USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 585 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 65 SER OG : rot 180:sc= -1.26 USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -2.75! USER MOD Single : A 16 THR OG1 : rot 180:sc= -3.11! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc=-0.00971 K(o=-0.0097,f=-1) USER MOD Single : A 21 ASN :FLIP amide:sc= -2.06 F(o=-2.6!,f=-2.1) USER MOD Single : A 23 MET CE :methyl -113:sc= -1.88 (180deg=-5.79!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.148 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -155:sc= -0.0906 (180deg=-0.435) USER MOD Single : A 44 SER OG : rot 180:sc= -1.18 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0.0703 X(o=0.07,f=-0.1) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -2.89! C(o=-2.9!,f=-4.1!) USER MOD Single : A 83 MET CE :methyl -126:sc= -6.51! (180deg=-13.4!) USER MOD Single : A 84 THR OG1 : rot 85:sc= 0.117 USER MOD Single : A 86 THR OG1 : rot -130:sc= -0.75 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.45 USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.39! USER MOD ----------------------------------------------------------------- ATOM 153 N GLU A 11 -3.916 -5.818 -7.323 1.00 0.00 N ATOM 154 CA GLU A 11 -4.142 -4.692 -8.212 1.00 0.00 C ATOM 155 C GLU A 11 -3.216 -3.530 -7.844 1.00 0.00 C ATOM 156 O GLU A 11 -2.794 -3.409 -6.695 1.00 0.00 O ATOM 157 CB GLU A 11 -5.607 -4.253 -8.180 1.00 0.00 C ATOM 158 CG GLU A 11 -6.092 -3.856 -9.576 1.00 0.00 C ATOM 159 CD GLU A 11 -7.475 -3.203 -9.511 1.00 0.00 C ATOM 160 OE1 GLU A 11 -8.455 -3.965 -9.368 1.00 0.00 O ATOM 161 OE2 GLU A 11 -7.519 -1.958 -9.604 1.00 0.00 O ATOM 0 HA GLU A 11 -3.912 -5.008 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.225 -5.064 -7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.723 -3.411 -7.498 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.381 -3.165 -10.029 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.132 -4.738 -10.215 1.00 0.00 H new ATOM 168 N ILE A 12 -2.925 -2.708 -8.842 1.00 0.00 N ATOM 169 CA ILE A 12 -2.055 -1.563 -8.637 1.00 0.00 C ATOM 170 C ILE A 12 -2.898 -0.360 -8.209 1.00 0.00 C ATOM 171 O ILE A 12 -3.670 0.176 -9.002 1.00 0.00 O ATOM 172 CB ILE A 12 -1.207 -1.306 -9.884 1.00 0.00 C ATOM 173 CG1 ILE A 12 -0.121 -0.264 -9.603 1.00 0.00 C ATOM 174 CG2 ILE A 12 -2.084 -0.912 -11.074 1.00 0.00 C ATOM 175 CD1 ILE A 12 1.255 -0.776 -10.037 1.00 0.00 C ATOM 0 H ILE A 12 -3.276 -2.812 -9.794 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.347 -1.760 -7.832 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.703 -2.235 -10.150 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.353 0.660 -10.132 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.106 -0.027 -8.539 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.455 -0.735 -11.947 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.787 -1.717 -11.290 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.636 -0.003 -10.834 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.009 -0.017 -9.827 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.494 -1.687 -9.488 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.243 -0.989 -11.106 1.00 0.00 H new ATOM 187 N ILE A 13 -2.719 0.030 -6.954 1.00 0.00 N ATOM 188 CA ILE A 13 -3.453 1.160 -6.411 1.00 0.00 C ATOM 189 C ILE A 13 -2.556 2.400 -6.425 1.00 0.00 C ATOM 190 O ILE A 13 -1.361 2.309 -6.141 1.00 0.00 O ATOM 191 CB ILE A 13 -4.012 0.821 -5.028 1.00 0.00 C ATOM 192 CG1 ILE A 13 -4.189 -0.689 -4.863 1.00 0.00 C ATOM 193 CG2 ILE A 13 -5.311 1.584 -4.759 1.00 0.00 C ATOM 194 CD1 ILE A 13 -5.077 -1.260 -5.972 1.00 0.00 C ATOM 0 H ILE A 13 -2.077 -0.416 -6.299 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.319 1.386 -7.033 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.289 1.144 -4.279 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.215 -1.178 -4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.632 -0.903 -3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.687 1.325 -3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.119 2.656 -4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.053 1.315 -5.511 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.187 -2.335 -5.832 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.058 -0.786 -5.933 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.619 -1.065 -6.942 1.00 0.00 H new ATOM 206 N THR A 14 -3.165 3.528 -6.757 1.00 0.00 N ATOM 207 CA THR A 14 -2.436 4.784 -6.813 1.00 0.00 C ATOM 208 C THR A 14 -3.017 5.783 -5.808 1.00 0.00 C ATOM 209 O THR A 14 -4.121 6.288 -5.997 1.00 0.00 O ATOM 210 CB THR A 14 -2.468 5.288 -8.257 1.00 0.00 C ATOM 211 OG1 THR A 14 -1.493 4.492 -8.924 1.00 0.00 O ATOM 212 CG2 THR A 14 -1.939 6.717 -8.391 1.00 0.00 C ATOM 0 H THR A 14 -4.155 3.599 -6.990 1.00 0.00 H new ATOM 0 HA THR A 14 -1.394 4.648 -6.525 1.00 0.00 H new ATOM 0 HB THR A 14 -3.490 5.243 -8.634 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.449 4.751 -9.868 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.984 7.025 -9.436 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.550 7.389 -7.788 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.906 6.757 -8.045 1.00 0.00 H new ATOM 220 N VAL A 15 -2.245 6.035 -4.761 1.00 0.00 N ATOM 221 CA VAL A 15 -2.669 6.963 -3.726 1.00 0.00 C ATOM 222 C VAL A 15 -1.883 8.269 -3.865 1.00 0.00 C ATOM 223 O VAL A 15 -0.689 8.312 -3.575 1.00 0.00 O ATOM 224 CB VAL A 15 -2.516 6.317 -2.349 1.00 0.00 C ATOM 225 CG1 VAL A 15 -3.766 6.538 -1.496 1.00 0.00 C ATOM 226 CG2 VAL A 15 -2.195 4.826 -2.474 1.00 0.00 C ATOM 0 H VAL A 15 -1.329 5.613 -4.607 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.726 7.206 -3.840 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.678 6.799 -1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.630 6.068 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.931 7.607 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.629 6.097 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.091 4.392 -1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.002 4.324 -3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.263 4.699 -3.024 1.00 0.00 H new ATOM 236 N THR A 16 -2.586 9.301 -4.308 1.00 0.00 N ATOM 237 CA THR A 16 -1.968 10.604 -4.489 1.00 0.00 C ATOM 238 C THR A 16 -2.187 11.473 -3.250 1.00 0.00 C ATOM 239 O THR A 16 -3.139 11.265 -2.500 1.00 0.00 O ATOM 240 CB THR A 16 -2.535 11.221 -5.770 1.00 0.00 C ATOM 241 OG1 THR A 16 -1.648 10.773 -6.792 1.00 0.00 O ATOM 242 CG2 THR A 16 -2.393 12.745 -5.798 1.00 0.00 C ATOM 0 H THR A 16 -3.577 9.262 -4.547 1.00 0.00 H new ATOM 0 HA THR A 16 -0.887 10.518 -4.602 1.00 0.00 H new ATOM 0 HB THR A 16 -3.587 10.952 -5.868 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.942 11.125 -7.658 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.811 13.132 -6.727 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.929 13.176 -4.952 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.338 13.013 -5.734 1.00 0.00 H new ATOM 250 N LEU A 17 -1.286 12.431 -3.072 1.00 0.00 N ATOM 251 CA LEU A 17 -1.368 13.332 -1.936 1.00 0.00 C ATOM 252 C LEU A 17 -2.073 14.621 -2.363 1.00 0.00 C ATOM 253 O LEU A 17 -1.514 15.420 -3.110 1.00 0.00 O ATOM 254 CB LEU A 17 0.020 13.561 -1.333 1.00 0.00 C ATOM 255 CG LEU A 17 0.510 12.493 -0.354 1.00 0.00 C ATOM 256 CD1 LEU A 17 1.148 13.133 0.880 1.00 0.00 C ATOM 257 CD2 LEU A 17 -0.619 11.530 0.019 1.00 0.00 C ATOM 0 H LEU A 17 -0.497 12.601 -3.696 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.967 12.889 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.740 13.637 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.017 14.522 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 17 1.283 11.905 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.488 12.352 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.998 13.744 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.414 13.760 1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.243 10.781 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.432 12.086 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.988 11.036 -0.880 1.00 0.00 H new ATOM 269 N LYS A 18 -3.293 14.781 -1.868 1.00 0.00 N ATOM 270 CA LYS A 18 -4.080 15.959 -2.188 1.00 0.00 C ATOM 271 C LYS A 18 -3.875 17.017 -1.103 1.00 0.00 C ATOM 272 O LYS A 18 -3.612 18.180 -1.405 1.00 0.00 O ATOM 273 CB LYS A 18 -5.546 15.580 -2.408 1.00 0.00 C ATOM 274 CG LYS A 18 -6.327 16.740 -3.028 1.00 0.00 C ATOM 275 CD LYS A 18 -6.662 16.455 -4.493 1.00 0.00 C ATOM 276 CE LYS A 18 -6.045 17.513 -5.412 1.00 0.00 C ATOM 277 NZ LYS A 18 -7.032 17.962 -6.420 1.00 0.00 N ATOM 0 H LYS A 18 -3.754 14.115 -1.249 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.743 16.397 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.606 14.708 -3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.999 15.299 -1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.247 16.905 -2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.741 17.656 -2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.292 15.468 -4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.744 16.439 -4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.707 18.364 -4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.167 17.103 -5.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.598 18.679 -7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.335 17.150 -6.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.858 18.372 -5.939 1.00 0.00 H new ATOM 291 N LYS A 19 -4.002 16.574 0.140 1.00 0.00 N ATOM 292 CA LYS A 19 -3.834 17.469 1.274 1.00 0.00 C ATOM 293 C LYS A 19 -2.357 17.507 1.671 1.00 0.00 C ATOM 294 O LYS A 19 -1.968 18.280 2.546 1.00 0.00 O ATOM 295 CB LYS A 19 -4.769 17.067 2.417 1.00 0.00 C ATOM 296 CG LYS A 19 -4.601 18.001 3.616 1.00 0.00 C ATOM 297 CD LYS A 19 -5.716 17.783 4.640 1.00 0.00 C ATOM 298 CE LYS A 19 -5.140 17.597 6.046 1.00 0.00 C ATOM 299 NZ LYS A 19 -6.231 17.471 7.039 1.00 0.00 N ATOM 0 H LYS A 19 -4.219 15.608 0.387 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.119 18.486 1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.803 17.094 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.560 16.041 2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.633 17.827 4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.610 19.037 3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.395 18.636 4.631 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.302 16.906 4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.511 16.707 6.073 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.504 18.445 6.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.824 17.345 7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.815 18.331 7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.821 16.648 6.804 1.00 0.00 H new ATOM 313 N GLN A 20 -1.577 16.667 1.008 1.00 0.00 N ATOM 314 CA GLN A 20 -0.152 16.596 1.282 1.00 0.00 C ATOM 315 C GLN A 20 0.092 16.389 2.778 1.00 0.00 C ATOM 316 O GLN A 20 1.017 16.966 3.347 1.00 0.00 O ATOM 317 CB GLN A 20 0.566 17.850 0.778 1.00 0.00 C ATOM 318 CG GLN A 20 1.415 17.537 -0.455 1.00 0.00 C ATOM 319 CD GLN A 20 2.338 18.709 -0.797 1.00 0.00 C ATOM 320 OE1 GLN A 20 2.810 19.430 0.065 1.00 0.00 O ATOM 321 NE2 GLN A 20 2.571 18.852 -2.098 1.00 0.00 N ATOM 0 H GLN A 20 -1.904 16.030 0.282 1.00 0.00 H new ATOM 0 HA GLN A 20 0.259 15.741 0.745 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.166 18.619 0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.200 18.253 1.568 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.010 16.642 -0.274 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.765 17.322 -1.303 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.143 18.212 -2.766 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.178 19.602 -2.428 1.00 0.00 H new ATOM 330 N ASN A 21 -0.755 15.562 3.374 1.00 0.00 N ATOM 331 CA ASN A 21 -0.643 15.272 4.794 1.00 0.00 C ATOM 332 C ASN A 21 0.325 14.105 4.996 1.00 0.00 C ATOM 333 O ASN A 21 0.022 13.159 5.721 1.00 0.00 O ATOM 334 CB ASN A 21 -1.996 14.870 5.382 1.00 0.00 C ATOM 335 CG ASN A 21 -2.051 15.161 6.883 1.00 0.00 C ATOM 336 OD1 ASN A 21 -3.269 15.068 7.409 1.00 0.00 O flip ATOM 337 ND2 ASN A 21 -1.054 15.452 7.522 1.00 0.00 N flip ATOM 0 H ASN A 21 -1.521 15.084 2.900 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.285 16.171 5.295 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.793 15.413 4.874 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.171 13.808 5.207 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.148 15.506 7.057 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.126 15.641 8.522 1.00 0.00 H new ATOM 344 N GLY A 22 1.474 14.211 4.344 1.00 0.00 N ATOM 345 CA GLY A 22 2.490 13.176 4.442 1.00 0.00 C ATOM 346 C GLY A 22 2.044 11.901 3.722 1.00 0.00 C ATOM 347 O GLY A 22 2.755 11.394 2.856 1.00 0.00 O ATOM 0 H GLY A 22 1.724 14.998 3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.423 13.535 4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.690 12.955 5.491 1.00 0.00 H new ATOM 351 N MET A 23 0.873 11.420 4.109 1.00 0.00 N ATOM 352 CA MET A 23 0.325 10.214 3.512 1.00 0.00 C ATOM 353 C MET A 23 -0.720 9.574 4.427 1.00 0.00 C ATOM 354 O MET A 23 -1.912 9.595 4.124 1.00 0.00 O ATOM 355 CB MET A 23 1.455 9.215 3.251 1.00 0.00 C ATOM 356 CG MET A 23 1.850 9.208 1.774 1.00 0.00 C ATOM 357 SD MET A 23 3.623 9.069 1.618 1.00 0.00 S ATOM 358 CE MET A 23 3.858 7.407 2.227 1.00 0.00 C ATOM 0 H MET A 23 0.288 11.843 4.829 1.00 0.00 H new ATOM 0 HA MET A 23 -0.159 10.484 2.573 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.321 9.472 3.861 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.139 8.216 3.551 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.365 8.376 1.263 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.505 10.123 1.292 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.405 7.439 3.169 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.887 6.937 2.386 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.425 6.829 1.497 1.00 0.00 H new ATOM 368 N GLY A 24 -0.237 9.024 5.530 1.00 0.00 N ATOM 369 CA GLY A 24 -1.115 8.380 6.493 1.00 0.00 C ATOM 370 C GLY A 24 -1.522 6.983 6.015 1.00 0.00 C ATOM 371 O GLY A 24 -2.690 6.742 5.714 1.00 0.00 O ATOM 0 H GLY A 24 0.752 9.011 5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.612 8.306 7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.005 8.990 6.644 1.00 0.00 H new ATOM 375 N LEU A 25 -0.537 6.099 5.963 1.00 0.00 N ATOM 376 CA LEU A 25 -0.776 4.736 5.528 1.00 0.00 C ATOM 377 C LEU A 25 -0.109 3.767 6.507 1.00 0.00 C ATOM 378 O LEU A 25 0.786 4.156 7.258 1.00 0.00 O ATOM 379 CB LEU A 25 -0.327 4.548 4.078 1.00 0.00 C ATOM 380 CG LEU A 25 -1.313 5.017 3.005 1.00 0.00 C ATOM 381 CD1 LEU A 25 -0.813 4.652 1.606 1.00 0.00 C ATOM 382 CD2 LEU A 25 -2.716 4.469 3.273 1.00 0.00 C ATOM 0 H LEU A 25 0.430 6.302 6.216 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.844 4.517 5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.613 5.081 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.121 3.490 3.916 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.378 6.104 3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.531 4.996 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.151 5.129 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.702 3.570 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.397 4.817 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.688 3.379 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.064 4.820 4.245 1.00 0.00 H new ATOM 394 N SER A 26 -0.570 2.526 6.470 1.00 0.00 N ATOM 395 CA SER A 26 -0.029 1.499 7.344 1.00 0.00 C ATOM 396 C SER A 26 0.040 0.162 6.603 1.00 0.00 C ATOM 397 O SER A 26 -0.974 -0.334 6.116 1.00 0.00 O ATOM 398 CB SER A 26 -0.870 1.359 8.614 1.00 0.00 C ATOM 399 OG SER A 26 -0.091 0.929 9.726 1.00 0.00 O ATOM 0 H SER A 26 -1.313 2.208 5.848 1.00 0.00 H new ATOM 0 HA SER A 26 0.978 1.796 7.637 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.337 2.316 8.847 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.676 0.646 8.438 1.00 0.00 H new ATOM 0 HG SER A 26 -0.664 0.854 10.517 1.00 0.00 H new ATOM 405 N ILE A 27 1.247 -0.381 6.541 1.00 0.00 N ATOM 406 CA ILE A 27 1.462 -1.651 5.866 1.00 0.00 C ATOM 407 C ILE A 27 2.279 -2.573 6.774 1.00 0.00 C ATOM 408 O ILE A 27 2.810 -2.134 7.793 1.00 0.00 O ATOM 409 CB ILE A 27 2.089 -1.427 4.490 1.00 0.00 C ATOM 410 CG1 ILE A 27 3.515 -1.981 4.441 1.00 0.00 C ATOM 411 CG2 ILE A 27 2.034 0.051 4.097 1.00 0.00 C ATOM 412 CD1 ILE A 27 4.304 -1.362 3.285 1.00 0.00 C ATOM 0 H ILE A 27 2.086 0.034 6.946 1.00 0.00 H new ATOM 0 HA ILE A 27 0.511 -2.150 5.678 1.00 0.00 H new ATOM 0 HB ILE A 27 1.504 -1.978 3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.022 -1.775 5.384 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.484 -3.065 4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.486 0.183 3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.996 0.381 4.066 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.581 0.643 4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.314 -1.773 3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.808 -1.591 2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.353 -0.281 3.416 1.00 0.00 H new ATOM 424 N VAL A 28 2.355 -3.832 6.369 1.00 0.00 N ATOM 425 CA VAL A 28 3.098 -4.819 7.133 1.00 0.00 C ATOM 426 C VAL A 28 3.617 -5.904 6.187 1.00 0.00 C ATOM 427 O VAL A 28 2.860 -6.439 5.376 1.00 0.00 O ATOM 428 CB VAL A 28 2.227 -5.375 8.260 1.00 0.00 C ATOM 429 CG1 VAL A 28 2.882 -6.599 8.908 1.00 0.00 C ATOM 430 CG2 VAL A 28 1.928 -4.298 9.304 1.00 0.00 C ATOM 0 H VAL A 28 1.914 -4.191 5.522 1.00 0.00 H new ATOM 0 HA VAL A 28 3.965 -4.360 7.609 1.00 0.00 H new ATOM 0 HB VAL A 28 1.280 -5.693 7.825 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.242 -6.974 9.706 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.021 -7.377 8.158 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.850 -6.317 9.322 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.307 -4.720 10.094 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.863 -3.936 9.731 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.400 -3.470 8.831 1.00 0.00 H new ATOM 440 N ALA A 29 4.902 -6.199 6.322 1.00 0.00 N ATOM 441 CA ALA A 29 5.529 -7.211 5.490 1.00 0.00 C ATOM 442 C ALA A 29 5.940 -8.399 6.361 1.00 0.00 C ATOM 443 O ALA A 29 6.389 -8.218 7.491 1.00 0.00 O ATOM 444 CB ALA A 29 6.716 -6.595 4.745 1.00 0.00 C ATOM 0 H ALA A 29 5.526 -5.754 6.996 1.00 0.00 H new ATOM 0 HA ALA A 29 4.829 -7.580 4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.187 -7.354 4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.366 -5.775 4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.441 -6.217 5.466 1.00 0.00 H new ATOM 450 N ALA A 30 5.771 -9.588 5.802 1.00 0.00 N ATOM 451 CA ALA A 30 6.119 -10.806 6.513 1.00 0.00 C ATOM 452 C ALA A 30 7.176 -11.573 5.718 1.00 0.00 C ATOM 453 O ALA A 30 7.104 -11.646 4.492 1.00 0.00 O ATOM 454 CB ALA A 30 4.855 -11.635 6.755 1.00 0.00 C ATOM 0 H ALA A 30 5.397 -9.734 4.864 1.00 0.00 H new ATOM 0 HA ALA A 30 6.547 -10.572 7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.116 -12.549 7.288 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.149 -11.056 7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.399 -11.891 5.799 1.00 0.00 H new ATOM 576 N GLY A 39 5.313 -11.696 2.122 1.00 0.00 N ATOM 577 CA GLY A 39 3.938 -11.280 1.919 1.00 0.00 C ATOM 578 C GLY A 39 3.668 -9.928 2.584 1.00 0.00 C ATOM 579 O GLY A 39 3.680 -9.823 3.811 1.00 0.00 O ATOM 0 HA2 GLY A 39 3.729 -11.212 0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.263 -12.032 2.329 1.00 0.00 H new ATOM 583 N ILE A 40 3.435 -8.929 1.747 1.00 0.00 N ATOM 584 CA ILE A 40 3.166 -7.588 2.239 1.00 0.00 C ATOM 585 C ILE A 40 1.653 -7.377 2.329 1.00 0.00 C ATOM 586 O ILE A 40 0.896 -7.952 1.550 1.00 0.00 O ATOM 587 CB ILE A 40 3.881 -6.546 1.375 1.00 0.00 C ATOM 588 CG1 ILE A 40 5.171 -7.119 0.783 1.00 0.00 C ATOM 589 CG2 ILE A 40 4.134 -5.260 2.165 1.00 0.00 C ATOM 590 CD1 ILE A 40 5.453 -6.521 -0.597 1.00 0.00 C ATOM 0 H ILE A 40 3.427 -9.020 0.731 1.00 0.00 H new ATOM 0 HA ILE A 40 3.567 -7.464 3.245 1.00 0.00 H new ATOM 0 HB ILE A 40 3.230 -6.288 0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.006 -6.910 1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.089 -8.203 0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.643 -4.536 1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.183 -4.845 2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.757 -5.482 3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.375 -6.945 -0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.627 -6.752 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.558 -5.440 -0.510 1.00 0.00 H new ATOM 602 N TYR A 41 1.261 -6.552 3.288 1.00 0.00 N ATOM 603 CA TYR A 41 -0.148 -6.257 3.489 1.00 0.00 C ATOM 604 C TYR A 41 -0.343 -4.826 3.993 1.00 0.00 C ATOM 605 O TYR A 41 0.624 -4.150 4.346 1.00 0.00 O ATOM 606 CB TYR A 41 -0.632 -7.234 4.565 1.00 0.00 C ATOM 607 CG TYR A 41 -0.320 -8.700 4.260 1.00 0.00 C ATOM 608 CD1 TYR A 41 -1.014 -9.362 3.268 1.00 0.00 C ATOM 609 CD2 TYR A 41 0.657 -9.360 4.979 1.00 0.00 C ATOM 610 CE1 TYR A 41 -0.718 -10.743 2.982 1.00 0.00 C ATOM 611 CE2 TYR A 41 0.952 -10.739 4.691 1.00 0.00 C ATOM 612 CZ TYR A 41 0.251 -11.363 3.707 1.00 0.00 C ATOM 613 OH TYR A 41 0.527 -12.666 3.437 1.00 0.00 O ATOM 0 H TYR A 41 1.893 -6.079 3.934 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.699 -6.356 2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.174 -6.966 5.517 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.709 -7.120 4.687 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.778 -8.846 2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.199 -8.842 5.756 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.254 -11.274 2.209 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.714 -11.267 5.245 1.00 0.00 H new ATOM 0 HH TYR A 41 1.241 -12.979 4.031 1.00 0.00 H new ATOM 623 N VAL A 42 -1.599 -4.404 4.010 1.00 0.00 N ATOM 624 CA VAL A 42 -1.933 -3.065 4.465 1.00 0.00 C ATOM 625 C VAL A 42 -2.593 -3.147 5.843 1.00 0.00 C ATOM 626 O VAL A 42 -3.619 -3.808 6.006 1.00 0.00 O ATOM 627 CB VAL A 42 -2.809 -2.363 3.425 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.393 -1.065 3.987 1.00 0.00 C ATOM 629 CG2 VAL A 42 -2.024 -2.099 2.138 1.00 0.00 C ATOM 0 H VAL A 42 -2.398 -4.966 3.716 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.031 -2.463 4.572 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.639 -3.026 3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.011 -0.586 3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.002 -1.289 4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.582 -0.394 4.271 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.668 -1.599 1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.166 -1.464 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.678 -3.045 1.722 1.00 0.00 H new ATOM 639 N LYS A 43 -1.978 -2.470 6.800 1.00 0.00 N ATOM 640 CA LYS A 43 -2.492 -2.459 8.159 1.00 0.00 C ATOM 641 C LYS A 43 -3.744 -1.580 8.218 1.00 0.00 C ATOM 642 O LYS A 43 -4.745 -1.960 8.823 1.00 0.00 O ATOM 643 CB LYS A 43 -1.399 -2.038 9.143 1.00 0.00 C ATOM 644 CG LYS A 43 -1.985 -1.762 10.530 1.00 0.00 C ATOM 645 CD LYS A 43 -2.447 -3.058 11.197 1.00 0.00 C ATOM 646 CE LYS A 43 -2.400 -2.938 12.722 1.00 0.00 C ATOM 647 NZ LYS A 43 -0.999 -2.855 13.193 1.00 0.00 N ATOM 0 H LYS A 43 -1.127 -1.924 6.662 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.791 -3.463 8.461 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.646 -2.823 9.212 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.896 -1.145 8.773 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.237 -1.274 11.154 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.826 -1.074 10.443 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.463 -3.293 10.878 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.813 -3.883 10.874 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.950 -2.052 13.040 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.892 -3.798 13.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.942 -3.193 14.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.394 -3.446 12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.675 -1.868 13.147 1.00 0.00 H new ATOM 661 N SER A 44 -3.645 -0.421 7.581 1.00 0.00 N ATOM 662 CA SER A 44 -4.757 0.513 7.554 1.00 0.00 C ATOM 663 C SER A 44 -4.242 1.929 7.285 1.00 0.00 C ATOM 664 O SER A 44 -3.036 2.157 7.238 1.00 0.00 O ATOM 665 CB SER A 44 -5.541 0.476 8.868 1.00 0.00 C ATOM 666 OG SER A 44 -4.686 0.325 9.997 1.00 0.00 O ATOM 0 H SER A 44 -2.813 -0.109 7.081 1.00 0.00 H new ATOM 0 HA SER A 44 -5.432 0.218 6.751 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.118 1.395 8.971 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.254 -0.348 8.841 1.00 0.00 H new ATOM 0 HG SER A 44 -5.225 0.307 10.815 1.00 0.00 H new ATOM 672 N VAL A 45 -5.187 2.844 7.114 1.00 0.00 N ATOM 673 CA VAL A 45 -4.844 4.232 6.850 1.00 0.00 C ATOM 674 C VAL A 45 -4.830 5.010 8.167 1.00 0.00 C ATOM 675 O VAL A 45 -5.718 4.841 9.001 1.00 0.00 O ATOM 676 CB VAL A 45 -5.807 4.821 5.818 1.00 0.00 C ATOM 677 CG1 VAL A 45 -5.878 3.941 4.568 1.00 0.00 C ATOM 678 CG2 VAL A 45 -7.198 5.028 6.423 1.00 0.00 C ATOM 0 H VAL A 45 -6.188 2.651 7.153 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.845 4.303 6.421 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.422 5.796 5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.570 4.383 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.888 3.867 4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.227 2.946 4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.864 5.448 5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.593 4.071 6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.129 5.713 7.268 1.00 0.00 H new ATOM 688 N VAL A 46 -3.811 5.842 8.314 1.00 0.00 N ATOM 689 CA VAL A 46 -3.670 6.646 9.517 1.00 0.00 C ATOM 690 C VAL A 46 -5.033 7.221 9.905 1.00 0.00 C ATOM 691 O VAL A 46 -5.292 7.474 11.080 1.00 0.00 O ATOM 692 CB VAL A 46 -2.606 7.725 9.303 1.00 0.00 C ATOM 693 CG1 VAL A 46 -2.822 8.904 10.253 1.00 0.00 C ATOM 694 CG2 VAL A 46 -1.197 7.146 9.461 1.00 0.00 C ATOM 0 H VAL A 46 -3.075 5.978 7.621 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.328 6.030 10.349 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.705 8.094 8.282 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.052 9.656 10.080 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.804 9.341 10.073 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.764 8.556 11.284 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.460 7.934 9.304 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.082 6.737 10.465 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.044 6.355 8.727 1.00 0.00 H new ATOM 704 N LYS A 47 -5.868 7.408 8.894 1.00 0.00 N ATOM 705 CA LYS A 47 -7.200 7.948 9.116 1.00 0.00 C ATOM 706 C LYS A 47 -7.120 9.474 9.198 1.00 0.00 C ATOM 707 O LYS A 47 -8.107 10.135 9.518 1.00 0.00 O ATOM 708 CB LYS A 47 -7.845 7.300 10.341 1.00 0.00 C ATOM 709 CG LYS A 47 -7.692 8.188 11.578 1.00 0.00 C ATOM 710 CD LYS A 47 -9.000 8.915 11.895 1.00 0.00 C ATOM 711 CE LYS A 47 -8.756 10.094 12.838 1.00 0.00 C ATOM 712 NZ LYS A 47 -8.442 9.614 14.203 1.00 0.00 N ATOM 0 H LYS A 47 -5.650 7.196 7.920 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.853 7.707 8.277 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.902 7.120 10.147 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.386 6.329 10.527 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.393 7.580 12.432 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.898 8.916 11.412 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.455 9.272 10.971 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.706 8.220 12.351 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.933 10.703 12.463 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.639 10.733 12.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.280 10.429 14.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.239 9.053 14.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.587 9.023 14.175 1.00 0.00 H new ATOM 726 N GLY A 48 -5.935 9.989 8.904 1.00 0.00 N ATOM 727 CA GLY A 48 -5.713 11.425 8.943 1.00 0.00 C ATOM 728 C GLY A 48 -4.626 11.838 7.947 1.00 0.00 C ATOM 729 O GLY A 48 -3.849 12.753 8.214 1.00 0.00 O ATOM 0 H GLY A 48 -5.119 9.438 8.638 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.641 11.947 8.711 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.422 11.725 9.950 1.00 0.00 H new ATOM 733 N GLY A 49 -4.608 11.142 6.819 1.00 0.00 N ATOM 734 CA GLY A 49 -3.630 11.426 5.782 1.00 0.00 C ATOM 735 C GLY A 49 -4.315 11.851 4.484 1.00 0.00 C ATOM 736 O GLY A 49 -5.534 11.754 4.360 1.00 0.00 O ATOM 0 H GLY A 49 -5.254 10.383 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.958 12.215 6.118 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.019 10.542 5.602 1.00 0.00 H new ATOM 740 N ALA A 50 -3.500 12.314 3.546 1.00 0.00 N ATOM 741 CA ALA A 50 -4.013 12.754 2.260 1.00 0.00 C ATOM 742 C ALA A 50 -4.464 11.537 1.450 1.00 0.00 C ATOM 743 O ALA A 50 -5.598 11.488 0.974 1.00 0.00 O ATOM 744 CB ALA A 50 -2.942 13.572 1.535 1.00 0.00 C ATOM 0 H ALA A 50 -2.489 12.394 3.652 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.881 13.399 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.327 13.902 0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.679 14.442 2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.056 12.956 1.381 1.00 0.00 H new ATOM 750 N ALA A 51 -3.554 10.583 1.320 1.00 0.00 N ATOM 751 CA ALA A 51 -3.842 9.369 0.577 1.00 0.00 C ATOM 752 C ALA A 51 -4.702 8.441 1.439 1.00 0.00 C ATOM 753 O ALA A 51 -5.195 7.423 0.958 1.00 0.00 O ATOM 754 CB ALA A 51 -2.532 8.712 0.142 1.00 0.00 C ATOM 0 H ALA A 51 -2.616 10.627 1.717 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.407 9.598 -0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.749 7.801 -0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.973 9.400 -0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.939 8.466 1.022 1.00 0.00 H new ATOM 760 N ASP A 52 -4.854 8.826 2.696 1.00 0.00 N ATOM 761 CA ASP A 52 -5.645 8.043 3.629 1.00 0.00 C ATOM 762 C ASP A 52 -7.130 8.340 3.409 1.00 0.00 C ATOM 763 O ASP A 52 -7.929 7.424 3.229 1.00 0.00 O ATOM 764 CB ASP A 52 -5.302 8.399 5.078 1.00 0.00 C ATOM 765 CG ASP A 52 -6.508 8.573 6.004 1.00 0.00 C ATOM 766 OD1 ASP A 52 -7.273 7.594 6.129 1.00 0.00 O ATOM 767 OD2 ASP A 52 -6.636 9.683 6.563 1.00 0.00 O ATOM 0 H ASP A 52 -4.442 9.671 3.091 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.425 6.990 3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.659 7.619 5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.723 9.323 5.082 1.00 0.00 H new ATOM 772 N VAL A 53 -7.452 9.625 3.429 1.00 0.00 N ATOM 773 CA VAL A 53 -8.826 10.054 3.233 1.00 0.00 C ATOM 774 C VAL A 53 -9.143 10.067 1.736 1.00 0.00 C ATOM 775 O VAL A 53 -10.274 9.797 1.334 1.00 0.00 O ATOM 776 CB VAL A 53 -9.052 11.410 3.903 1.00 0.00 C ATOM 777 CG1 VAL A 53 -10.518 11.837 3.801 1.00 0.00 C ATOM 778 CG2 VAL A 53 -8.590 11.384 5.362 1.00 0.00 C ATOM 0 H VAL A 53 -6.785 10.383 3.578 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.515 9.354 3.706 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.451 12.149 3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.650 12.804 4.286 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.802 11.915 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.148 11.096 4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.762 12.360 5.815 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.152 10.626 5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.527 11.147 5.403 1.00 0.00 H new ATOM 788 N ASP A 54 -8.125 10.385 0.951 1.00 0.00 N ATOM 789 CA ASP A 54 -8.280 10.437 -0.493 1.00 0.00 C ATOM 790 C ASP A 54 -8.239 9.015 -1.058 1.00 0.00 C ATOM 791 O ASP A 54 -9.123 8.616 -1.812 1.00 0.00 O ATOM 792 CB ASP A 54 -7.149 11.238 -1.141 1.00 0.00 C ATOM 793 CG ASP A 54 -7.334 11.528 -2.632 1.00 0.00 C ATOM 794 OD1 ASP A 54 -8.152 10.815 -3.251 1.00 0.00 O ATOM 795 OD2 ASP A 54 -6.652 12.456 -3.117 1.00 0.00 O ATOM 0 H ASP A 54 -7.189 10.610 1.288 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.233 10.919 -0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.046 12.185 -0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.214 10.694 -1.005 1.00 0.00 H new ATOM 800 N GLY A 55 -7.198 8.290 -0.670 1.00 0.00 N ATOM 801 CA GLY A 55 -7.028 6.923 -1.130 1.00 0.00 C ATOM 802 C GLY A 55 -8.140 6.021 -0.589 1.00 0.00 C ATOM 803 O GLY A 55 -8.749 5.260 -1.339 1.00 0.00 O ATOM 0 H GLY A 55 -6.466 8.624 -0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.033 6.899 -2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.058 6.545 -0.807 1.00 0.00 H new ATOM 807 N ARG A 56 -8.372 6.135 0.712 1.00 0.00 N ATOM 808 CA ARG A 56 -9.399 5.339 1.362 1.00 0.00 C ATOM 809 C ARG A 56 -9.161 3.851 1.104 1.00 0.00 C ATOM 810 O ARG A 56 -10.093 3.117 0.778 1.00 0.00 O ATOM 811 CB ARG A 56 -10.792 5.723 0.859 1.00 0.00 C ATOM 812 CG ARG A 56 -11.881 5.045 1.694 1.00 0.00 C ATOM 813 CD ARG A 56 -12.575 6.054 2.611 1.00 0.00 C ATOM 814 NE ARG A 56 -13.262 5.345 3.714 1.00 0.00 N ATOM 815 CZ ARG A 56 -13.724 5.945 4.819 1.00 0.00 C ATOM 816 NH1 ARG A 56 -13.575 7.268 4.978 1.00 0.00 N ATOM 817 NH2 ARG A 56 -14.335 5.224 5.769 1.00 0.00 N ATOM 0 H ARG A 56 -7.866 6.767 1.332 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.345 5.537 2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.914 6.805 0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.898 5.434 -0.187 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.615 4.582 1.034 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.442 4.246 2.292 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.843 6.753 3.017 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.295 6.641 2.041 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.392 4.337 3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.109 7.819 4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.927 7.723 5.820 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.449 4.217 5.651 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.686 5.682 6.610 1.00 0.00 H new ATOM 831 N LEU A 57 -7.907 3.449 1.256 1.00 0.00 N ATOM 832 CA LEU A 57 -7.534 2.061 1.041 1.00 0.00 C ATOM 833 C LEU A 57 -8.132 1.199 2.157 1.00 0.00 C ATOM 834 O LEU A 57 -8.344 1.679 3.271 1.00 0.00 O ATOM 835 CB LEU A 57 -6.018 1.928 0.906 1.00 0.00 C ATOM 836 CG LEU A 57 -5.392 2.599 -0.318 1.00 0.00 C ATOM 837 CD1 LEU A 57 -3.876 2.735 -0.154 1.00 0.00 C ATOM 838 CD2 LEU A 57 -5.767 1.857 -1.602 1.00 0.00 C ATOM 0 H LEU A 57 -7.137 4.061 1.526 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.946 1.697 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.556 2.345 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.767 0.868 0.882 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.798 3.607 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.456 3.215 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.658 3.340 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.433 1.746 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.309 2.355 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.409 0.829 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.851 1.858 -1.719 1.00 0.00 H new ATOM 850 N ALA A 58 -8.385 -0.057 1.821 1.00 0.00 N ATOM 851 CA ALA A 58 -8.952 -0.988 2.781 1.00 0.00 C ATOM 852 C ALA A 58 -7.836 -1.536 3.673 1.00 0.00 C ATOM 853 O ALA A 58 -6.703 -1.703 3.225 1.00 0.00 O ATOM 854 CB ALA A 58 -9.701 -2.095 2.038 1.00 0.00 C ATOM 0 H ALA A 58 -8.208 -0.452 0.897 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.672 -0.484 3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.126 -2.793 2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.501 -1.656 1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.010 -2.626 1.383 1.00 0.00 H new ATOM 860 N ALA A 59 -8.196 -1.802 4.921 1.00 0.00 N ATOM 861 CA ALA A 59 -7.240 -2.326 5.880 1.00 0.00 C ATOM 862 C ALA A 59 -7.247 -3.855 5.816 1.00 0.00 C ATOM 863 O ALA A 59 -8.262 -4.487 6.112 1.00 0.00 O ATOM 864 CB ALA A 59 -7.575 -1.800 7.277 1.00 0.00 C ATOM 0 H ALA A 59 -9.137 -1.664 5.289 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.232 -1.989 5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.857 -2.194 7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.528 -0.711 7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.579 -2.120 7.555 1.00 0.00 H new ATOM 870 N GLY A 60 -6.107 -4.406 5.428 1.00 0.00 N ATOM 871 CA GLY A 60 -5.971 -5.849 5.321 1.00 0.00 C ATOM 872 C GLY A 60 -5.631 -6.263 3.887 1.00 0.00 C ATOM 873 O GLY A 60 -5.768 -7.430 3.527 1.00 0.00 O ATOM 0 H GLY A 60 -5.268 -3.879 5.184 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.190 -6.195 5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.899 -6.329 5.632 1.00 0.00 H new ATOM 877 N ASP A 61 -5.197 -5.282 3.110 1.00 0.00 N ATOM 878 CA ASP A 61 -4.839 -5.530 1.723 1.00 0.00 C ATOM 879 C ASP A 61 -3.509 -6.283 1.672 1.00 0.00 C ATOM 880 O ASP A 61 -2.806 -6.379 2.678 1.00 0.00 O ATOM 881 CB ASP A 61 -4.671 -4.218 0.954 1.00 0.00 C ATOM 882 CG ASP A 61 -5.832 -3.231 1.097 1.00 0.00 C ATOM 883 OD1 ASP A 61 -6.984 -3.714 1.139 1.00 0.00 O ATOM 884 OD2 ASP A 61 -5.540 -2.019 1.160 1.00 0.00 O ATOM 0 H ASP A 61 -5.085 -4.315 3.414 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.638 -6.114 1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.756 -3.731 1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.538 -4.448 -0.103 1.00 0.00 H new ATOM 889 N GLN A 62 -3.201 -6.796 0.490 1.00 0.00 N ATOM 890 CA GLN A 62 -1.967 -7.537 0.294 1.00 0.00 C ATOM 891 C GLN A 62 -1.079 -6.829 -0.731 1.00 0.00 C ATOM 892 O GLN A 62 -1.367 -6.852 -1.928 1.00 0.00 O ATOM 893 CB GLN A 62 -2.253 -8.979 -0.129 1.00 0.00 C ATOM 894 CG GLN A 62 -0.954 -9.734 -0.419 1.00 0.00 C ATOM 895 CD GLN A 62 -1.046 -10.498 -1.741 1.00 0.00 C ATOM 896 OE1 GLN A 62 -0.771 -11.684 -1.822 1.00 0.00 O ATOM 897 NE2 GLN A 62 -1.451 -9.757 -2.767 1.00 0.00 N ATOM 0 H GLN A 62 -3.785 -6.713 -0.342 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.433 -7.572 1.244 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.806 -9.490 0.659 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.886 -8.983 -1.017 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.122 -9.031 -0.459 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.745 -10.430 0.393 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.665 -8.769 -2.630 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.548 -10.176 -3.692 1.00 0.00 H new ATOM 906 N LEU A 63 -0.019 -6.215 -0.228 1.00 0.00 N ATOM 907 CA LEU A 63 0.912 -5.502 -1.086 1.00 0.00 C ATOM 908 C LEU A 63 1.904 -6.496 -1.692 1.00 0.00 C ATOM 909 O LEU A 63 2.170 -7.547 -1.112 1.00 0.00 O ATOM 910 CB LEU A 63 1.579 -4.359 -0.319 1.00 0.00 C ATOM 911 CG LEU A 63 2.683 -3.607 -1.065 1.00 0.00 C ATOM 912 CD1 LEU A 63 2.187 -2.243 -1.552 1.00 0.00 C ATOM 913 CD2 LEU A 63 3.941 -3.484 -0.201 1.00 0.00 C ATOM 0 H LEU A 63 0.216 -6.196 0.764 1.00 0.00 H new ATOM 0 HA LEU A 63 0.383 -5.033 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.809 -3.643 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.000 -4.762 0.602 1.00 0.00 H new ATOM 0 HG LEU A 63 2.953 -4.185 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.992 -1.730 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.343 -2.383 -2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.873 -1.644 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.711 -2.946 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.703 -2.940 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.306 -4.479 0.054 1.00 0.00 H new ATOM 925 N LEU A 64 2.424 -6.130 -2.855 1.00 0.00 N ATOM 926 CA LEU A 64 3.381 -6.977 -3.547 1.00 0.00 C ATOM 927 C LEU A 64 4.421 -6.099 -4.245 1.00 0.00 C ATOM 928 O LEU A 64 5.608 -6.424 -4.254 1.00 0.00 O ATOM 929 CB LEU A 64 2.658 -7.941 -4.491 1.00 0.00 C ATOM 930 CG LEU A 64 1.933 -9.113 -3.825 1.00 0.00 C ATOM 931 CD1 LEU A 64 1.085 -9.881 -4.842 1.00 0.00 C ATOM 932 CD2 LEU A 64 2.919 -10.026 -3.095 1.00 0.00 C ATOM 0 H LEU A 64 2.201 -5.258 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 64 3.918 -7.605 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.932 -7.373 -5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.386 -8.343 -5.196 1.00 0.00 H new ATOM 0 HG LEU A 64 1.252 -8.711 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.580 -10.709 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.342 -9.211 -5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.728 -10.271 -5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.377 -10.850 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.643 -10.423 -3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.441 -9.457 -2.326 1.00 0.00 H new ATOM 944 N SER A 65 3.940 -5.002 -4.811 1.00 0.00 N ATOM 945 CA SER A 65 4.814 -4.076 -5.509 1.00 0.00 C ATOM 946 C SER A 65 4.756 -2.699 -4.843 1.00 0.00 C ATOM 947 O SER A 65 3.891 -2.447 -4.006 1.00 0.00 O ATOM 948 CB SER A 65 4.434 -3.965 -6.987 1.00 0.00 C ATOM 949 OG SER A 65 4.270 -2.611 -7.399 1.00 0.00 O ATOM 0 H SER A 65 2.956 -4.734 -4.800 1.00 0.00 H new ATOM 0 HA SER A 65 5.833 -4.460 -5.451 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.205 -4.438 -7.595 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.508 -4.512 -7.165 1.00 0.00 H new ATOM 0 HG SER A 65 4.030 -2.585 -8.349 1.00 0.00 H new ATOM 955 N VAL A 66 5.687 -1.843 -5.241 1.00 0.00 N ATOM 956 CA VAL A 66 5.751 -0.499 -4.694 1.00 0.00 C ATOM 957 C VAL A 66 5.871 0.507 -5.838 1.00 0.00 C ATOM 958 O VAL A 66 6.094 0.126 -6.985 1.00 0.00 O ATOM 959 CB VAL A 66 6.901 -0.400 -3.687 1.00 0.00 C ATOM 960 CG1 VAL A 66 8.255 -0.414 -4.400 1.00 0.00 C ATOM 961 CG2 VAL A 66 6.755 0.846 -2.811 1.00 0.00 C ATOM 0 H VAL A 66 6.403 -2.055 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 66 4.837 -0.263 -4.149 1.00 0.00 H new ATOM 0 HB VAL A 66 6.855 -1.274 -3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.055 -0.343 -3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.361 -1.342 -4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.315 0.433 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.584 0.893 -2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.763 1.736 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.814 0.798 -2.263 1.00 0.00 H new ATOM 971 N ASP A 67 5.715 1.776 -5.487 1.00 0.00 N ATOM 972 CA ASP A 67 5.802 2.842 -6.472 1.00 0.00 C ATOM 973 C ASP A 67 7.255 2.991 -6.925 1.00 0.00 C ATOM 974 O ASP A 67 8.159 3.111 -6.100 1.00 0.00 O ATOM 975 CB ASP A 67 5.351 4.178 -5.876 1.00 0.00 C ATOM 976 CG ASP A 67 6.410 4.904 -5.045 1.00 0.00 C ATOM 977 OD1 ASP A 67 6.634 4.461 -3.899 1.00 0.00 O ATOM 978 OD2 ASP A 67 6.970 5.888 -5.573 1.00 0.00 O ATOM 0 H ASP A 67 5.529 2.090 -4.534 1.00 0.00 H new ATOM 0 HA ASP A 67 5.154 2.584 -7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.036 4.833 -6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.476 4.003 -5.250 1.00 0.00 H new ATOM 983 N GLY A 68 7.434 2.983 -8.238 1.00 0.00 N ATOM 984 CA GLY A 68 8.763 3.118 -8.813 1.00 0.00 C ATOM 985 C GLY A 68 9.504 1.781 -8.796 1.00 0.00 C ATOM 986 O GLY A 68 10.554 1.641 -9.425 1.00 0.00 O ATOM 0 H GLY A 68 6.682 2.885 -8.920 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.685 3.482 -9.837 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.332 3.861 -8.253 1.00 0.00 H new ATOM 990 N ARG A 69 8.933 0.831 -8.071 1.00 0.00 N ATOM 991 CA ARG A 69 9.527 -0.490 -7.965 1.00 0.00 C ATOM 992 C ARG A 69 8.443 -1.543 -7.724 1.00 0.00 C ATOM 993 O ARG A 69 7.908 -1.647 -6.621 1.00 0.00 O ATOM 994 CB ARG A 69 10.544 -0.547 -6.823 1.00 0.00 C ATOM 995 CG ARG A 69 11.339 0.757 -6.732 1.00 0.00 C ATOM 996 CD ARG A 69 12.433 0.660 -5.666 1.00 0.00 C ATOM 997 NE ARG A 69 13.518 -0.230 -6.135 1.00 0.00 N ATOM 998 CZ ARG A 69 14.502 -0.694 -5.351 1.00 0.00 C ATOM 999 NH1 ARG A 69 14.540 -0.356 -4.055 1.00 0.00 N ATOM 1000 NH2 ARG A 69 15.445 -1.495 -5.862 1.00 0.00 N ATOM 0 H ARG A 69 8.064 0.950 -7.551 1.00 0.00 H new ATOM 0 HA ARG A 69 10.039 -0.698 -8.904 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.028 -0.729 -5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.226 -1.383 -6.980 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.788 0.981 -7.700 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.666 1.581 -6.494 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.832 1.651 -5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.013 0.277 -4.736 1.00 0.00 H new ATOM 0 HE ARG A 69 13.517 -0.508 -7.116 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.821 0.254 -3.666 1.00 0.00 H new ATOM 0 HH12 ARG A 69 15.288 -0.708 -3.458 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.415 -1.753 -6.848 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.193 -1.847 -5.265 1.00 0.00 H new ATOM 1014 N SER A 70 8.150 -2.295 -8.775 1.00 0.00 N ATOM 1015 CA SER A 70 7.138 -3.335 -8.692 1.00 0.00 C ATOM 1016 C SER A 70 7.712 -4.568 -7.989 1.00 0.00 C ATOM 1017 O SER A 70 8.106 -5.532 -8.643 1.00 0.00 O ATOM 1018 CB SER A 70 6.618 -3.710 -10.082 1.00 0.00 C ATOM 1019 OG SER A 70 5.705 -2.742 -10.589 1.00 0.00 O ATOM 0 H SER A 70 8.595 -2.205 -9.688 1.00 0.00 H new ATOM 0 HA SER A 70 6.299 -2.951 -8.112 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.459 -3.810 -10.769 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.127 -4.682 -10.035 1.00 0.00 H new ATOM 0 HG SER A 70 5.397 -3.017 -11.478 1.00 0.00 H new ATOM 1025 N LEU A 71 7.739 -4.496 -6.666 1.00 0.00 N ATOM 1026 CA LEU A 71 8.258 -5.594 -5.868 1.00 0.00 C ATOM 1027 C LEU A 71 7.691 -6.914 -6.395 1.00 0.00 C ATOM 1028 O LEU A 71 8.439 -7.854 -6.653 1.00 0.00 O ATOM 1029 CB LEU A 71 7.979 -5.354 -4.384 1.00 0.00 C ATOM 1030 CG LEU A 71 8.715 -4.174 -3.744 1.00 0.00 C ATOM 1031 CD1 LEU A 71 8.095 -3.807 -2.394 1.00 0.00 C ATOM 1032 CD2 LEU A 71 10.214 -4.462 -3.627 1.00 0.00 C ATOM 0 H LEU A 71 7.410 -3.695 -6.127 1.00 0.00 H new ATOM 0 HA LEU A 71 9.342 -5.654 -5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.907 -5.200 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.239 -6.259 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 71 8.603 -3.307 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.637 -2.966 -1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.050 -3.531 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.156 -4.662 -1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.714 -3.608 -3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.367 -5.347 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.630 -4.636 -4.619 1.00 0.00 H new ATOM 1044 N VAL A 72 6.374 -6.940 -6.539 1.00 0.00 N ATOM 1045 CA VAL A 72 5.700 -8.129 -7.030 1.00 0.00 C ATOM 1046 C VAL A 72 5.508 -9.115 -5.876 1.00 0.00 C ATOM 1047 O VAL A 72 4.844 -10.140 -6.033 1.00 0.00 O ATOM 1048 CB VAL A 72 6.478 -8.727 -8.205 1.00 0.00 C ATOM 1049 CG1 VAL A 72 7.311 -9.928 -7.755 1.00 0.00 C ATOM 1050 CG2 VAL A 72 5.537 -9.106 -9.350 1.00 0.00 C ATOM 0 H VAL A 72 5.757 -6.157 -6.324 1.00 0.00 H new ATOM 0 HA VAL A 72 4.710 -7.876 -7.410 1.00 0.00 H new ATOM 0 HB VAL A 72 7.164 -7.966 -8.576 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.854 -10.334 -8.608 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.021 -9.613 -6.990 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.653 -10.694 -7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.115 -9.528 -10.172 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.815 -9.843 -8.999 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.010 -8.217 -9.697 1.00 0.00 H new ATOM 1060 N GLY A 73 6.103 -8.774 -4.743 1.00 0.00 N ATOM 1061 CA GLY A 73 6.007 -9.616 -3.563 1.00 0.00 C ATOM 1062 C GLY A 73 7.338 -9.661 -2.811 1.00 0.00 C ATOM 1063 O GLY A 73 7.820 -10.736 -2.460 1.00 0.00 O ATOM 0 H GLY A 73 6.654 -7.925 -4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.226 -9.237 -2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.716 -10.625 -3.855 1.00 0.00 H new ATOM 1067 N LEU A 74 7.895 -8.479 -2.586 1.00 0.00 N ATOM 1068 CA LEU A 74 9.162 -8.370 -1.884 1.00 0.00 C ATOM 1069 C LEU A 74 8.924 -7.744 -0.508 1.00 0.00 C ATOM 1070 O LEU A 74 7.802 -7.361 -0.181 1.00 0.00 O ATOM 1071 CB LEU A 74 10.184 -7.613 -2.735 1.00 0.00 C ATOM 1072 CG LEU A 74 10.457 -8.192 -4.125 1.00 0.00 C ATOM 1073 CD1 LEU A 74 11.661 -7.508 -4.775 1.00 0.00 C ATOM 1074 CD2 LEU A 74 10.622 -9.711 -4.065 1.00 0.00 C ATOM 0 H LEU A 74 7.491 -7.589 -2.878 1.00 0.00 H new ATOM 0 HA LEU A 74 9.591 -9.358 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.840 -6.585 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.126 -7.574 -2.188 1.00 0.00 H new ATOM 0 HG LEU A 74 9.592 -7.989 -4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.834 -7.937 -5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.464 -6.440 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.544 -7.658 -4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.815 -10.096 -5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.459 -9.961 -3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.710 -10.161 -3.673 1.00 0.00 H new ATOM 1086 N SER A 75 9.999 -7.662 0.262 1.00 0.00 N ATOM 1087 CA SER A 75 9.921 -7.088 1.596 1.00 0.00 C ATOM 1088 C SER A 75 9.709 -5.575 1.504 1.00 0.00 C ATOM 1089 O SER A 75 10.149 -4.940 0.547 1.00 0.00 O ATOM 1090 CB SER A 75 11.184 -7.399 2.402 1.00 0.00 C ATOM 1091 OG SER A 75 11.242 -8.766 2.800 1.00 0.00 O ATOM 0 H SER A 75 10.928 -7.983 -0.011 1.00 0.00 H new ATOM 0 HA SER A 75 9.072 -7.536 2.113 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.063 -7.158 1.805 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.215 -6.763 3.286 1.00 0.00 H new ATOM 0 HG SER A 75 12.064 -8.924 3.310 1.00 0.00 H new ATOM 1097 N GLN A 76 9.032 -5.044 2.512 1.00 0.00 N ATOM 1098 CA GLN A 76 8.755 -3.618 2.559 1.00 0.00 C ATOM 1099 C GLN A 76 10.050 -2.833 2.770 1.00 0.00 C ATOM 1100 O GLN A 76 10.093 -1.625 2.538 1.00 0.00 O ATOM 1101 CB GLN A 76 7.730 -3.293 3.645 1.00 0.00 C ATOM 1102 CG GLN A 76 8.343 -3.446 5.039 1.00 0.00 C ATOM 1103 CD GLN A 76 8.660 -2.081 5.652 1.00 0.00 C ATOM 1104 OE1 GLN A 76 9.798 -1.649 5.719 1.00 0.00 O ATOM 1105 NE2 GLN A 76 7.591 -1.426 6.096 1.00 0.00 N ATOM 0 H GLN A 76 8.667 -5.576 3.302 1.00 0.00 H new ATOM 0 HA GLN A 76 8.325 -3.319 1.603 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.366 -2.274 3.514 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.869 -3.954 3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.653 -3.988 5.686 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.254 -4.041 4.976 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.665 -1.844 6.010 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.698 -0.506 6.523 1.00 0.00 H new ATOM 1114 N GLU A 77 11.075 -3.549 3.211 1.00 0.00 N ATOM 1115 CA GLU A 77 12.367 -2.935 3.458 1.00 0.00 C ATOM 1116 C GLU A 77 12.682 -1.907 2.369 1.00 0.00 C ATOM 1117 O GLU A 77 12.564 -0.703 2.593 1.00 0.00 O ATOM 1118 CB GLU A 77 13.469 -3.992 3.550 1.00 0.00 C ATOM 1119 CG GLU A 77 13.090 -5.092 4.543 1.00 0.00 C ATOM 1120 CD GLU A 77 14.153 -5.238 5.633 1.00 0.00 C ATOM 1121 OE1 GLU A 77 15.142 -5.956 5.369 1.00 0.00 O ATOM 1122 OE2 GLU A 77 13.955 -4.627 6.706 1.00 0.00 O ATOM 0 H GLU A 77 11.035 -4.550 3.403 1.00 0.00 H new ATOM 0 HA GLU A 77 12.325 -2.419 4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.642 -4.429 2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.403 -3.523 3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.127 -4.860 4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.973 -6.039 4.015 1.00 0.00 H new ATOM 1129 N ARG A 78 13.080 -2.419 1.214 1.00 0.00 N ATOM 1130 CA ARG A 78 13.415 -1.561 0.090 1.00 0.00 C ATOM 1131 C ARG A 78 12.324 -0.508 -0.117 1.00 0.00 C ATOM 1132 O ARG A 78 12.556 0.681 0.100 1.00 0.00 O ATOM 1133 CB ARG A 78 13.576 -2.376 -1.195 1.00 0.00 C ATOM 1134 CG ARG A 78 14.534 -3.551 -0.983 1.00 0.00 C ATOM 1135 CD ARG A 78 13.811 -4.888 -1.166 1.00 0.00 C ATOM 1136 NE ARG A 78 14.785 -5.999 -1.123 1.00 0.00 N ATOM 1137 CZ ARG A 78 15.507 -6.406 -2.175 1.00 0.00 C ATOM 1138 NH1 ARG A 78 15.370 -5.795 -3.360 1.00 0.00 N ATOM 1139 NH2 ARG A 78 16.368 -7.425 -2.045 1.00 0.00 N ATOM 0 H ARG A 78 13.178 -3.418 1.032 1.00 0.00 H new ATOM 0 HA ARG A 78 14.361 -1.070 0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.604 -2.748 -1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.952 -1.735 -1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.362 -3.482 -1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.963 -3.499 0.018 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.064 -5.017 -0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.279 -4.896 -2.117 1.00 0.00 H new ATOM 0 HE ARG A 78 14.915 -6.486 -0.236 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.715 -5.019 -3.461 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.920 -6.106 -4.161 1.00 0.00 H new ATOM 0 HH21 ARG A 78 16.474 -7.891 -1.144 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.917 -7.734 -2.847 1.00 0.00 H new ATOM 1153 N ALA A 79 11.159 -0.982 -0.532 1.00 0.00 N ATOM 1154 CA ALA A 79 10.032 -0.096 -0.772 1.00 0.00 C ATOM 1155 C ALA A 79 9.895 0.874 0.405 1.00 0.00 C ATOM 1156 O ALA A 79 10.433 1.979 0.369 1.00 0.00 O ATOM 1157 CB ALA A 79 8.767 -0.927 -0.992 1.00 0.00 C ATOM 0 H ALA A 79 10.971 -1.969 -0.708 1.00 0.00 H new ATOM 0 HA ALA A 79 10.193 0.496 -1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.922 -0.263 -1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.906 -1.579 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.571 -1.532 -0.107 1.00 0.00 H new ATOM 1163 N ALA A 80 9.171 0.425 1.419 1.00 0.00 N ATOM 1164 CA ALA A 80 8.955 1.239 2.603 1.00 0.00 C ATOM 1165 C ALA A 80 9.698 2.566 2.447 1.00 0.00 C ATOM 1166 O ALA A 80 9.106 3.570 2.054 1.00 0.00 O ATOM 1167 CB ALA A 80 9.402 0.463 3.844 1.00 0.00 C ATOM 0 H ALA A 80 8.726 -0.493 1.445 1.00 0.00 H new ATOM 0 HA ALA A 80 7.896 1.467 2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.240 1.073 4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.824 -0.457 3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.461 0.220 3.759 1.00 0.00 H new ATOM 1173 N GLU A 81 10.985 2.528 2.761 1.00 0.00 N ATOM 1174 CA GLU A 81 11.815 3.716 2.659 1.00 0.00 C ATOM 1175 C GLU A 81 11.494 4.480 1.373 1.00 0.00 C ATOM 1176 O GLU A 81 10.948 5.580 1.422 1.00 0.00 O ATOM 1177 CB GLU A 81 13.301 3.354 2.725 1.00 0.00 C ATOM 1178 CG GLU A 81 14.163 4.604 2.893 1.00 0.00 C ATOM 1179 CD GLU A 81 15.569 4.243 3.379 1.00 0.00 C ATOM 1180 OE1 GLU A 81 15.681 3.878 4.569 1.00 0.00 O ATOM 1181 OE2 GLU A 81 16.498 4.337 2.548 1.00 0.00 O ATOM 0 H GLU A 81 11.473 1.693 3.086 1.00 0.00 H new ATOM 0 HA GLU A 81 11.594 4.363 3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.476 2.673 3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.591 2.827 1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 81 14.228 5.135 1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.692 5.282 3.605 1.00 0.00 H new ATOM 1188 N LEU A 82 11.849 3.866 0.254 1.00 0.00 N ATOM 1189 CA LEU A 82 11.605 4.476 -1.044 1.00 0.00 C ATOM 1190 C LEU A 82 10.108 4.417 -1.356 1.00 0.00 C ATOM 1191 O LEU A 82 9.697 4.671 -2.487 1.00 0.00 O ATOM 1192 CB LEU A 82 12.482 3.826 -2.114 1.00 0.00 C ATOM 1193 CG LEU A 82 13.403 4.769 -2.890 1.00 0.00 C ATOM 1194 CD1 LEU A 82 14.775 4.129 -3.122 1.00 0.00 C ATOM 1195 CD2 LEU A 82 12.753 5.217 -4.200 1.00 0.00 C ATOM 0 H LEU A 82 12.303 2.953 0.218 1.00 0.00 H new ATOM 0 HA LEU A 82 11.887 5.529 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.096 3.062 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.834 3.316 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 82 13.561 5.663 -2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.410 4.820 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 82 15.237 3.901 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 82 14.655 3.209 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.429 5.887 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 82 12.545 4.345 -4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.821 5.739 -3.984 1.00 0.00 H new ATOM 1207 N MET A 83 9.335 4.082 -0.333 1.00 0.00 N ATOM 1208 CA MET A 83 7.893 3.987 -0.486 1.00 0.00 C ATOM 1209 C MET A 83 7.179 5.001 0.412 1.00 0.00 C ATOM 1210 O MET A 83 5.989 5.256 0.241 1.00 0.00 O ATOM 1211 CB MET A 83 7.433 2.573 -0.125 1.00 0.00 C ATOM 1212 CG MET A 83 5.963 2.363 -0.492 1.00 0.00 C ATOM 1213 SD MET A 83 5.490 0.672 -0.177 1.00 0.00 S ATOM 1214 CE MET A 83 5.243 0.744 1.591 1.00 0.00 C ATOM 0 H MET A 83 9.680 3.873 0.604 1.00 0.00 H new ATOM 0 HA MET A 83 7.641 4.207 -1.523 1.00 0.00 H new ATOM 0 HB2 MET A 83 8.050 1.842 -0.648 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.573 2.403 0.943 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.335 3.039 0.088 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.804 2.604 -1.543 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.843 -0.028 2.074 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.546 1.723 1.961 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.190 0.580 1.818 1.00 0.00 H new ATOM 1224 N THR A 84 7.939 5.550 1.349 1.00 0.00 N ATOM 1225 CA THR A 84 7.392 6.530 2.273 1.00 0.00 C ATOM 1226 C THR A 84 7.688 7.948 1.782 1.00 0.00 C ATOM 1227 O THR A 84 6.770 8.736 1.560 1.00 0.00 O ATOM 1228 CB THR A 84 7.962 6.236 3.663 1.00 0.00 C ATOM 1229 OG1 THR A 84 8.049 4.814 3.710 1.00 0.00 O ATOM 1230 CG2 THR A 84 6.982 6.589 4.783 1.00 0.00 C ATOM 0 H THR A 84 8.926 5.336 1.488 1.00 0.00 H new ATOM 0 HA THR A 84 6.306 6.460 2.329 1.00 0.00 H new ATOM 0 HB THR A 84 8.888 6.795 3.802 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.890 4.524 3.300 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.435 6.361 5.748 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.743 7.651 4.736 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.069 6.006 4.664 1.00 0.00 H new ATOM 1238 N ARG A 85 8.974 8.231 1.627 1.00 0.00 N ATOM 1239 CA ARG A 85 9.402 9.540 1.167 1.00 0.00 C ATOM 1240 C ARG A 85 8.968 9.762 -0.284 1.00 0.00 C ATOM 1241 O ARG A 85 9.792 10.073 -1.142 1.00 0.00 O ATOM 1242 CB ARG A 85 10.921 9.690 1.265 1.00 0.00 C ATOM 1243 CG ARG A 85 11.313 11.143 1.537 1.00 0.00 C ATOM 1244 CD ARG A 85 12.746 11.420 1.082 1.00 0.00 C ATOM 1245 NE ARG A 85 13.686 11.196 2.202 1.00 0.00 N ATOM 1246 CZ ARG A 85 15.018 11.300 2.099 1.00 0.00 C ATOM 1247 NH1 ARG A 85 15.575 11.622 0.923 1.00 0.00 N ATOM 1248 NH2 ARG A 85 15.793 11.078 3.169 1.00 0.00 N ATOM 0 H ARG A 85 9.733 7.575 1.812 1.00 0.00 H new ATOM 0 HA ARG A 85 8.932 10.285 1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.302 9.052 2.062 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.384 9.352 0.338 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.627 11.812 1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.219 11.355 2.602 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.003 10.770 0.246 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.831 12.446 0.725 1.00 0.00 H new ATOM 0 HE ARG A 85 13.295 10.946 3.111 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.985 11.788 0.108 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.589 11.701 0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.369 10.830 4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.807 11.157 3.090 1.00 0.00 H new ATOM 1262 N THR A 86 7.674 9.590 -0.512 1.00 0.00 N ATOM 1263 CA THR A 86 7.121 9.767 -1.845 1.00 0.00 C ATOM 1264 C THR A 86 6.708 11.224 -2.064 1.00 0.00 C ATOM 1265 O THR A 86 7.122 11.851 -3.038 1.00 0.00 O ATOM 1266 CB THR A 86 5.964 8.778 -2.011 1.00 0.00 C ATOM 1267 OG1 THR A 86 6.606 7.512 -2.138 1.00 0.00 O ATOM 1268 CG2 THR A 86 5.228 8.957 -3.340 1.00 0.00 C ATOM 0 H THR A 86 6.993 9.330 0.202 1.00 0.00 H new ATOM 0 HA THR A 86 7.865 9.554 -2.612 1.00 0.00 H new ATOM 0 HB THR A 86 5.261 8.900 -1.187 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.251 7.042 -2.921 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.417 8.232 -3.407 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.818 9.965 -3.396 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.923 8.802 -4.165 1.00 0.00 H new ATOM 1276 N SER A 87 5.899 11.721 -1.139 1.00 0.00 N ATOM 1277 CA SER A 87 5.428 13.094 -1.219 1.00 0.00 C ATOM 1278 C SER A 87 4.381 13.224 -2.326 1.00 0.00 C ATOM 1279 O SER A 87 3.191 13.359 -2.048 1.00 0.00 O ATOM 1280 CB SER A 87 6.588 14.061 -1.468 1.00 0.00 C ATOM 1281 OG SER A 87 6.479 15.239 -0.673 1.00 0.00 O ATOM 0 H SER A 87 5.558 11.199 -0.332 1.00 0.00 H new ATOM 0 HA SER A 87 4.972 13.355 -0.264 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.531 13.561 -1.248 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.611 14.336 -2.523 1.00 0.00 H new ATOM 0 HG SER A 87 7.238 15.830 -0.859 1.00 0.00 H new ATOM 1287 N SER A 88 4.862 13.180 -3.561 1.00 0.00 N ATOM 1288 CA SER A 88 3.983 13.293 -4.712 1.00 0.00 C ATOM 1289 C SER A 88 2.812 12.316 -4.572 1.00 0.00 C ATOM 1290 O SER A 88 1.793 12.646 -3.968 1.00 0.00 O ATOM 1291 CB SER A 88 4.742 13.027 -6.013 1.00 0.00 C ATOM 1292 OG SER A 88 3.864 12.904 -7.127 1.00 0.00 O ATOM 0 H SER A 88 5.850 13.068 -3.789 1.00 0.00 H new ATOM 0 HA SER A 88 3.597 14.312 -4.750 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.446 13.839 -6.194 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.328 12.114 -5.911 1.00 0.00 H new ATOM 0 HG SER A 88 4.387 12.736 -7.939 1.00 0.00 H new ATOM 1298 N VAL A 89 2.998 11.134 -5.141 1.00 0.00 N ATOM 1299 CA VAL A 89 1.969 10.108 -5.088 1.00 0.00 C ATOM 1300 C VAL A 89 2.622 8.753 -4.802 1.00 0.00 C ATOM 1301 O VAL A 89 3.688 8.448 -5.339 1.00 0.00 O ATOM 1302 CB VAL A 89 1.153 10.117 -6.382 1.00 0.00 C ATOM 1303 CG1 VAL A 89 0.922 11.547 -6.872 1.00 0.00 C ATOM 1304 CG2 VAL A 89 1.829 9.270 -7.463 1.00 0.00 C ATOM 0 H VAL A 89 3.845 10.864 -5.641 1.00 0.00 H new ATOM 0 HA VAL A 89 1.269 10.310 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 89 0.181 9.673 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.340 11.526 -7.793 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.379 12.109 -6.112 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.882 12.027 -7.061 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.228 9.293 -8.372 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.820 9.671 -7.673 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.920 8.241 -7.115 1.00 0.00 H new ATOM 1314 N VAL A 90 1.957 7.978 -3.959 1.00 0.00 N ATOM 1315 CA VAL A 90 2.457 6.664 -3.595 1.00 0.00 C ATOM 1316 C VAL A 90 1.654 5.593 -4.336 1.00 0.00 C ATOM 1317 O VAL A 90 0.523 5.287 -3.955 1.00 0.00 O ATOM 1318 CB VAL A 90 2.425 6.492 -2.076 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.579 7.246 -1.412 1.00 0.00 C ATOM 1320 CG2 VAL A 90 1.077 6.939 -1.503 1.00 0.00 C ATOM 0 H VAL A 90 1.075 8.235 -3.517 1.00 0.00 H new ATOM 0 HA VAL A 90 3.499 6.556 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 90 2.549 5.431 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.531 7.106 -0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.528 6.862 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.501 8.308 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.080 6.807 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.912 7.990 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.279 6.339 -1.940 1.00 0.00 H new ATOM 1330 N THR A 91 2.266 5.054 -5.378 1.00 0.00 N ATOM 1331 CA THR A 91 1.621 4.025 -6.176 1.00 0.00 C ATOM 1332 C THR A 91 2.175 2.645 -5.814 1.00 0.00 C ATOM 1333 O THR A 91 3.287 2.295 -6.205 1.00 0.00 O ATOM 1334 CB THR A 91 1.806 4.384 -7.653 1.00 0.00 C ATOM 1335 OG1 THR A 91 3.140 4.877 -7.726 1.00 0.00 O ATOM 1336 CG2 THR A 91 0.945 5.576 -8.075 1.00 0.00 C ATOM 0 H THR A 91 3.203 5.310 -5.689 1.00 0.00 H new ATOM 0 HA THR A 91 0.552 3.978 -5.970 1.00 0.00 H new ATOM 0 HB THR A 91 1.561 3.520 -8.271 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.345 5.132 -8.650 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.113 5.790 -9.130 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.107 5.340 -7.915 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.215 6.449 -7.480 1.00 0.00 H new ATOM 1344 N LEU A 92 1.371 1.897 -5.071 1.00 0.00 N ATOM 1345 CA LEU A 92 1.768 0.563 -4.650 1.00 0.00 C ATOM 1346 C LEU A 92 0.776 -0.458 -5.213 1.00 0.00 C ATOM 1347 O LEU A 92 -0.316 -0.095 -5.647 1.00 0.00 O ATOM 1348 CB LEU A 92 1.917 0.502 -3.129 1.00 0.00 C ATOM 1349 CG LEU A 92 2.411 1.782 -2.451 1.00 0.00 C ATOM 1350 CD1 LEU A 92 3.402 2.526 -3.346 1.00 0.00 C ATOM 1351 CD2 LEU A 92 1.236 2.669 -2.034 1.00 0.00 C ATOM 0 H LEU A 92 0.448 2.189 -4.750 1.00 0.00 H new ATOM 0 HA LEU A 92 2.750 0.312 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.951 0.237 -2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.607 -0.305 -2.884 1.00 0.00 H new ATOM 0 HG LEU A 92 2.943 1.505 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.738 3.432 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.259 1.885 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.916 2.792 -4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.614 3.572 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.655 2.942 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.600 2.126 -1.335 1.00 0.00 H new ATOM 1363 N GLU A 93 1.193 -1.716 -5.188 1.00 0.00 N ATOM 1364 CA GLU A 93 0.357 -2.791 -5.690 1.00 0.00 C ATOM 1365 C GLU A 93 -0.162 -3.645 -4.531 1.00 0.00 C ATOM 1366 O GLU A 93 0.595 -4.399 -3.922 1.00 0.00 O ATOM 1367 CB GLU A 93 1.116 -3.649 -6.705 1.00 0.00 C ATOM 1368 CG GLU A 93 0.166 -4.224 -7.757 1.00 0.00 C ATOM 1369 CD GLU A 93 0.721 -5.523 -8.345 1.00 0.00 C ATOM 1370 OE1 GLU A 93 1.446 -6.219 -7.603 1.00 0.00 O ATOM 1371 OE2 GLU A 93 0.409 -5.790 -9.525 1.00 0.00 O ATOM 0 H GLU A 93 2.100 -2.014 -4.827 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.498 -2.350 -6.203 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.883 -3.048 -7.193 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.628 -4.462 -6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.809 -4.411 -7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.015 -3.495 -8.553 1.00 0.00 H new ATOM 1378 N VAL A 94 -1.451 -3.498 -4.260 1.00 0.00 N ATOM 1379 CA VAL A 94 -2.081 -4.244 -3.185 1.00 0.00 C ATOM 1380 C VAL A 94 -3.325 -4.955 -3.724 1.00 0.00 C ATOM 1381 O VAL A 94 -3.841 -4.595 -4.779 1.00 0.00 O ATOM 1382 CB VAL A 94 -2.386 -3.313 -2.009 1.00 0.00 C ATOM 1383 CG1 VAL A 94 -1.114 -2.627 -1.509 1.00 0.00 C ATOM 1384 CG2 VAL A 94 -3.452 -2.284 -2.389 1.00 0.00 C ATOM 0 H VAL A 94 -2.076 -2.872 -4.768 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.406 -5.012 -2.807 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.781 -3.919 -1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.359 -1.971 -0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.399 -3.381 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.677 -2.039 -2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.651 -1.634 -1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.097 -1.684 -3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.369 -2.799 -2.675 1.00 0.00 H new ATOM 1394 N ALA A 95 -3.765 -5.953 -2.973 1.00 0.00 N ATOM 1395 CA ALA A 95 -4.939 -6.719 -3.363 1.00 0.00 C ATOM 1396 C ALA A 95 -5.981 -6.650 -2.245 1.00 0.00 C ATOM 1397 O ALA A 95 -5.656 -6.852 -1.074 1.00 0.00 O ATOM 1398 CB ALA A 95 -4.527 -8.155 -3.689 1.00 0.00 C ATOM 0 H ALA A 95 -3.332 -6.250 -2.098 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.391 -6.299 -4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.407 -8.729 -3.981 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.808 -8.150 -4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.072 -8.611 -2.810 1.00 0.00 H new