 4.378 8.022 -1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.261 11.092 -1.461 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.663 10.162 -1.953 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.289 8.503 -3.960 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.726 11.791 -3.079 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.434 8.482 -6.343 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.877 11.758 -5.465 1.00 0.00 H new ATOM 0 HH TYR A 68 1.998 10.815 -7.393 1.00 0.00 H new ATOM 1040 N LEU A 69 5.444 8.053 0.670 1.00 0.00 N ATOM 1041 CA LEU A 69 6.091 8.015 1.971 1.00 0.00 C ATOM 1042 C LEU A 69 7.609 8.011 1.782 1.00 0.00 C ATOM 1043 O LEU A 69 8.103 7.685 0.703 1.00 0.00 O ATOM 1044 CB LEU A 69 5.570 6.835 2.794 1.00 0.00 C ATOM 1045 CG LEU A 69 4.093 6.483 2.603 1.00 0.00 C ATOM 1046 CD1 LEU A 69 3.844 4.998 2.874 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.200 7.381 3.461 1.00 0.00 C ATOM 0 H LEU A 69 5.611 7.233 0.087 1.00 0.00 H new ATOM 0 HA LEU A 69 5.844 8.908 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.167 5.956 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.738 7.051 3.849 1.00 0.00 H new ATOM 0 HG LEU A 69 3.829 6.668 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.787 4.774 2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.438 4.398 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.129 4.762 3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.156 7.110 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.457 7.252 4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.350 8.422 3.176 1.00 0.00 H new ATOM 1059 N PRO A 70 8.325 8.386 2.875 1.00 0.00 N ATOM 1060 CA PRO A 70 9.777 8.429 2.840 1.00 0.00 C ATOM 1061 C PRO A 70 10.369 7.019 2.894 1.00 0.00 C ATOM 1062 O PRO A 70 9.634 6.038 3.002 1.00 0.00 O ATOM 1063 CB PRO A 70 10.175 9.286 4.030 1.00 0.00 C ATOM 1064 CG PRO A 70 8.966 9.306 4.952 1.00 0.00 C ATOM 1065 CD PRO A 70 7.775 8.779 4.169 1.00 0.00 C ATOM 0 HA PRO A 70 10.162 8.855 1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.046 8.870 4.537 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.442 10.294 3.713 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.147 8.690 5.833 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.772 10.319 5.306 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.312 7.932 4.676 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.006 9.543 4.057 1.00 0.00 H new ATOM 1073 N ASN A 71 11.690 6.962 2.816 1.00 0.00 N ATOM 1074 CA ASN A 71 12.388 5.688 2.855 1.00 0.00 C ATOM 1075 C ASN A 71 12.627 5.287 4.311 1.00 0.00 C ATOM 1076 O ASN A 71 13.486 4.454 4.596 1.00 0.00 O ATOM 1077 CB ASN A 71 13.748 5.784 2.161 1.00 0.00 C ATOM 1078 CG ASN A 71 14.631 6.841 2.829 1.00 0.00 C ATOM 1079 OD1 ASN A 71 14.160 7.753 3.489 1.00 0.00 O ATOM 1080 ND2 ASN A 71 15.933 6.668 2.621 1.00 0.00 N ATOM 0 H ASN A 71 12.296 7.778 2.726 1.00 0.00 H new ATOM 0 HA ASN A 71 11.772 4.950 2.341 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.246 4.815 2.194 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.607 6.034 1.110 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.605 7.321 3.024 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.260 5.883 2.058 1.00 0.00 H new ATOM 1087 N VAL A 72 11.853 5.899 5.195 1.00 0.00 N ATOM 1088 CA VAL A 72 11.970 5.615 6.616 1.00 0.00 C ATOM 1089 C VAL A 72 10.683 4.948 7.106 1.00 0.00 C ATOM 1090 O VAL A 72 10.691 4.241 8.112 1.00 0.00 O ATOM 1091 CB VAL A 72 12.306 6.898 7.379 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.491 7.623 6.738 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.086 7.817 7.472 1.00 0.00 C ATOM 0 H VAL A 72 11.142 6.590 4.955 1.00 0.00 H new ATOM 0 HA VAL A 72 12.788 4.918 6.801 1.00 0.00 H new ATOM 0 HB VAL A 72 12.593 6.619 8.393 1.00 0.00 H new ATOM 0 HG11 VAL A 72 13.709 8.531 7.300 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.365 6.972 6.748 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.245 7.883 5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.353 8.721 8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.754 8.084 6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.281 7.301 7.995 1.00 0.00 H new ATOM 1103 N THR A 73 9.609 5.196 6.372 1.00 0.00 N ATOM 1104 CA THR A 73 8.317 4.628 6.719 1.00 0.00 C ATOM 1105 C THR A 73 8.011 3.418 5.834 1.00 0.00 C ATOM 1106 O THR A 73 8.186 3.474 4.617 1.00 0.00 O ATOM 1107 CB THR A 73 7.269 5.737 6.615 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.522 6.561 7.750 1.00 0.00 O ATOM 1109 CG2 THR A 73 5.846 5.222 6.839 1.00 0.00 C ATOM 0 H THR A 73 9.606 5.783 5.538 1.00 0.00 H new ATOM 0 HA THR A 73 8.313 4.252 7.742 1.00 0.00 H new ATOM 0 HB THR A 73 7.334 6.207 5.634 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.887 7.308 7.760 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.142 6.050 6.754 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.610 4.467 6.089 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.771 4.782 7.833 1.00 0.00 H new ATOM 1117 N LEU A 74 7.560 2.352 6.478 1.00 0.00 N ATOM 1118 CA LEU A 74 7.228 1.131 5.765 1.00 0.00 C ATOM 1119 C LEU A 74 5.784 0.736 6.082 1.00 0.00 C ATOM 1120 O LEU A 74 5.294 -0.282 5.595 1.00 0.00 O ATOM 1121 CB LEU A 74 8.248 0.034 6.076 1.00 0.00 C ATOM 1122 CG LEU A 74 9.705 0.487 6.191 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.504 -0.459 7.089 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.343 0.639 4.808 1.00 0.00 C ATOM 0 H LEU A 74 7.417 2.309 7.487 1.00 0.00 H new ATOM 0 HA LEU A 74 7.286 1.292 4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.962 -0.446 7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.185 -0.725 5.297 1.00 0.00 H new ATOM 0 HG LEU A 74 9.721 1.469 6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.536 -0.114 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.063 -0.474 8.086 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.483 -1.464 6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.378 0.962 4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.315 -0.318 4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.791 1.382 4.232 1.00 0.00 H new ATOM 1136 N GLU A 75 5.144 1.562 6.897 1.00 0.00 N ATOM 1137 CA GLU A 75 3.767 1.311 7.286 1.00 0.00 C ATOM 1138 C GLU A 75 2.934 2.586 7.139 1.00 0.00 C ATOM 1139 O GLU A 75 3.438 3.689 7.347 1.00 0.00 O ATOM 1140 CB GLU A 75 3.690 0.768 8.714 1.00 0.00 C ATOM 1141 CG GLU A 75 4.544 1.607 9.667 1.00 0.00 C ATOM 1142 CD GLU A 75 5.798 0.843 10.096 1.00 0.00 C ATOM 1143 OE1 GLU A 75 5.632 -0.156 10.828 1.00 0.00 O ATOM 1144 OE2 GLU A 75 6.896 1.275 9.681 1.00 0.00 O ATOM 0 H GLU A 75 5.554 2.405 7.298 1.00 0.00 H new ATOM 0 HA GLU A 75 3.355 0.551 6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.654 0.769 9.052 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.030 -0.268 8.732 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.831 2.539 9.179 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.958 1.874 10.546 1.00 0.00 H new ATOM 1151 N TYR A 76 1.673 2.393 6.782 1.00 0.00 N ATOM 1152 CA TYR A 76 0.765 3.514 6.605 1.00 0.00 C ATOM 1153 C TYR A 76 -0.650 3.150 7.058 1.00 0.00 C ATOM 1154 O TYR A 76 -1.026 1.979 7.053 1.00 0.00 O ATOM 1155 CB TYR A 76 0.747 3.809 5.104 1.00 0.00 C ATOM 1156 CG TYR A 76 -0.108 5.017 4.718 1.00 0.00 C ATOM 1157 CD1 TYR A 76 -1.445 4.850 4.418 1.00 0.00 C ATOM 1158 CD2 TYR A 76 0.457 6.275 4.669 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -2.250 5.987 4.054 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -0.347 7.413 4.305 1.00 0.00 C ATOM 1161 CZ TYR A 76 -1.661 7.213 4.016 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.421 8.287 3.673 1.00 0.00 O ATOM 0 H TYR A 76 1.258 1.477 6.610 1.00 0.00 H new ATOM 0 HA TYR A 76 1.092 4.370 7.195 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.769 3.977 4.765 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.376 2.931 4.576 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.888 3.866 4.456 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.503 6.406 4.904 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.297 5.869 3.817 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.084 8.403 4.262 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.869 9.097 3.688 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.397 4.176 7.440 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.763 3.979 7.896 1.00 0.00 C ATOM 1174 C ARG A 77 -3.749 4.309 6.774 1.00 0.00 C ATOM 1175 O ARG A 77 -3.920 5.473 6.415 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.070 4.856 9.111 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.495 4.618 9.613 1.00 0.00 C ATOM 1178 CD ARG A 77 -4.492 4.153 11.071 1.00 0.00 C ATOM 1179 NE ARG A 77 -3.956 5.223 11.942 1.00 0.00 N ATOM 1180 CZ ARG A 77 -4.196 5.311 13.257 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -4.964 4.395 13.862 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -3.668 6.317 13.969 1.00 0.00 N ATOM 0 H ARG A 77 -1.082 5.146 7.443 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.870 2.933 8.182 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.359 4.640 9.909 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.944 5.906 8.847 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.075 5.536 9.522 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.984 3.869 8.990 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.504 3.893 11.381 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.887 3.252 11.173 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.367 5.938 11.514 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.367 3.630 13.321 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.146 4.463 14.863 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.084 7.015 13.509 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.851 6.384 14.970 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.373 3.264 6.251 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.338 3.428 5.177 1.00 0.00 C ATOM 1198 C VAL A 78 -6.688 3.837 5.769 1.00 0.00 C ATOM 1199 O VAL A 78 -7.082 3.343 6.825 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.414 2.149 4.342 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -6.446 2.287 3.221 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -4.040 1.779 3.779 1.00 0.00 C ATOM 0 H VAL A 78 -4.229 2.300 6.551 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.025 4.223 4.500 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.737 1.340 4.997 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.480 1.364 2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.428 2.482 3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.166 3.114 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.122 0.866 3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.676 2.588 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.341 1.619 4.600 1.00 0.00 H new ATOM 1212 N THR A 79 -7.360 4.735 5.064 1.00 0.00 N ATOM 1213 CA THR A 79 -8.658 5.215 5.506 1.00 0.00 C ATOM 1214 C THR A 79 -9.495 5.670 4.308 1.00 0.00 C ATOM 1215 O THR A 79 -8.949 6.078 3.284 1.00 0.00 O ATOM 1216 CB THR A 79 -8.427 6.319 6.540 1.00 0.00 C ATOM 1217 OG1 THR A 79 -7.534 7.220 5.891 1.00 0.00 O ATOM 1218 CG2 THR A 79 -7.640 5.826 7.756 1.00 0.00 C ATOM 0 H THR A 79 -7.030 5.143 4.189 1.00 0.00 H new ATOM 0 HA THR A 79 -9.233 4.420 5.981 1.00 0.00 H new ATOM 0 HB THR A 79 -9.387 6.718 6.866 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.332 7.968 6.490 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.504 6.648 8.459 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.189 5.020 8.243 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.666 5.458 7.434 1.00 0.00 H new ATOM 1226 N GLY A 80 -10.806 5.585 4.477 1.00 0.00 N ATOM 1227 CA GLY A 80 -11.724 5.983 3.423 1.00 0.00 C ATOM 1228 C GLY A 80 -12.136 4.780 2.572 1.00 0.00 C ATOM 1229 O GLY A 80 -12.614 4.943 1.450 1.00 0.00 O ATOM 0 H GLY A 80 -11.255 5.246 5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.609 6.443 3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.253 6.736 2.791 1.00 0.00 H new ATOM 1233 N LEU A 81 -11.934 3.599 3.137 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.279 2.369 2.444 1.00 0.00 C ATOM 1235 C LEU A 81 -13.776 2.099 2.606 1.00 0.00 C ATOM 1236 O LEU A 81 -14.568 3.032 2.732 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.392 1.218 2.922 1.00 0.00 C ATOM 1238 CG LEU A 81 -9.930 1.570 3.203 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -9.248 0.470 4.018 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.178 1.871 1.905 1.00 0.00 C ATOM 0 H LEU A 81 -11.536 3.467 4.067 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.086 2.468 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.827 0.804 3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.417 0.430 2.170 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.908 2.478 3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.210 0.745 4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.767 0.347 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.281 -0.468 3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.141 2.118 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.208 0.996 1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.649 2.714 1.399 1.00 0.00 H new ATOM 1252 N THR A 82 -14.119 0.820 2.598 1.00 0.00 N ATOM 1253 CA THR A 82 -15.507 0.416 2.742 1.00 0.00 C ATOM 1254 C THR A 82 -15.625 -0.745 3.731 1.00 0.00 C ATOM 1255 O THR A 82 -14.713 -1.563 3.846 1.00 0.00 O ATOM 1256 CB THR A 82 -16.051 0.086 1.351 1.00 0.00 C ATOM 1257 OG1 THR A 82 -15.816 1.271 0.596 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.573 -0.069 1.338 1.00 0.00 C ATOM 0 H THR A 82 -13.459 0.049 2.494 1.00 0.00 H new ATOM 0 HA THR A 82 -16.111 1.221 3.160 1.00 0.00 H new ATOM 0 HB THR A 82 -15.590 -0.834 0.991 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.140 1.093 -0.091 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.906 -0.303 0.327 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.862 -0.876 2.011 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.036 0.861 1.667 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.755 -0.781 4.422 1.00 0.00 N ATOM 1267 CA ALA A 83 -17.003 -1.828 5.398 1.00 0.00 C ATOM 1268 C ALA A 83 -17.185 -3.163 4.672 1.00 0.00 C ATOM 1269 O ALA A 83 -17.838 -3.223 3.632 1.00 0.00 O ATOM 1270 CB ALA A 83 -18.220 -1.456 6.248 1.00 0.00 C ATOM 0 H ALA A 83 -17.509 -0.101 4.325 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.154 -1.933 6.073 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.406 -2.242 6.980 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -18.029 -0.516 6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.093 -1.345 5.605 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.596 -4.199 5.251 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.685 -5.529 4.672 1.00 0.00 C ATOM 1278 C LEU A 84 -16.477 -5.437 3.159 1.00 0.00 C ATOM 1279 O LEU A 84 -17.332 -5.862 2.384 1.00 0.00 O ATOM 1280 CB LEU A 84 -18.000 -6.201 5.072 1.00 0.00 C ATOM 1281 CG LEU A 84 -18.252 -6.340 6.575 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -19.412 -7.299 6.850 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -16.976 -6.757 7.309 1.00 0.00 C ATOM 0 H LEU A 84 -16.056 -4.145 6.114 1.00 0.00 H new ATOM 0 HA LEU A 84 -15.895 -6.169 5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.822 -5.633 4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.028 -7.195 4.626 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.542 -5.364 6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -19.570 -7.380 7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.318 -6.919 6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.176 -8.282 6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.183 -6.849 8.375 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.631 -7.716 6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.204 -6.004 7.153 1.00 0.00 H new ATOM 1295 N THR A 85 -15.335 -4.879 2.784 1.00 0.00 N ATOM 1296 CA THR A 85 -15.004 -4.726 1.377 1.00 0.00 C ATOM 1297 C THR A 85 -13.564 -5.174 1.117 1.00 0.00 C ATOM 1298 O THR A 85 -12.681 -4.947 1.942 1.00 0.00 O ATOM 1299 CB THR A 85 -15.268 -3.271 0.985 1.00 0.00 C ATOM 1300 OG1 THR A 85 -16.675 -3.222 0.763 1.00 0.00 O ATOM 1301 CG2 THR A 85 -14.664 -2.912 -0.374 1.00 0.00 C ATOM 0 H THR A 85 -14.628 -4.528 3.429 1.00 0.00 H new ATOM 0 HA THR A 85 -15.628 -5.364 0.752 1.00 0.00 H new ATOM 0 HB THR A 85 -14.861 -2.609 1.749 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.142 -3.220 1.624 1.00 0.00 H new ATOM 0 HG21 THR A 85 -14.880 -1.869 -0.604 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.585 -3.061 -0.343 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.096 -3.551 -1.144 1.00 0.00 H new ATOM 1309 N THR A 86 -13.373 -5.802 -0.034 1.00 0.00 N ATOM 1310 CA THR A 86 -12.055 -6.284 -0.414 1.00 0.00 C ATOM 1311 C THR A 86 -11.241 -5.159 -1.057 1.00 0.00 C ATOM 1312 O THR A 86 -11.667 -4.569 -2.049 1.00 0.00 O ATOM 1313 CB THR A 86 -12.241 -7.498 -1.326 1.00 0.00 C ATOM 1314 OG1 THR A 86 -13.103 -8.358 -0.587 1.00 0.00 O ATOM 1315 CG2 THR A 86 -10.954 -8.310 -1.488 1.00 0.00 C ATOM 0 H THR A 86 -14.108 -5.988 -0.716 1.00 0.00 H new ATOM 0 HA THR A 86 -11.482 -6.599 0.458 1.00 0.00 H new ATOM 0 HB THR A 86 -12.588 -7.167 -2.305 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.278 -9.171 -1.106 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.140 -9.160 -2.144 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.178 -7.679 -1.922 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.626 -8.670 -0.513 1.00 0.00 H new ATOM 1323 N TYR A 87 -10.085 -4.896 -0.466 1.00 0.00 N ATOM 1324 CA TYR A 87 -9.208 -3.853 -0.969 1.00 0.00 C ATOM 1325 C TYR A 87 -7.779 -4.373 -1.139 1.00 0.00 C ATOM 1326 O TYR A 87 -7.323 -5.212 -0.363 1.00 0.00 O ATOM 1327 CB TYR A 87 -9.213 -2.750 0.092 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.378 -1.767 -0.039 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -11.567 -2.015 0.616 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -10.241 -0.633 -0.813 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -12.664 -1.090 0.493 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -11.337 0.293 -0.936 1.00 0.00 C ATOM 1333 CZ TYR A 87 -12.495 0.018 -0.277 1.00 0.00 C ATOM 1334 OH TYR A 87 -13.530 0.892 -0.394 1.00 0.00 O ATOM 0 H TYR A 87 -9.735 -5.387 0.357 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.550 -3.500 -1.942 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.248 -3.210 1.080 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.276 -2.197 0.031 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -11.675 -2.903 1.221 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -9.311 -0.440 -1.327 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -13.600 -1.272 1.001 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -11.242 1.185 -1.537 1.00 0.00 H new ATOM 0 HH TYR A 87 -13.265 1.637 -0.973 1.00 0.00 H new ATOM 1344 N THR A 88 -7.111 -3.853 -2.158 1.00 0.00 N ATOM 1345 CA THR A 88 -5.743 -4.254 -2.440 1.00 0.00 C ATOM 1346 C THR A 88 -4.796 -3.063 -2.288 1.00 0.00 C ATOM 1347 O THR A 88 -4.809 -2.146 -3.108 1.00 0.00 O ATOM 1348 CB THR A 88 -5.713 -4.881 -3.835 1.00 0.00 C ATOM 1349 OG1 THR A 88 -5.755 -6.284 -3.587 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.373 -4.668 -4.543 1.00 0.00 C ATOM 0 H THR A 88 -7.492 -3.157 -2.799 1.00 0.00 H new ATOM 0 HA THR A 88 -5.393 -4.999 -1.725 1.00 0.00 H new ATOM 0 HB THR A 88 -6.515 -4.459 -4.440 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.901 -6.761 -4.430 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.404 -5.132 -5.529 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.184 -3.600 -4.651 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.575 -5.120 -3.954 1.00 0.00 H new ATOM 1358 N ILE A 89 -3.996 -3.114 -1.233 1.00 0.00 N ATOM 1359 CA ILE A 89 -3.044 -2.050 -0.963 1.00 0.00 C ATOM 1360 C ILE A 89 -1.742 -2.335 -1.713 1.00 0.00 C ATOM 1361 O ILE A 89 -1.103 -3.362 -1.488 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.858 -1.868 0.545 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.166 -2.127 1.294 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -2.279 -0.488 0.863 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.339 -1.420 0.612 1.00 0.00 C ATOM 0 H ILE A 89 -3.988 -3.876 -0.555 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.423 -1.097 -1.332 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.137 -2.608 0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.358 -3.199 1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.075 -1.778 2.323 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.157 -0.384 1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.310 -0.379 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.957 0.284 0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.256 -1.621 1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.155 -0.346 0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.443 -1.789 -0.408 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.386 -1.407 -2.590 1.00 0.00 N ATOM 1378 CA GLU A 90 -0.171 -1.546 -3.375 1.00 0.00 C ATOM 1379 C GLU A 90 0.944 -0.682 -2.783 1.00 0.00 C ATOM 1380 O GLU A 90 0.828 0.541 -2.734 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.422 -1.188 -4.841 1.00 0.00 C ATOM 1382 CG GLU A 90 -1.600 -1.985 -5.406 1.00 0.00 C ATOM 1383 CD GLU A 90 -2.457 -1.116 -6.329 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -2.501 0.108 -6.077 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -3.050 -1.695 -7.264 1.00 0.00 O ATOM 0 H GLU A 90 -1.918 -0.556 -2.774 1.00 0.00 H new ATOM 0 HA GLU A 90 0.145 -2.589 -3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.625 -0.121 -4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.474 -1.391 -5.427 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.228 -2.850 -5.956 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.212 -2.366 -4.588 1.00 0.00 H new ATOM 1392 N VAL A 91 2.001 -1.353 -2.347 1.00 0.00 N ATOM 1393 CA VAL A 91 3.136 -0.663 -1.761 1.00 0.00 C ATOM 1394 C VAL A 91 4.332 -0.757 -2.711 1.00 0.00 C ATOM 1395 O VAL A 91 4.856 -1.844 -2.948 1.00 0.00 O ATOM 1396 CB VAL A 91 3.432 -1.229 -0.370 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.687 -0.589 0.227 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.230 -1.052 0.560 1.00 0.00 C ATOM 0 H VAL A 91 2.094 -2.368 -2.388 1.00 0.00 H new ATOM 0 HA VAL A 91 2.911 0.395 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 91 3.620 -2.298 -0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.875 -1.009 1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.541 -0.789 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.541 0.488 0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.466 -1.462 1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.998 0.009 0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.369 -1.576 0.145 1.00 0.00 H new ATOM 1408 N ALA A 92 4.727 0.396 -3.229 1.00 0.00 N ATOM 1409 CA ALA A 92 5.851 0.458 -4.148 1.00 0.00 C ATOM 1410 C ALA A 92 7.020 1.174 -3.470 1.00 0.00 C ATOM 1411 O ALA A 92 6.842 1.826 -2.443 1.00 0.00 O ATOM 1412 CB ALA A 92 5.415 1.148 -5.442 1.00 0.00 C ATOM 0 H ALA A 92 4.289 1.295 -3.030 1.00 0.00 H new ATOM 0 HA ALA A 92 6.187 -0.545 -4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.258 1.195 -6.131 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.603 0.583 -5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.073 2.159 -5.218 1.00 0.00 H new ATOM 1418 N ALA A 93 8.191 1.029 -4.073 1.00 0.00 N ATOM 1419 CA ALA A 93 9.390 1.655 -3.540 1.00 0.00 C ATOM 1420 C ALA A 93 9.934 2.656 -4.561 1.00 0.00 C ATOM 1421 O ALA A 93 9.735 2.492 -5.764 1.00 0.00 O ATOM 1422 CB ALA A 93 10.412 0.575 -3.180 1.00 0.00 C ATOM 0 H ALA A 93 8.335 0.487 -4.925 1.00 0.00 H new ATOM 0 HA ALA A 93 9.163 2.206 -2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.311 1.044 -2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.987 -0.093 -2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.667 0.003 -4.072 1.00 0.00 H new ATOM 1428 N MET A 94 10.611 3.671 -4.044 1.00 0.00 N ATOM 1429 CA MET A 94 11.186 4.698 -4.896 1.00 0.00 C ATOM 1430 C MET A 94 12.662 4.925 -4.562 1.00 0.00 C ATOM 1431 O MET A 94 13.041 4.944 -3.392 1.00 0.00 O ATOM 1432 CB MET A 94 10.414 6.006 -4.710 1.00 0.00 C ATOM 1433 CG MET A 94 8.904 5.768 -4.791 1.00 0.00 C ATOM 1434 SD MET A 94 8.043 6.971 -3.792 1.00 0.00 S ATOM 1435 CE MET A 94 7.506 8.102 -5.064 1.00 0.00 C ATOM 0 H MET A 94 10.774 3.804 -3.046 1.00 0.00 H new ATOM 0 HA MET A 94 11.114 4.367 -5.932 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.665 6.447 -3.745 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.715 6.722 -5.475 1.00 0.00 H new ATOM 0 HG2 MET A 94 8.571 5.838 -5.827 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.667 4.761 -4.447 1.00 0.00 H new ATOM 0 HE1 MET A 94 7.290 9.073 -4.619 1.00 0.00 H new ATOM 0 HE2 MET A 94 8.293 8.211 -5.810 1.00 0.00 H new ATOM 0 HE3 MET A 94 6.606 7.713 -5.541 1.00 0.00 H new ATOM 1445 N THR A 95 13.454 5.090 -5.611 1.00 0.00 N ATOM 1446 CA THR A 95 14.880 5.315 -5.444 1.00 0.00 C ATOM 1447 C THR A 95 15.289 6.642 -6.084 1.00 0.00 C ATOM 1448 O THR A 95 14.440 7.482 -6.379 1.00 0.00 O ATOM 1449 CB THR A 95 15.620 4.107 -6.024 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.861 3.756 -7.178 1.00 0.00 O ATOM 1451 CG2 THR A 95 15.522 2.873 -5.124 1.00 0.00 C ATOM 0 H THR A 95 13.136 5.072 -6.580 1.00 0.00 H new ATOM 0 HA THR A 95 15.146 5.403 -4.391 1.00 0.00 H new ATOM 0 HB THR A 95 16.669 4.363 -6.177 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.453 3.358 -7.850 1.00 0.00 H new ATOM 0 HG21 THR A 95 16.064 2.045 -5.582 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.957 3.097 -4.150 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.475 2.597 -4.998 1.00 0.00 H new ATOM 1459 N SER A 96 16.591 6.791 -6.281 1.00 0.00 N ATOM 1460 CA SER A 96 17.124 8.003 -6.881 1.00 0.00 C ATOM 1461 C SER A 96 16.834 8.014 -8.383 1.00 0.00 C ATOM 1462 O SER A 96 17.176 8.970 -9.078 1.00 0.00 O ATOM 1463 CB SER A 96 18.628 8.127 -6.629 1.00 0.00 C ATOM 1464 OG SER A 96 19.379 7.209 -7.419 1.00 0.00 O ATOM 0 H SER A 96 17.293 6.092 -6.036 1.00 0.00 H new ATOM 0 HA SER A 96 16.634 8.859 -6.417 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.950 9.144 -6.851 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.835 7.950 -5.573 1.00 0.00 H new ATOM 0 HG SER A 96 20.334 7.321 -7.231 1.00 0.00 H new ATOM 1470 N LYS A 97 16.208 6.940 -8.840 1.00 0.00 N ATOM 1471 CA LYS A 97 15.869 6.814 -10.248 1.00 0.00 C ATOM 1472 C LYS A 97 14.359 6.992 -10.422 1.00 0.00 C ATOM 1473 O LYS A 97 13.914 7.704 -11.321 1.00 0.00 O ATOM 1474 CB LYS A 97 16.402 5.495 -10.811 1.00 0.00 C ATOM 1475 CG LYS A 97 15.268 4.651 -11.396 1.00 0.00 C ATOM 1476 CD LYS A 97 14.767 5.243 -12.715 1.00 0.00 C ATOM 1477 CE LYS A 97 13.241 5.344 -12.726 1.00 0.00 C ATOM 1478 NZ LYS A 97 12.670 4.449 -13.758 1.00 0.00 N ATOM 0 H LYS A 97 15.926 6.149 -8.261 1.00 0.00 H new ATOM 0 HA LYS A 97 16.352 7.600 -10.829 1.00 0.00 H new ATOM 0 HB2 LYS A 97 17.144 5.698 -11.583 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.907 4.936 -10.023 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.616 3.631 -11.560 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.446 4.596 -10.683 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.201 6.232 -12.862 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.100 4.622 -13.546 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.846 5.077 -11.746 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.940 6.373 -12.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.665 4.278 -13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.760 4.895 -14.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.183 3.544 -13.755 1.00 0.00 H new ATOM 1492 N GLY A 98 13.613 6.332 -9.548 1.00 0.00 N ATOM 1493 CA GLY A 98 12.163 6.408 -9.594 1.00 0.00 C ATOM 1494 C GLY A 98 11.528 5.258 -8.809 1.00 0.00 C ATOM 1495 O GLY A 98 12.172 4.658 -7.950 1.00 0.00 O ATOM 0 H GLY A 98 13.986 5.742 -8.804 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.832 7.361 -9.181 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.826 6.375 -10.630 1.00 0.00 H new ATOM 1499 N GLN A 99 10.273 4.985 -9.133 1.00 0.00 N ATOM 1500 CA GLN A 99 9.544 3.918 -8.469 1.00 0.00 C ATOM 1501 C GLN A 99 9.742 2.596 -9.214 1.00 0.00 C ATOM 1502 O GLN A 99 9.858 2.581 -10.438 1.00 0.00 O ATOM 1503 CB GLN A 99 8.058 4.261 -8.348 1.00 0.00 C ATOM 1504 CG GLN A 99 7.336 3.261 -7.443 1.00 0.00 C ATOM 1505 CD GLN A 99 6.097 2.690 -8.135 1.00 0.00 C ATOM 1506 OE1 GLN A 99 4.971 3.338 -7.850 1.00 0.00 O flip ATOM 1507 NE2 GLN A 99 6.159 1.725 -8.879 1.00 0.00 N flip ATOM 0 H GLN A 99 9.742 5.484 -9.847 1.00 0.00 H new ATOM 0 HA GLN A 99 9.941 3.807 -7.460 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.945 5.268 -7.946 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.599 4.259 -9.337 1.00 0.00 H new ATOM 0 HG2 GLN A 99 8.014 2.450 -7.177 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.045 3.751 -6.514 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.057 1.274 -9.055 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.313 1.370 -9.325 1.00 0.00 H new ATOM 1516 N GLY A 100 9.776 1.519 -8.444 1.00 0.00 N ATOM 1517 CA GLY A 100 9.959 0.196 -9.015 1.00 0.00 C ATOM 1518 C GLY A 100 8.734 -0.685 -8.762 1.00 0.00 C ATOM 1519 O GLY A 100 7.622 -0.180 -8.612 1.00 0.00 O ATOM 0 H GLY A 100 9.680 1.536 -7.429 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.136 0.280 -10.087 1.00 0.00 H new ATOM 0 HA3 GLY A 100 10.843 -0.272 -8.582 1.00 0.00 H new ATOM 1523 N GLN A 101 8.978 -1.987 -8.723 1.00 0.00 N ATOM 1524 CA GLN A 101 7.908 -2.942 -8.491 1.00 0.00 C ATOM 1525 C GLN A 101 6.974 -2.436 -7.390 1.00 0.00 C ATOM 1526 O GLN A 101 7.317 -1.509 -6.658 1.00 0.00 O ATOM 1527 CB GLN A 101 8.471 -4.321 -8.142 1.00 0.00 C ATOM 1528 CG GLN A 101 7.521 -5.432 -8.594 1.00 0.00 C ATOM 1529 CD GLN A 101 8.298 -6.620 -9.164 1.00 0.00 C ATOM 1530 OE1 GLN A 101 9.398 -6.487 -9.676 1.00 0.00 O ATOM 1531 NE2 GLN A 101 7.668 -7.785 -9.047 1.00 0.00 N ATOM 0 H GLN A 101 9.901 -2.403 -8.848 1.00 0.00 H new ATOM 0 HA GLN A 101 7.332 -3.043 -9.411 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.443 -4.452 -8.619 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.632 -4.390 -7.066 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.913 -5.761 -7.751 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.836 -5.045 -9.349 1.00 0.00 H new ATOM 0 HE21 GLN A 101 6.748 -7.826 -8.608 1.00 0.00 H new ATOM 0 HE22 GLN A 101 8.104 -8.638 -9.397 1.00 0.00 H new ATOM 1540 N VAL A 102 5.813 -3.068 -7.307 1.00 0.00 N ATOM 1541 CA VAL A 102 4.827 -2.693 -6.308 1.00 0.00 C ATOM 1542 C VAL A 102 4.236 -3.958 -5.681 1.00 0.00 C ATOM 1543 O VAL A 102 3.961 -4.931 -6.381 1.00 0.00 O ATOM 1544 CB VAL A 102 3.766 -1.784 -6.933 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.562 -2.597 -7.413 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.335 -0.690 -5.954 1.00 0.00 C ATOM 0 H VAL A 102 5.533 -3.837 -7.915 1.00 0.00 H new ATOM 0 HA VAL A 102 5.295 -2.120 -5.507 1.00 0.00 H new ATOM 0 HB VAL A 102 4.210 -1.299 -7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.823 -1.927 -7.853 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.886 -3.321 -8.161 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.118 -3.123 -6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.581 -0.058 -6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.918 -1.148 -5.057 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.199 -0.083 -5.683 1.00 0.00 H new ATOM 1556 N SER A 103 4.058 -3.903 -4.369 1.00 0.00 N ATOM 1557 CA SER A 103 3.505 -5.032 -3.641 1.00 0.00 C ATOM 1558 C SER A 103 2.031 -4.776 -3.321 1.00 0.00 C ATOM 1559 O SER A 103 1.712 -3.976 -2.443 1.00 0.00 O ATOM 1560 CB SER A 103 4.290 -5.294 -2.354 1.00 0.00 C ATOM 1561 OG SER A 103 5.479 -6.041 -2.596 1.00 0.00 O ATOM 0 H SER A 103 4.287 -3.094 -3.792 1.00 0.00 H new ATOM 0 HA SER A 103 3.585 -5.918 -4.270 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.548 -4.344 -1.887 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.659 -5.835 -1.649 1.00 0.00 H new ATOM 0 HG SER A 103 5.952 -6.186 -1.750 1.00 0.00 H new ATOM 1567 N ALA A 104 1.171 -5.472 -4.050 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.262 -5.331 -3.855 1.00 0.00 C ATOM 1569 C ALA A 104 -0.798 -6.569 -3.133 1.00 0.00 C ATOM 1570 O ALA A 104 -0.688 -7.684 -3.641 1.00 0.00 O ATOM 1571 CB ALA A 104 -0.941 -5.104 -5.207 1.00 0.00 C ATOM 0 H ALA A 104 1.439 -6.135 -4.777 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.482 -4.465 -3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.016 -4.998 -5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.546 -4.197 -5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.745 -5.955 -5.860 1.00 0.00 H new ATOM 1577 N SER A 105 -1.367 -6.330 -1.961 1.00 0.00 N ATOM 1578 CA SER A 105 -1.921 -7.412 -1.164 1.00 0.00 C ATOM 1579 C SER A 105 -3.419 -7.190 -0.950 1.00 0.00 C ATOM 1580 O SER A 105 -3.838 -6.108 -0.541 1.00 0.00 O ATOM 1581 CB SER A 105 -1.204 -7.527 0.183 1.00 0.00 C ATOM 1582 OG SER A 105 -0.338 -8.658 0.232 1.00 0.00 O ATOM 0 H SER A 105 -1.457 -5.404 -1.544 1.00 0.00 H new ATOM 0 HA SER A 105 -1.772 -8.346 -1.705 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.627 -6.620 0.365 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.942 -7.601 0.982 1.00 0.00 H new ATOM 0 HG SER A 105 0.102 -8.695 1.107 1.00 0.00 H new ATOM 1588 N THR A 106 -4.186 -8.232 -1.237 1.00 0.00 N ATOM 1589 CA THR A 106 -5.629 -8.165 -1.081 1.00 0.00 C ATOM 1590 C THR A 106 -6.012 -8.284 0.395 1.00 0.00 C ATOM 1591 O THR A 106 -5.578 -9.209 1.080 1.00 0.00 O ATOM 1592 CB THR A 106 -6.251 -9.251 -1.960 1.00 0.00 C ATOM 1593 OG1 THR A 106 -5.289 -9.456 -2.992 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.496 -8.763 -2.703 1.00 0.00 C ATOM 0 H THR A 106 -3.835 -9.127 -1.577 1.00 0.00 H new ATOM 0 HA THR A 106 -6.018 -7.201 -1.408 1.00 0.00 H new ATOM 0 HB THR A 106 -6.511 -10.111 -1.343 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.612 -10.147 -3.607 1.00 0.00 H new ATOM 0 HG21 THR A 106 -7.897 -9.573 -3.312 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.249 -8.444 -1.982 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.231 -7.923 -3.345 1.00 0.00 H new ATOM 1602 N ILE A 107 -6.822 -7.335 0.842 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.269 -7.323 2.225 1.00 0.00 C ATOM 1604 C ILE A 107 -8.707 -6.804 2.287 1.00 0.00 C ATOM 1605 O ILE A 107 -9.040 -5.809 1.644 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.291 -6.532 3.096 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -6.659 -6.648 4.577 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -6.205 -5.075 2.640 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -6.221 -7.999 5.147 1.00 0.00 C ATOM 0 H ILE A 107 -7.180 -6.569 0.271 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.277 -8.334 2.632 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.298 -6.966 2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.185 -5.842 5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -7.736 -6.530 4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.503 -4.536 3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.861 -5.037 1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.189 -4.612 2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -6.494 -8.055 6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -6.715 -8.802 4.600 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -5.141 -8.103 5.046 1.00 0.00 H new ATOM 1621 N SER A 108 -9.520 -7.500 3.067 1.00 0.00 N ATOM 1622 CA SER A 108 -10.914 -7.121 3.222 1.00 0.00 C ATOM 1623 C SER A 108 -11.130 -6.462 4.586 1.00 0.00 C ATOM 1624 O SER A 108 -10.836 -7.059 5.621 1.00 0.00 O ATOM 1625 CB SER A 108 -11.835 -8.334 3.068 1.00 0.00 C ATOM 1626 OG SER A 108 -13.211 -7.966 3.088 1.00 0.00 O ATOM 0 H SER A 108 -9.240 -8.324 3.599 1.00 0.00 H new ATOM 0 HA SER A 108 -11.163 -6.407 2.437 1.00 0.00 H new ATOM 0 HB2 SER A 108 -11.610 -8.843 2.131 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.638 -9.043 3.872 1.00 0.00 H new ATOM 0 HG SER A 108 -13.766 -8.767 2.985 1.00 0.00 H new ATOM 1632 N SER A 109 -11.640 -5.240 4.543 1.00 0.00 N ATOM 1633 CA SER A 109 -11.898 -4.493 5.762 1.00 0.00 C ATOM 1634 C SER A 109 -12.442 -5.429 6.843 1.00 0.00 C ATOM 1635 O SER A 109 -13.088 -6.430 6.536 1.00 0.00 O ATOM 1636 CB SER A 109 -12.880 -3.347 5.509 1.00 0.00 C ATOM 1637 OG SER A 109 -14.141 -3.818 5.041 1.00 0.00 O ATOM 0 H SER A 109 -11.882 -4.748 3.683 1.00 0.00 H new ATOM 0 HA SER A 109 -10.958 -4.060 6.104 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.023 -2.782 6.430 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.455 -2.660 4.777 1.00 0.00 H new ATOM 0 HG SER A 109 -14.592 -3.105 4.543 1.00 0.00 H new ATOM 1643 N GLY A 110 -12.160 -5.070 8.088 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.613 -5.865 9.216 1.00 0.00 C ATOM 1645 C GLY A 110 -14.141 -5.886 9.295 1.00 0.00 C ATOM 1646 O GLY A 110 -14.786 -6.746 8.698 1.00 0.00 O ATOM 0 H GLY A 110 -11.624 -4.240 8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.236 -6.884 9.122 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.203 -5.458 10.140 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.676 -4.927 10.036 1.00 0.00 N ATOM 1651 CA VAL A 111 -16.116 -4.824 10.201 1.00 0.00 C ATOM 1652 C VAL A 111 -16.443 -3.579 11.028 1.00 0.00 C ATOM 1653 O VAL A 111 -15.728 -3.252 11.974 1.00 0.00 O ATOM 1654 CB VAL A 111 -16.666 -6.112 10.816 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -16.015 -6.393 12.172 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -18.190 -6.053 10.941 1.00 0.00 C ATOM 0 H VAL A 111 -14.138 -4.214 10.529 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.604 -4.708 9.233 1.00 0.00 H new ATOM 0 HB VAL A 111 -16.417 -6.936 10.147 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -16.423 -7.314 12.588 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.938 -6.499 12.043 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -16.219 -5.566 12.852 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -18.555 -6.981 11.381 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -18.471 -5.214 11.578 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -18.631 -5.922 9.953 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.553 -2.900 10.632 1.00 0.00 N ATOM 1667 CA PRO A 112 -17.983 -1.698 11.326 1.00 0.00 C ATOM 1668 C PRO A 112 -18.631 -2.043 12.668 1.00 0.00 C ATOM 1669 O PRO A 112 -19.551 -2.858 12.727 1.00 0.00 O ATOM 1670 CB PRO A 112 -18.938 -1.009 10.365 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.367 -2.074 9.368 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.424 -3.258 9.516 1.00 0.00 C ATOM 0 HA PRO A 112 -17.153 -1.040 11.581 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.799 -0.601 10.895 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.450 -0.175 9.860 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.396 -2.380 9.555 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.331 -1.682 8.352 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -18.972 -4.178 9.720 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.851 -3.424 8.604 1.00 0.00 H new ATOM 1680 N PRO A 113 -18.112 -1.389 13.742 1.00 0.00 N ATOM 1681 CA PRO A 113 -18.631 -1.617 15.080 1.00 0.00 C ATOM 1682 C PRO A 113 -19.983 -0.928 15.269 1.00 0.00 C ATOM 1683 O PRO A 113 -20.163 -0.154 16.208 1.00 0.00 O ATOM 1684 CB PRO A 113 -17.556 -1.085 16.014 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.691 -0.162 15.172 1.00 0.00 C ATOM 1686 CD PRO A 113 -17.023 -0.417 13.710 1.00 0.00 C ATOM 0 HA PRO A 113 -18.829 -2.670 15.281 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.999 -0.548 16.853 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.965 -1.899 16.433 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.881 0.880 15.430 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.634 -0.350 15.362 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -17.326 0.501 13.207 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -16.160 -0.807 13.170 1.00 0.00 H new