USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 521 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 67 THR OG1 : rot 180:sc= -0.869 USER MOD Set 1.2: A 76 GLN : amide:sc= -0.0213 X(o=-0.89,f=-0.87) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 20 HIS : no HD1:sc= -5.25! C(o=-5.2!,f=-11!) USER MOD Single : A 24 CYS SG : rot 72:sc= 0.244 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -160:sc= -2.14 USER MOD Single : A 35 SER OG : rot -47:sc= -1.67! USER MOD Single : A 38 GLN : amide:sc= -0.658 K(o=-0.66,f=-4.3!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.0052) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -63:sc= 0.541 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot -60:sc= -4.89! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN :FLIP amide:sc= 0.245 F(o=-0.27,f=0.24) USER MOD Single : A 69 SER OG : rot -11:sc= -1.18 USER MOD Single : A 73 HIS : no HD1:sc= -2.01 K(o=-2,f=-3.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 157 N ALA A 11 -7.655 -2.528 6.645 1.00 0.00 N ATOM 158 CA ALA A 11 -7.364 -1.266 5.984 1.00 0.00 C ATOM 159 C ALA A 11 -7.748 -1.332 4.511 1.00 0.00 C ATOM 160 O ALA A 11 -7.190 -2.121 3.748 1.00 0.00 O ATOM 161 CB ALA A 11 -5.891 -0.915 6.133 1.00 0.00 C ATOM 0 HA ALA A 11 -7.956 -0.484 6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.690 0.032 5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.643 -0.826 7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.283 -1.699 5.683 1.00 0.00 H new ATOM 167 N THR A 12 -8.713 -0.509 4.116 1.00 0.00 N ATOM 168 CA THR A 12 -9.173 -0.484 2.733 1.00 0.00 C ATOM 169 C THR A 12 -8.974 0.898 2.118 1.00 0.00 C ATOM 170 O THR A 12 -9.393 1.908 2.685 1.00 0.00 O ATOM 171 CB THR A 12 -10.647 -0.888 2.652 1.00 0.00 C ATOM 172 OG1 THR A 12 -11.246 -0.873 3.935 1.00 0.00 O ATOM 173 CG2 THR A 12 -10.855 -2.267 2.064 1.00 0.00 C ATOM 0 H THR A 12 -9.191 0.148 4.733 1.00 0.00 H new ATOM 0 HA THR A 12 -8.579 -1.202 2.167 1.00 0.00 H new ATOM 0 HB THR A 12 -11.111 -0.154 1.994 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.188 -1.133 3.859 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.921 -2.493 2.034 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.450 -2.296 1.053 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.344 -3.006 2.681 1.00 0.00 H new ATOM 181 N PHE A 13 -8.331 0.933 0.957 1.00 0.00 N ATOM 182 CA PHE A 13 -8.072 2.187 0.258 1.00 0.00 C ATOM 183 C PHE A 13 -8.953 2.307 -0.982 1.00 0.00 C ATOM 184 O PHE A 13 -8.619 1.786 -2.042 1.00 0.00 O ATOM 185 CB PHE A 13 -6.598 2.271 -0.140 1.00 0.00 C ATOM 186 CG PHE A 13 -6.243 3.524 -0.890 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.532 4.773 -0.363 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.615 3.450 -2.121 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.202 5.925 -1.054 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.282 4.597 -2.816 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.574 5.835 -2.282 1.00 0.00 C ATOM 0 H PHE A 13 -7.978 0.105 0.478 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.309 3.011 0.932 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.985 2.211 0.759 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.348 1.407 -0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.020 4.848 0.598 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.382 2.484 -2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.435 6.893 -0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.794 4.524 -3.776 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.312 6.733 -2.823 1.00 0.00 H new ATOM 201 N SER A 14 -10.080 2.994 -0.847 1.00 0.00 N ATOM 202 CA SER A 14 -10.997 3.170 -1.967 1.00 0.00 C ATOM 203 C SER A 14 -10.380 4.060 -3.044 1.00 0.00 C ATOM 204 O SER A 14 -10.299 5.279 -2.886 1.00 0.00 O ATOM 205 CB SER A 14 -12.317 3.771 -1.482 1.00 0.00 C ATOM 206 OG SER A 14 -13.406 3.301 -2.256 1.00 0.00 O ATOM 0 H SER A 14 -10.381 3.436 0.022 1.00 0.00 H new ATOM 0 HA SER A 14 -11.192 2.190 -2.403 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.474 3.514 -0.434 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.268 4.858 -1.540 1.00 0.00 H new ATOM 0 HG SER A 14 -14.238 3.699 -1.925 1.00 0.00 H new ATOM 212 N LEU A 15 -9.945 3.441 -4.140 1.00 0.00 N ATOM 213 CA LEU A 15 -9.335 4.173 -5.245 1.00 0.00 C ATOM 214 C LEU A 15 -10.385 4.961 -6.023 1.00 0.00 C ATOM 215 O LEU A 15 -10.132 6.081 -6.466 1.00 0.00 O ATOM 216 CB LEU A 15 -8.611 3.205 -6.187 1.00 0.00 C ATOM 217 CG LEU A 15 -7.097 3.123 -5.995 1.00 0.00 C ATOM 218 CD1 LEU A 15 -6.500 2.057 -6.902 1.00 0.00 C ATOM 219 CD2 LEU A 15 -6.454 4.473 -6.266 1.00 0.00 C ATOM 0 H LEU A 15 -10.004 2.433 -4.285 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.614 4.875 -4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.033 2.209 -6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.815 3.502 -7.216 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.896 2.845 -4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.421 2.013 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.939 1.088 -6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.711 2.305 -7.942 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.376 4.397 -6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.665 4.777 -7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.859 5.214 -5.577 1.00 0.00 H new ATOM 231 N GLY A 16 -11.561 4.365 -6.187 1.00 0.00 N ATOM 232 CA GLY A 16 -12.631 5.024 -6.912 1.00 0.00 C ATOM 233 C GLY A 16 -12.869 4.412 -8.280 1.00 0.00 C ATOM 234 O GLY A 16 -13.763 3.584 -8.449 1.00 0.00 O ATOM 0 H GLY A 16 -11.792 3.438 -5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.550 4.968 -6.328 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.390 6.081 -7.027 1.00 0.00 H new ATOM 238 N LYS A 17 -12.066 4.820 -9.259 1.00 0.00 N ATOM 239 CA LYS A 17 -12.197 4.305 -10.619 1.00 0.00 C ATOM 240 C LYS A 17 -11.060 4.808 -11.505 1.00 0.00 C ATOM 241 O LYS A 17 -11.293 5.379 -12.572 1.00 0.00 O ATOM 242 CB LYS A 17 -13.546 4.715 -11.211 1.00 0.00 C ATOM 243 CG LYS A 17 -14.076 3.740 -12.251 1.00 0.00 C ATOM 244 CD LYS A 17 -15.405 3.132 -11.826 1.00 0.00 C ATOM 245 CE LYS A 17 -15.236 1.700 -11.340 1.00 0.00 C ATOM 246 NZ LYS A 17 -16.357 0.828 -11.789 1.00 0.00 N ATOM 0 H LYS A 17 -11.319 5.504 -9.137 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.142 3.217 -10.578 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.275 4.805 -10.405 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.449 5.701 -11.665 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.199 4.255 -13.204 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.347 2.946 -12.410 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.845 3.736 -11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -16.100 3.152 -12.665 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.293 1.299 -11.711 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -15.181 1.690 -10.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -16.206 -0.139 -11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -17.255 1.196 -11.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -16.394 0.818 -12.828 1.00 0.00 H new ATOM 260 N HIS A 18 -9.829 4.592 -11.053 1.00 0.00 N ATOM 261 CA HIS A 18 -8.648 5.022 -11.795 1.00 0.00 C ATOM 262 C HIS A 18 -7.983 3.837 -12.492 1.00 0.00 C ATOM 263 O HIS A 18 -8.207 2.685 -12.119 1.00 0.00 O ATOM 264 CB HIS A 18 -7.657 5.693 -10.844 1.00 0.00 C ATOM 265 CG HIS A 18 -8.226 6.884 -10.139 1.00 0.00 C ATOM 266 ND1 HIS A 18 -8.131 7.070 -8.777 1.00 0.00 N ATOM 267 CD2 HIS A 18 -8.906 7.953 -10.616 1.00 0.00 C ATOM 268 CE1 HIS A 18 -8.729 8.200 -8.444 1.00 0.00 C ATOM 269 NE2 HIS A 18 -9.207 8.756 -9.543 1.00 0.00 N ATOM 0 H HIS A 18 -9.622 4.120 -10.173 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.959 5.736 -12.557 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.325 4.965 -10.103 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.775 6.000 -11.407 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.164 8.140 -11.648 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.813 8.601 -7.445 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -9.717 9.638 -9.587 1.00 0.00 H new ATOM 277 N PRO A 19 -7.149 4.101 -13.516 1.00 0.00 N ATOM 278 CA PRO A 19 -6.452 3.042 -14.255 1.00 0.00 C ATOM 279 C PRO A 19 -5.571 2.198 -13.342 1.00 0.00 C ATOM 280 O PRO A 19 -5.434 0.994 -13.541 1.00 0.00 O ATOM 281 CB PRO A 19 -5.590 3.805 -15.270 1.00 0.00 C ATOM 282 CG PRO A 19 -5.513 5.198 -14.743 1.00 0.00 C ATOM 283 CD PRO A 19 -6.813 5.437 -14.034 1.00 0.00 C ATOM 0 HA PRO A 19 -7.150 2.344 -14.718 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.598 3.361 -15.358 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.038 3.783 -16.263 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.669 5.313 -14.063 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.371 5.915 -15.551 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.709 6.168 -13.232 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.580 5.814 -14.711 1.00 0.00 H new ATOM 291 N HIS A 20 -4.978 2.852 -12.344 1.00 0.00 N ATOM 292 CA HIS A 20 -4.103 2.192 -11.374 1.00 0.00 C ATOM 293 C HIS A 20 -3.336 3.234 -10.565 1.00 0.00 C ATOM 294 O HIS A 20 -3.574 4.434 -10.701 1.00 0.00 O ATOM 295 CB HIS A 20 -3.122 1.233 -12.070 1.00 0.00 C ATOM 296 CG HIS A 20 -1.950 1.915 -12.692 1.00 0.00 C ATOM 297 ND1 HIS A 20 -1.002 2.585 -11.957 1.00 0.00 N ATOM 298 CD2 HIS A 20 -1.574 2.039 -13.988 1.00 0.00 C ATOM 299 CE1 HIS A 20 -0.097 3.096 -12.761 1.00 0.00 C ATOM 300 NE2 HIS A 20 -0.417 2.779 -14.003 1.00 0.00 N ATOM 0 H HIS A 20 -5.090 3.853 -12.185 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.727 1.605 -10.701 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.763 0.505 -11.342 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.657 0.677 -12.840 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.087 1.633 -14.847 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.762 3.676 -12.458 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.109 3.041 -14.837 1.00 0.00 H new ATOM 308 N VAL A 21 -2.405 2.773 -9.736 1.00 0.00 N ATOM 309 CA VAL A 21 -1.597 3.682 -8.924 1.00 0.00 C ATOM 310 C VAL A 21 -0.182 3.164 -8.725 1.00 0.00 C ATOM 311 O VAL A 21 0.102 1.987 -8.937 1.00 0.00 O ATOM 312 CB VAL A 21 -2.202 3.910 -7.531 1.00 0.00 C ATOM 313 CG1 VAL A 21 -3.348 4.905 -7.589 1.00 0.00 C ATOM 314 CG2 VAL A 21 -2.643 2.586 -6.931 1.00 0.00 C ATOM 0 H VAL A 21 -2.191 1.784 -9.608 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.579 4.619 -9.480 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.437 4.339 -6.884 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.757 5.047 -6.589 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.983 5.859 -7.971 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.127 4.524 -8.249 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.071 2.759 -5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.392 2.126 -7.575 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.783 1.922 -6.843 1.00 0.00 H new ATOM 324 N GLU A 22 0.695 4.062 -8.291 1.00 0.00 N ATOM 325 CA GLU A 22 2.081 3.717 -8.029 1.00 0.00 C ATOM 326 C GLU A 22 2.300 3.561 -6.528 1.00 0.00 C ATOM 327 O GLU A 22 1.620 4.202 -5.728 1.00 0.00 O ATOM 328 CB GLU A 22 3.014 4.790 -8.592 1.00 0.00 C ATOM 329 CG GLU A 22 2.772 6.179 -8.024 1.00 0.00 C ATOM 330 CD GLU A 22 3.693 7.223 -8.625 1.00 0.00 C ATOM 331 OE1 GLU A 22 3.630 7.433 -9.854 1.00 0.00 O ATOM 332 OE2 GLU A 22 4.478 7.829 -7.866 1.00 0.00 O ATOM 0 H GLU A 22 0.465 5.040 -8.113 1.00 0.00 H new ATOM 0 HA GLU A 22 2.308 2.771 -8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.046 4.501 -8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.898 4.826 -9.675 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.736 6.466 -8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.912 6.155 -6.943 1.00 0.00 H new ATOM 339 N LEU A 23 3.243 2.701 -6.149 1.00 0.00 N ATOM 340 CA LEU A 23 3.543 2.454 -4.739 1.00 0.00 C ATOM 341 C LEU A 23 3.527 3.748 -3.927 1.00 0.00 C ATOM 342 O LEU A 23 2.951 3.804 -2.844 1.00 0.00 O ATOM 343 CB LEU A 23 4.904 1.769 -4.599 1.00 0.00 C ATOM 344 CG LEU A 23 4.987 0.370 -5.215 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.412 -0.160 -5.157 1.00 0.00 C ATOM 346 CD2 LEU A 23 4.031 -0.580 -4.508 1.00 0.00 C ATOM 0 H LEU A 23 3.814 2.162 -6.800 1.00 0.00 H new ATOM 0 HA LEU A 23 2.766 1.799 -4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.662 2.400 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.152 1.699 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 23 4.693 0.438 -6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.448 -1.155 -5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.071 0.508 -5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.738 -0.213 -4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.103 -1.570 -4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.294 -0.642 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.011 -0.210 -4.607 1.00 0.00 H new ATOM 358 N CYS A 24 4.160 4.786 -4.453 1.00 0.00 N ATOM 359 CA CYS A 24 4.213 6.070 -3.766 1.00 0.00 C ATOM 360 C CYS A 24 2.815 6.636 -3.526 1.00 0.00 C ATOM 361 O CYS A 24 2.561 7.265 -2.500 1.00 0.00 O ATOM 362 CB CYS A 24 5.043 7.066 -4.576 1.00 0.00 C ATOM 363 SG CYS A 24 5.716 8.431 -3.601 1.00 0.00 S ATOM 0 H CYS A 24 4.643 4.766 -5.351 1.00 0.00 H new ATOM 0 HA CYS A 24 4.683 5.908 -2.796 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.866 6.534 -5.053 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.423 7.475 -5.374 1.00 0.00 H new ATOM 0 HG CYS A 24 6.672 7.990 -2.838 1.00 0.00 H new ATOM 369 N ASP A 25 1.913 6.420 -4.478 1.00 0.00 N ATOM 370 CA ASP A 25 0.547 6.927 -4.361 1.00 0.00 C ATOM 371 C ASP A 25 -0.241 6.169 -3.302 1.00 0.00 C ATOM 372 O ASP A 25 -0.665 6.744 -2.302 1.00 0.00 O ATOM 373 CB ASP A 25 -0.170 6.818 -5.707 1.00 0.00 C ATOM 374 CG ASP A 25 0.327 7.839 -6.712 1.00 0.00 C ATOM 375 OD1 ASP A 25 1.427 8.391 -6.502 1.00 0.00 O ATOM 376 OD2 ASP A 25 -0.384 8.086 -7.709 1.00 0.00 O ATOM 0 H ASP A 25 2.100 5.900 -5.336 1.00 0.00 H new ATOM 0 HA ASP A 25 0.607 7.973 -4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.028 5.816 -6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.241 6.952 -5.557 1.00 0.00 H new ATOM 381 N LEU A 26 -0.436 4.875 -3.527 1.00 0.00 N ATOM 382 CA LEU A 26 -1.180 4.035 -2.593 1.00 0.00 C ATOM 383 C LEU A 26 -0.727 4.266 -1.156 1.00 0.00 C ATOM 384 O LEU A 26 -1.545 4.396 -0.247 1.00 0.00 O ATOM 385 CB LEU A 26 -0.998 2.561 -2.960 1.00 0.00 C ATOM 386 CG LEU A 26 -2.217 1.675 -2.705 1.00 0.00 C ATOM 387 CD1 LEU A 26 -3.247 1.866 -3.806 1.00 0.00 C ATOM 388 CD2 LEU A 26 -1.801 0.214 -2.608 1.00 0.00 C ATOM 0 H LEU A 26 -0.089 4.383 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.234 4.304 -2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.735 2.495 -4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.155 2.163 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.668 1.967 -1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.110 1.229 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.564 2.909 -3.831 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.807 1.598 -4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.681 -0.403 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.329 -0.093 -3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.095 0.090 -1.787 1.00 0.00 H new ATOM 400 N LEU A 27 0.582 4.303 -0.968 1.00 0.00 N ATOM 401 CA LEU A 27 1.168 4.499 0.348 1.00 0.00 C ATOM 402 C LEU A 27 0.901 5.898 0.898 1.00 0.00 C ATOM 403 O LEU A 27 0.193 6.055 1.893 1.00 0.00 O ATOM 404 CB LEU A 27 2.668 4.244 0.273 1.00 0.00 C ATOM 405 CG LEU A 27 3.072 2.780 0.409 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.350 1.917 -0.618 1.00 0.00 C ATOM 407 CD2 LEU A 27 4.576 2.633 0.280 1.00 0.00 C ATOM 0 H LEU A 27 1.265 4.199 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 27 0.700 3.792 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.040 4.623 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.160 4.817 1.059 1.00 0.00 H new ATOM 0 HG LEU A 27 2.777 2.434 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.656 0.878 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.273 1.998 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.603 2.257 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.849 1.582 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.895 3.000 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.067 3.211 1.063 1.00 0.00 H new ATOM 419 N LYS A 28 1.479 6.910 0.257 1.00 0.00 N ATOM 420 CA LYS A 28 1.306 8.293 0.700 1.00 0.00 C ATOM 421 C LYS A 28 -0.168 8.625 0.911 1.00 0.00 C ATOM 422 O LYS A 28 -0.554 9.138 1.962 1.00 0.00 O ATOM 423 CB LYS A 28 1.921 9.263 -0.311 1.00 0.00 C ATOM 424 CG LYS A 28 2.659 10.425 0.333 1.00 0.00 C ATOM 425 CD LYS A 28 2.836 11.582 -0.636 1.00 0.00 C ATOM 426 CE LYS A 28 3.675 11.182 -1.839 1.00 0.00 C ATOM 427 NZ LYS A 28 3.576 12.179 -2.942 1.00 0.00 N ATOM 0 H LYS A 28 2.069 6.801 -0.568 1.00 0.00 H new ATOM 0 HA LYS A 28 1.822 8.402 1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.611 8.716 -0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.132 9.655 -0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.108 10.765 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.636 10.088 0.681 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.859 11.928 -0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.311 12.418 -0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.717 11.078 -1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.349 10.207 -2.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.162 11.870 -3.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.586 12.260 -3.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.911 13.104 -2.605 1.00 0.00 H new ATOM 441 N LEU A 29 -0.986 8.336 -0.095 1.00 0.00 N ATOM 442 CA LEU A 29 -2.415 8.611 -0.017 1.00 0.00 C ATOM 443 C LEU A 29 -3.046 7.917 1.188 1.00 0.00 C ATOM 444 O LEU A 29 -3.971 8.449 1.803 1.00 0.00 O ATOM 445 CB LEU A 29 -3.115 8.173 -1.305 1.00 0.00 C ATOM 446 CG LEU A 29 -3.957 9.254 -1.981 1.00 0.00 C ATOM 447 CD1 LEU A 29 -3.868 9.131 -3.494 1.00 0.00 C ATOM 448 CD2 LEU A 29 -5.404 9.167 -1.521 1.00 0.00 C ATOM 0 H LEU A 29 -0.684 7.912 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.542 9.687 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.360 7.827 -2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.757 7.321 -1.081 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.563 10.229 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.474 9.909 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.830 9.243 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.236 8.152 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.989 9.944 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.810 8.189 -1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.451 9.305 -0.441 1.00 0.00 H new ATOM 460 N GLU A 30 -2.551 6.728 1.521 1.00 0.00 N ATOM 461 CA GLU A 30 -3.085 5.976 2.653 1.00 0.00 C ATOM 462 C GLU A 30 -2.455 6.416 3.975 1.00 0.00 C ATOM 463 O GLU A 30 -2.907 6.008 5.045 1.00 0.00 O ATOM 464 CB GLU A 30 -2.868 4.478 2.455 1.00 0.00 C ATOM 465 CG GLU A 30 -4.037 3.775 1.785 1.00 0.00 C ATOM 466 CD GLU A 30 -5.065 3.281 2.784 1.00 0.00 C ATOM 467 OE1 GLU A 30 -4.661 2.694 3.809 1.00 0.00 O ATOM 468 OE2 GLU A 30 -6.274 3.483 2.542 1.00 0.00 O ATOM 0 H GLU A 30 -1.787 6.267 1.027 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.154 6.184 2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.971 4.326 1.854 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.684 4.015 3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.515 4.459 1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.665 2.931 1.204 1.00 0.00 H new ATOM 475 N GLY A 31 -1.421 7.251 3.906 1.00 0.00 N ATOM 476 CA GLY A 31 -0.776 7.721 5.119 1.00 0.00 C ATOM 477 C GLY A 31 0.423 6.883 5.524 1.00 0.00 C ATOM 478 O GLY A 31 0.817 6.881 6.690 1.00 0.00 O ATOM 0 H GLY A 31 -1.021 7.608 3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.457 8.754 4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.502 7.721 5.932 1.00 0.00 H new ATOM 482 N TRP A 32 1.017 6.179 4.564 1.00 0.00 N ATOM 483 CA TRP A 32 2.185 5.352 4.846 1.00 0.00 C ATOM 484 C TRP A 32 3.415 6.235 5.027 1.00 0.00 C ATOM 485 O TRP A 32 4.013 6.276 6.101 1.00 0.00 O ATOM 486 CB TRP A 32 2.431 4.351 3.713 1.00 0.00 C ATOM 487 CG TRP A 32 1.308 3.378 3.514 1.00 0.00 C ATOM 488 CD1 TRP A 32 -0.030 3.658 3.537 1.00 0.00 C ATOM 489 CD2 TRP A 32 1.419 1.971 3.252 1.00 0.00 C ATOM 490 NE1 TRP A 32 -0.754 2.514 3.309 1.00 0.00 N ATOM 491 CE2 TRP A 32 0.110 1.471 3.130 1.00 0.00 C ATOM 492 CE3 TRP A 32 2.492 1.078 3.105 1.00 0.00 C ATOM 493 CZ2 TRP A 32 -0.155 0.135 2.871 1.00 0.00 C ATOM 494 CZ3 TRP A 32 2.217 -0.251 2.845 1.00 0.00 C ATOM 495 CH2 TRP A 32 0.905 -0.709 2.732 1.00 0.00 C ATOM 0 H TRP A 32 0.711 6.165 3.591 1.00 0.00 H new ATOM 0 HA TRP A 32 1.997 4.796 5.765 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.594 4.899 2.785 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.347 3.798 3.921 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.455 4.636 3.709 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.772 2.453 3.278 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.512 1.423 3.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.169 -0.225 2.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.034 -0.948 2.727 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.725 -1.755 2.530 1.00 0.00 H new ATOM 506 N SER A 33 3.778 6.945 3.962 1.00 0.00 N ATOM 507 CA SER A 33 4.927 7.839 3.986 1.00 0.00 C ATOM 508 C SER A 33 4.477 9.299 3.998 1.00 0.00 C ATOM 509 O SER A 33 3.480 9.653 3.369 1.00 0.00 O ATOM 510 CB SER A 33 5.820 7.567 2.774 1.00 0.00 C ATOM 511 OG SER A 33 7.191 7.670 3.118 1.00 0.00 O ATOM 0 H SER A 33 3.288 6.916 3.068 1.00 0.00 H new ATOM 0 HA SER A 33 5.496 7.653 4.897 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.614 6.571 2.383 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.587 8.276 1.980 1.00 0.00 H new ATOM 0 HG SER A 33 7.722 7.810 2.306 1.00 0.00 H new ATOM 517 N GLU A 34 5.208 10.142 4.723 1.00 0.00 N ATOM 518 CA GLU A 34 4.869 11.559 4.816 1.00 0.00 C ATOM 519 C GLU A 34 5.311 12.317 3.567 1.00 0.00 C ATOM 520 O GLU A 34 4.643 13.253 3.128 1.00 0.00 O ATOM 521 CB GLU A 34 5.526 12.174 6.053 1.00 0.00 C ATOM 522 CG GLU A 34 5.051 13.584 6.361 1.00 0.00 C ATOM 523 CD GLU A 34 3.560 13.651 6.620 1.00 0.00 C ATOM 524 OE1 GLU A 34 3.066 12.866 7.456 1.00 0.00 O ATOM 525 OE2 GLU A 34 2.885 14.490 5.987 1.00 0.00 O ATOM 0 H GLU A 34 6.036 9.870 5.253 1.00 0.00 H new ATOM 0 HA GLU A 34 3.785 11.641 4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.326 11.537 6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.607 12.187 5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.585 13.961 7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.301 14.239 5.526 1.00 0.00 H new ATOM 532 N SER A 35 6.432 11.900 2.991 1.00 0.00 N ATOM 533 CA SER A 35 6.955 12.532 1.786 1.00 0.00 C ATOM 534 C SER A 35 6.722 11.642 0.572 1.00 0.00 C ATOM 535 O SER A 35 6.401 12.122 -0.516 1.00 0.00 O ATOM 536 CB SER A 35 8.447 12.818 1.938 1.00 0.00 C ATOM 537 OG SER A 35 9.203 11.631 1.787 1.00 0.00 O ATOM 0 H SER A 35 6.997 11.126 3.340 1.00 0.00 H new ATOM 0 HA SER A 35 6.427 13.474 1.639 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.759 13.551 1.194 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.640 13.256 2.917 1.00 0.00 H new ATOM 0 HG SER A 35 8.802 10.917 2.325 1.00 0.00 H new ATOM 543 N GLY A 36 6.901 10.340 0.770 1.00 0.00 N ATOM 544 CA GLY A 36 6.722 9.388 -0.307 1.00 0.00 C ATOM 545 C GLY A 36 8.041 8.812 -0.787 1.00 0.00 C ATOM 546 O GLY A 36 8.082 7.711 -1.336 1.00 0.00 O ATOM 0 H GLY A 36 7.168 9.927 1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.075 8.578 0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.215 9.875 -1.140 1.00 0.00 H new ATOM 550 N ALA A 37 9.122 9.561 -0.583 1.00 0.00 N ATOM 551 CA ALA A 37 10.451 9.121 -1.001 1.00 0.00 C ATOM 552 C ALA A 37 11.497 9.321 0.100 1.00 0.00 C ATOM 553 O ALA A 37 12.591 8.760 0.032 1.00 0.00 O ATOM 554 CB ALA A 37 10.871 9.862 -2.263 1.00 0.00 C ATOM 0 H ALA A 37 9.104 10.475 -0.131 1.00 0.00 H new ATOM 0 HA ALA A 37 10.394 8.052 -1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 37 11.863 9.528 -2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.157 9.655 -3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.894 10.934 -2.065 1.00 0.00 H new ATOM 560 N GLN A 38 11.162 10.122 1.109 1.00 0.00 N ATOM 561 CA GLN A 38 12.077 10.395 2.217 1.00 0.00 C ATOM 562 C GLN A 38 12.601 9.102 2.837 1.00 0.00 C ATOM 563 O GLN A 38 13.761 8.736 2.646 1.00 0.00 O ATOM 564 CB GLN A 38 11.375 11.239 3.285 1.00 0.00 C ATOM 565 CG GLN A 38 12.219 11.496 4.523 1.00 0.00 C ATOM 566 CD GLN A 38 13.412 12.390 4.243 1.00 0.00 C ATOM 567 OE1 GLN A 38 13.717 12.694 3.090 1.00 0.00 O ATOM 568 NE2 GLN A 38 14.094 12.815 5.300 1.00 0.00 N ATOM 0 H GLN A 38 10.261 10.595 1.183 1.00 0.00 H new ATOM 0 HA GLN A 38 12.928 10.949 1.820 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.089 12.196 2.848 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.454 10.737 3.583 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.598 11.956 5.292 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.569 10.544 4.923 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.805 12.538 6.238 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.907 13.418 5.174 1.00 0.00 H new ATOM 577 N ALA A 39 11.742 8.418 3.587 1.00 0.00 N ATOM 578 CA ALA A 39 12.115 7.171 4.248 1.00 0.00 C ATOM 579 C ALA A 39 12.269 6.011 3.260 1.00 0.00 C ATOM 580 O ALA A 39 12.303 4.851 3.666 1.00 0.00 O ATOM 581 CB ALA A 39 11.083 6.816 5.307 1.00 0.00 C ATOM 0 H ALA A 39 10.778 8.708 3.753 1.00 0.00 H new ATOM 0 HA ALA A 39 13.086 7.330 4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.369 5.884 5.795 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.033 7.614 6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.107 6.695 4.838 1.00 0.00 H new ATOM 587 N LYS A 40 12.357 6.319 1.968 1.00 0.00 N ATOM 588 CA LYS A 40 12.501 5.285 0.951 1.00 0.00 C ATOM 589 C LYS A 40 11.308 4.335 0.975 1.00 0.00 C ATOM 590 O LYS A 40 11.404 3.192 0.531 1.00 0.00 O ATOM 591 CB LYS A 40 13.799 4.504 1.169 1.00 0.00 C ATOM 592 CG LYS A 40 15.042 5.379 1.145 1.00 0.00 C ATOM 593 CD LYS A 40 15.854 5.238 2.424 1.00 0.00 C ATOM 594 CE LYS A 40 17.222 5.888 2.289 1.00 0.00 C ATOM 595 NZ LYS A 40 18.254 4.926 1.809 1.00 0.00 N ATOM 0 H LYS A 40 12.331 7.271 1.604 1.00 0.00 H new ATOM 0 HA LYS A 40 12.538 5.768 -0.025 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.746 3.987 2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.888 3.739 0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.661 5.109 0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.751 6.421 1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.313 5.695 3.252 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.974 4.182 2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 40 17.158 6.726 1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.527 6.295 3.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.171 5.411 1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.335 4.138 2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 17.978 4.557 0.877 1.00 0.00 H new ATOM 609 N ILE A 41 10.184 4.819 1.496 1.00 0.00 N ATOM 610 CA ILE A 41 8.972 4.015 1.577 1.00 0.00 C ATOM 611 C ILE A 41 8.515 3.575 0.184 1.00 0.00 C ATOM 612 O ILE A 41 7.763 2.610 0.043 1.00 0.00 O ATOM 613 CB ILE A 41 7.839 4.793 2.296 1.00 0.00 C ATOM 614 CG1 ILE A 41 8.293 5.172 3.718 1.00 0.00 C ATOM 615 CG2 ILE A 41 6.545 3.978 2.323 1.00 0.00 C ATOM 616 CD1 ILE A 41 7.179 5.227 4.747 1.00 0.00 C ATOM 0 H ILE A 41 10.089 5.764 1.868 1.00 0.00 H new ATOM 0 HA ILE A 41 9.201 3.124 2.161 1.00 0.00 H new ATOM 0 HB ILE A 41 7.631 5.708 1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.040 4.451 4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.783 6.145 3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.767 4.547 2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.228 3.764 1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.716 3.041 2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.593 5.501 5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.441 5.970 4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.702 4.250 4.819 1.00 0.00 H new ATOM 628 N ALA A 42 8.985 4.272 -0.847 1.00 0.00 N ATOM 629 CA ALA A 42 8.628 3.933 -2.218 1.00 0.00 C ATOM 630 C ALA A 42 9.381 2.687 -2.682 1.00 0.00 C ATOM 631 O ALA A 42 8.815 1.591 -2.741 1.00 0.00 O ATOM 632 CB ALA A 42 8.914 5.107 -3.145 1.00 0.00 C ATOM 0 H ALA A 42 9.612 5.072 -0.758 1.00 0.00 H new ATOM 0 HA ALA A 42 7.560 3.716 -2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.642 4.839 -4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.329 5.971 -2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.975 5.352 -3.105 1.00 0.00 H new ATOM 638 N ILE A 43 10.662 2.860 -3.004 1.00 0.00 N ATOM 639 CA ILE A 43 11.497 1.749 -3.455 1.00 0.00 C ATOM 640 C ILE A 43 11.328 0.542 -2.536 1.00 0.00 C ATOM 641 O ILE A 43 11.156 -0.592 -2.997 1.00 0.00 O ATOM 642 CB ILE A 43 12.987 2.152 -3.507 1.00 0.00 C ATOM 643 CG1 ILE A 43 13.174 3.384 -4.398 1.00 0.00 C ATOM 644 CG2 ILE A 43 13.839 0.994 -4.010 1.00 0.00 C ATOM 645 CD1 ILE A 43 12.637 3.203 -5.802 1.00 0.00 C ATOM 0 H ILE A 43 11.143 3.758 -2.961 1.00 0.00 H new ATOM 0 HA ILE A 43 11.173 1.484 -4.461 1.00 0.00 H new ATOM 0 HB ILE A 43 13.313 2.402 -2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.677 4.236 -3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 43 14.236 3.625 -4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.885 1.298 -4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.727 0.142 -3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 43 13.515 0.712 -5.012 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.804 4.115 -6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 43 13.152 2.372 -6.284 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.568 2.992 -5.758 1.00 0.00 H new ATOM 657 N ALA A 44 11.353 0.798 -1.229 1.00 0.00 N ATOM 658 CA ALA A 44 11.177 -0.258 -0.243 1.00 0.00 C ATOM 659 C ALA A 44 9.871 -0.998 -0.504 1.00 0.00 C ATOM 660 O ALA A 44 9.878 -2.164 -0.894 1.00 0.00 O ATOM 661 CB ALA A 44 11.196 0.319 1.163 1.00 0.00 C ATOM 0 H ALA A 44 11.493 1.727 -0.832 1.00 0.00 H new ATOM 0 HA ALA A 44 12.002 -0.965 -0.330 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.063 -0.484 1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.151 0.814 1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.387 1.042 1.271 1.00 0.00 H new ATOM 667 N GLU A 45 8.750 -0.300 -0.295 1.00 0.00 N ATOM 668 CA GLU A 45 7.417 -0.870 -0.516 1.00 0.00 C ATOM 669 C GLU A 45 7.454 -1.950 -1.588 1.00 0.00 C ATOM 670 O GLU A 45 6.935 -3.050 -1.399 1.00 0.00 O ATOM 671 CB GLU A 45 6.441 0.232 -0.929 1.00 0.00 C ATOM 672 CG GLU A 45 5.107 -0.287 -1.453 1.00 0.00 C ATOM 673 CD GLU A 45 4.329 -1.060 -0.407 1.00 0.00 C ATOM 674 OE1 GLU A 45 3.924 -0.448 0.603 1.00 0.00 O ATOM 675 OE2 GLU A 45 4.123 -2.276 -0.599 1.00 0.00 O ATOM 0 H GLU A 45 8.740 0.667 0.029 1.00 0.00 H new ATOM 0 HA GLU A 45 7.083 -1.323 0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.256 0.880 -0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.908 0.847 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.506 0.553 -1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.285 -0.929 -2.316 1.00 0.00 H new ATOM 682 N GLY A 46 8.101 -1.632 -2.703 1.00 0.00 N ATOM 683 CA GLY A 46 8.223 -2.598 -3.774 1.00 0.00 C ATOM 684 C GLY A 46 8.914 -3.855 -3.289 1.00 0.00 C ATOM 685 O GLY A 46 8.276 -4.891 -3.096 1.00 0.00 O ATOM 0 H GLY A 46 8.540 -0.729 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.234 -2.847 -4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.787 -2.163 -4.599 1.00 0.00 H new ATOM 689 N GLN A 47 10.227 -3.754 -3.094 1.00 0.00 N ATOM 690 CA GLN A 47 11.048 -4.878 -2.631 1.00 0.00 C ATOM 691 C GLN A 47 10.403 -5.650 -1.474 1.00 0.00 C ATOM 692 O GLN A 47 10.817 -6.768 -1.169 1.00 0.00 O ATOM 693 CB GLN A 47 12.426 -4.372 -2.205 1.00 0.00 C ATOM 694 CG GLN A 47 12.366 -3.296 -1.137 1.00 0.00 C ATOM 695 CD GLN A 47 13.589 -3.282 -0.242 1.00 0.00 C ATOM 696 OE1 GLN A 47 13.479 -3.124 0.974 1.00 0.00 O ATOM 697 NE2 GLN A 47 14.763 -3.446 -0.840 1.00 0.00 N ATOM 0 H GLN A 47 10.754 -2.895 -3.251 1.00 0.00 H new ATOM 0 HA GLN A 47 11.140 -5.570 -3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.015 -5.211 -1.833 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.947 -3.979 -3.078 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.261 -2.322 -1.615 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.477 -3.448 -0.525 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.807 -3.574 -1.851 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.621 -3.444 -0.288 1.00 0.00 H new ATOM 706 N VAL A 48 9.404 -5.059 -0.821 1.00 0.00 N ATOM 707 CA VAL A 48 8.745 -5.718 0.300 1.00 0.00 C ATOM 708 C VAL A 48 7.784 -6.824 -0.168 1.00 0.00 C ATOM 709 O VAL A 48 8.210 -7.957 -0.389 1.00 0.00 O ATOM 710 CB VAL A 48 8.001 -4.711 1.194 1.00 0.00 C ATOM 711 CG1 VAL A 48 7.395 -5.422 2.397 1.00 0.00 C ATOM 712 CG2 VAL A 48 8.939 -3.598 1.634 1.00 0.00 C ATOM 0 H VAL A 48 9.038 -4.134 -1.047 1.00 0.00 H new ATOM 0 HA VAL A 48 9.534 -6.184 0.891 1.00 0.00 H new ATOM 0 HB VAL A 48 7.191 -4.262 0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.871 -4.698 3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.692 -6.182 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.187 -5.896 2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.397 -2.894 2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.771 -4.024 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.323 -3.077 0.757 1.00 0.00 H new ATOM 722 N LYS A 49 6.489 -6.511 -0.306 1.00 0.00 N ATOM 723 CA LYS A 49 5.511 -7.508 -0.731 1.00 0.00 C ATOM 724 C LYS A 49 4.216 -6.862 -1.221 1.00 0.00 C ATOM 725 O LYS A 49 3.536 -6.167 -0.467 1.00 0.00 O ATOM 726 CB LYS A 49 5.195 -8.453 0.431 1.00 0.00 C ATOM 727 CG LYS A 49 5.683 -9.870 0.206 1.00 0.00 C ATOM 728 CD LYS A 49 4.764 -10.627 -0.741 1.00 0.00 C ATOM 729 CE LYS A 49 4.501 -12.045 -0.259 1.00 0.00 C ATOM 730 NZ LYS A 49 5.111 -13.062 -1.161 1.00 0.00 N ATOM 0 H LYS A 49 6.102 -5.584 -0.130 1.00 0.00 H new ATOM 0 HA LYS A 49 5.948 -8.064 -1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.648 -8.061 1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.117 -8.469 0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.693 -9.848 -0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.737 -10.394 1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.818 -10.093 -0.834 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.211 -10.658 -1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.901 -12.166 0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.426 -12.213 -0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.909 -14.015 -0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.711 -12.964 -2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.140 -12.918 -1.201 1.00 0.00 H new ATOM 744 N VAL A 50 3.864 -7.116 -2.480 1.00 0.00 N ATOM 745 CA VAL A 50 2.632 -6.580 -3.047 1.00 0.00 C ATOM 746 C VAL A 50 1.711 -7.718 -3.476 1.00 0.00 C ATOM 747 O VAL A 50 2.166 -8.839 -3.699 1.00 0.00 O ATOM 748 CB VAL A 50 2.909 -5.664 -4.258 1.00 0.00 C ATOM 749 CG1 VAL A 50 1.618 -5.037 -4.764 1.00 0.00 C ATOM 750 CG2 VAL A 50 3.925 -4.589 -3.896 1.00 0.00 C ATOM 0 H VAL A 50 4.413 -7.687 -3.123 1.00 0.00 H new ATOM 0 HA VAL A 50 2.150 -5.984 -2.272 1.00 0.00 H new ATOM 0 HB VAL A 50 3.328 -6.273 -5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.835 -4.395 -5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.926 -5.823 -5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.166 -4.443 -3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.107 -3.954 -4.763 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.538 -3.983 -3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.859 -5.060 -3.589 1.00 0.00 H new ATOM 760 N ASP A 51 0.415 -7.435 -3.562 1.00 0.00 N ATOM 761 CA ASP A 51 -0.573 -8.446 -3.936 1.00 0.00 C ATOM 762 C ASP A 51 -0.091 -9.296 -5.107 1.00 0.00 C ATOM 763 O ASP A 51 -0.171 -8.885 -6.264 1.00 0.00 O ATOM 764 CB ASP A 51 -1.882 -7.764 -4.318 1.00 0.00 C ATOM 765 CG ASP A 51 -1.671 -6.665 -5.340 1.00 0.00 C ATOM 766 OD1 ASP A 51 -1.263 -5.554 -4.940 1.00 0.00 O ATOM 767 OD2 ASP A 51 -1.916 -6.913 -6.538 1.00 0.00 O ATOM 0 H ASP A 51 0.022 -6.512 -3.378 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.723 -9.101 -3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.573 -8.505 -4.720 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.347 -7.345 -3.425 1.00 0.00 H new ATOM 772 N GLY A 52 0.412 -10.484 -4.787 1.00 0.00 N ATOM 773 CA GLY A 52 0.906 -11.382 -5.812 1.00 0.00 C ATOM 774 C GLY A 52 2.035 -10.769 -6.613 1.00 0.00 C ATOM 775 O GLY A 52 2.271 -11.152 -7.759 1.00 0.00 O ATOM 0 H GLY A 52 0.486 -10.840 -3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.252 -12.306 -5.348 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.090 -11.649 -6.483 1.00 0.00 H new ATOM 779 N ALA A 53 2.731 -9.809 -6.012 1.00 0.00 N ATOM 780 CA ALA A 53 3.833 -9.137 -6.682 1.00 0.00 C ATOM 781 C ALA A 53 4.947 -8.758 -5.708 1.00 0.00 C ATOM 782 O ALA A 53 5.079 -7.594 -5.326 1.00 0.00 O ATOM 783 CB ALA A 53 3.323 -7.902 -7.410 1.00 0.00 C ATOM 0 H ALA A 53 2.550 -9.481 -5.063 1.00 0.00 H new ATOM 0 HA ALA A 53 4.257 -9.834 -7.405 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.155 -7.405 -7.909 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.580 -8.197 -8.150 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.869 -7.218 -6.693 1.00 0.00 H new ATOM 789 N VAL A 54 5.747 -9.740 -5.303 1.00 0.00 N ATOM 790 CA VAL A 54 6.847 -9.489 -4.382 1.00 0.00 C ATOM 791 C VAL A 54 8.085 -9.022 -5.148 1.00 0.00 C ATOM 792 O VAL A 54 9.146 -9.644 -5.084 1.00 0.00 O ATOM 793 CB VAL A 54 7.191 -10.751 -3.563 1.00 0.00 C ATOM 794 CG1 VAL A 54 7.580 -11.900 -4.480 1.00 0.00 C ATOM 795 CG2 VAL A 54 8.296 -10.461 -2.553 1.00 0.00 C ATOM 0 H VAL A 54 5.654 -10.712 -5.597 1.00 0.00 H new ATOM 0 HA VAL A 54 6.530 -8.706 -3.693 1.00 0.00 H new ATOM 0 HB VAL A 54 6.300 -11.048 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.818 -12.779 -3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.750 -12.130 -5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.451 -11.616 -5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.520 -11.366 -1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.192 -10.130 -3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.967 -9.679 -1.869 1.00 0.00 H new ATOM 805 N GLU A 55 7.935 -7.925 -5.885 1.00 0.00 N ATOM 806 CA GLU A 55 9.030 -7.373 -6.675 1.00 0.00 C ATOM 807 C GLU A 55 9.674 -6.190 -5.957 1.00 0.00 C ATOM 808 O GLU A 55 9.498 -6.026 -4.754 1.00 0.00 O ATOM 809 CB GLU A 55 8.515 -6.956 -8.055 1.00 0.00 C ATOM 810 CG GLU A 55 8.729 -8.016 -9.124 1.00 0.00 C ATOM 811 CD GLU A 55 7.449 -8.389 -9.847 1.00 0.00 C ATOM 812 OE1 GLU A 55 6.359 -8.162 -9.282 1.00 0.00 O ATOM 813 OE2 GLU A 55 7.539 -8.910 -10.978 1.00 0.00 O ATOM 0 H GLU A 55 7.063 -7.400 -5.951 1.00 0.00 H new ATOM 0 HA GLU A 55 9.793 -8.141 -6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.451 -6.731 -7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.016 -6.037 -8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.457 -7.653 -9.849 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.154 -8.908 -8.664 1.00 0.00 H new ATOM 820 N THR A 56 10.432 -5.377 -6.691 1.00 0.00 N ATOM 821 CA THR A 56 11.102 -4.224 -6.095 1.00 0.00 C ATOM 822 C THR A 56 11.154 -3.031 -7.049 1.00 0.00 C ATOM 823 O THR A 56 12.222 -2.472 -7.301 1.00 0.00 O ATOM 824 CB THR A 56 12.516 -4.609 -5.660 1.00 0.00 C ATOM 825 OG1 THR A 56 13.259 -3.461 -5.288 1.00 0.00 O ATOM 826 CG2 THR A 56 13.293 -5.333 -6.736 1.00 0.00 C ATOM 0 H THR A 56 10.596 -5.494 -7.691 1.00 0.00 H new ATOM 0 HA THR A 56 10.520 -3.921 -5.225 1.00 0.00 H new ATOM 0 HB THR A 56 12.385 -5.282 -4.813 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.358 -2.870 -6.063 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.288 -5.578 -6.364 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.771 -6.251 -7.007 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.381 -4.693 -7.614 1.00 0.00 H new ATOM 834 N ARG A 57 9.998 -2.640 -7.576 1.00 0.00 N ATOM 835 CA ARG A 57 9.919 -1.510 -8.496 1.00 0.00 C ATOM 836 C ARG A 57 9.462 -0.240 -7.778 1.00 0.00 C ATOM 837 O ARG A 57 9.072 -0.279 -6.611 1.00 0.00 O ATOM 838 CB ARG A 57 8.966 -1.835 -9.642 1.00 0.00 C ATOM 839 CG ARG A 57 7.556 -2.170 -9.181 1.00 0.00 C ATOM 840 CD ARG A 57 7.228 -3.642 -9.377 1.00 0.00 C ATOM 841 NE ARG A 57 6.393 -3.862 -10.557 1.00 0.00 N ATOM 842 CZ ARG A 57 6.871 -4.067 -11.783 1.00 0.00 C ATOM 843 NH1 ARG A 57 8.179 -4.126 -11.997 1.00 0.00 N ATOM 844 NH2 ARG A 57 6.035 -4.225 -12.800 1.00 0.00 N ATOM 0 H ARG A 57 9.103 -3.089 -7.382 1.00 0.00 H new ATOM 0 HA ARG A 57 10.917 -1.330 -8.896 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.925 -0.984 -10.322 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.365 -2.677 -10.208 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.448 -1.911 -8.128 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.840 -1.562 -9.734 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.153 -4.210 -9.476 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.714 -4.020 -8.493 1.00 0.00 H new ATOM 0 HE ARG A 57 5.381 -3.858 -10.433 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.829 -4.014 -11.219 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.535 -4.283 -12.940 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.028 -4.189 -12.643 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.399 -4.382 -13.740 1.00 0.00 H new ATOM 858 N LYS A 58 9.501 0.885 -8.491 1.00 0.00 N ATOM 859 CA LYS A 58 9.083 2.168 -7.929 1.00 0.00 C ATOM 860 C LYS A 58 7.561 2.271 -7.887 1.00 0.00 C ATOM 861 O LYS A 58 6.979 2.633 -6.864 1.00 0.00 O ATOM 862 CB LYS A 58 9.652 3.322 -8.757 1.00 0.00 C ATOM 863 CG LYS A 58 11.150 3.512 -8.595 1.00 0.00 C ATOM 864 CD LYS A 58 11.792 4.006 -9.882 1.00 0.00 C ATOM 865 CE LYS A 58 12.794 3.002 -10.430 1.00 0.00 C ATOM 866 NZ LYS A 58 13.452 3.494 -11.671 1.00 0.00 N ATOM 0 H LYS A 58 9.818 0.934 -9.459 1.00 0.00 H new ATOM 0 HA LYS A 58 9.468 2.231 -6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.429 3.146 -9.809 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.145 4.245 -8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.343 4.226 -7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.607 2.568 -8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.018 4.192 -10.627 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.292 4.957 -9.698 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.552 2.797 -9.674 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.287 2.060 -10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.127 2.780 -12.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.732 3.666 -12.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.957 4.380 -11.468 1.00 0.00 H new ATOM 880 N ARG A 59 6.924 1.946 -9.008 1.00 0.00 N ATOM 881 CA ARG A 59 5.470 1.995 -9.112 1.00 0.00 C ATOM 882 C ARG A 59 4.919 0.621 -9.461 1.00 0.00 C ATOM 883 O ARG A 59 5.528 -0.114 -10.235 1.00 0.00 O ATOM 884 CB ARG A 59 5.049 3.004 -10.178 1.00 0.00 C ATOM 885 CG ARG A 59 5.757 4.343 -10.056 1.00 0.00 C ATOM 886 CD ARG A 59 6.831 4.501 -11.118 1.00 0.00 C ATOM 887 NE ARG A 59 7.800 5.535 -10.763 1.00 0.00 N ATOM 888 CZ ARG A 59 8.149 6.541 -11.563 1.00 0.00 C ATOM 889 NH1 ARG A 59 7.615 6.663 -12.774 1.00 0.00 N ATOM 890 NH2 ARG A 59 9.039 7.432 -11.149 1.00 0.00 N ATOM 0 H ARG A 59 7.395 1.644 -9.861 1.00 0.00 H new ATOM 0 HA ARG A 59 5.066 2.306 -8.148 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.249 2.584 -11.164 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.973 3.163 -10.112 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.030 5.150 -10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.206 4.430 -9.067 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.348 3.551 -11.256 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.365 4.752 -12.071 1.00 0.00 H new ATOM 0 HE ARG A 59 8.238 5.483 -9.843 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.930 5.982 -13.100 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.891 7.438 -13.377 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.454 7.345 -10.221 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.309 8.204 -11.758 1.00 0.00 H new ATOM 904 N CYS A 60 3.769 0.268 -8.895 1.00 0.00 N ATOM 905 CA CYS A 60 3.174 -1.031 -9.170 1.00 0.00 C ATOM 906 C CYS A 60 1.749 -0.879 -9.695 1.00 0.00 C ATOM 907 O CYS A 60 0.876 -0.344 -9.012 1.00 0.00 O ATOM 908 CB CYS A 60 3.203 -1.894 -7.908 1.00 0.00 C ATOM 909 SG CYS A 60 3.216 -3.675 -8.229 1.00 0.00 S ATOM 0 H CYS A 60 3.238 0.856 -8.252 1.00 0.00 H new ATOM 0 HA CYS A 60 3.759 -1.526 -9.945 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.086 -1.635 -7.324 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.334 -1.653 -7.296 1.00 0.00 H new ATOM 0 HG CYS A 60 2.146 -4.005 -8.890 1.00 0.00 H new ATOM 915 N LYS A 61 1.527 -1.349 -10.920 1.00 0.00 N ATOM 916 CA LYS A 61 0.215 -1.264 -11.554 1.00 0.00 C ATOM 917 C LYS A 61 -0.770 -2.245 -10.925 1.00 0.00 C ATOM 918 O LYS A 61 -0.767 -3.434 -11.247 1.00 0.00 O ATOM 919 CB LYS A 61 0.332 -1.537 -13.055 1.00 0.00 C ATOM 920 CG LYS A 61 0.610 -0.291 -13.883 1.00 0.00 C ATOM 921 CD LYS A 61 2.048 -0.255 -14.383 1.00 0.00 C ATOM 922 CE LYS A 61 2.111 -0.150 -15.899 1.00 0.00 C ATOM 923 NZ LYS A 61 3.250 0.695 -16.352 1.00 0.00 N ATOM 0 H LYS A 61 2.242 -1.794 -11.495 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.164 -0.254 -11.400 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.131 -2.260 -13.223 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.592 -1.996 -13.405 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.072 -0.260 -14.733 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.411 0.597 -13.282 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.568 0.593 -13.937 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.570 -1.155 -14.058 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.206 -1.147 -16.328 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.177 0.270 -16.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.257 0.741 -17.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.146 1.654 -15.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.144 0.281 -16.018 1.00 0.00 H new ATOM 937 N ILE A 62 -1.615 -1.736 -10.036 1.00 0.00 N ATOM 938 CA ILE A 62 -2.615 -2.561 -9.366 1.00 0.00 C ATOM 939 C ILE A 62 -3.946 -1.829 -9.276 1.00 0.00 C ATOM 940 O ILE A 62 -3.989 -0.618 -9.058 1.00 0.00 O ATOM 941 CB ILE A 62 -2.167 -2.958 -7.943 1.00 0.00 C ATOM 942 CG1 ILE A 62 -0.834 -3.699 -7.988 1.00 0.00 C ATOM 943 CG2 ILE A 62 -3.225 -3.812 -7.258 1.00 0.00 C ATOM 944 CD1 ILE A 62 0.285 -2.940 -7.325 1.00 0.00 C ATOM 0 H ILE A 62 -1.628 -0.754 -9.762 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.730 -3.465 -9.964 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.038 -2.044 -7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.947 -4.668 -7.501 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.568 -3.893 -9.027 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.885 -4.079 -6.257 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.156 -3.250 -7.188 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.392 -4.720 -7.838 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.206 -3.519 -7.390 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.422 -1.982 -7.827 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.038 -2.768 -6.277 1.00 0.00 H new ATOM 956 N VAL A 63 -5.029 -2.573 -9.439 1.00 0.00 N ATOM 957 CA VAL A 63 -6.366 -2.008 -9.371 1.00 0.00 C ATOM 958 C VAL A 63 -7.340 -3.014 -8.757 1.00 0.00 C ATOM 959 O VAL A 63 -6.970 -4.158 -8.488 1.00 0.00 O ATOM 960 CB VAL A 63 -6.881 -1.607 -10.765 1.00 0.00 C ATOM 961 CG1 VAL A 63 -6.146 -0.381 -11.276 1.00 0.00 C ATOM 962 CG2 VAL A 63 -6.740 -2.765 -11.741 1.00 0.00 C ATOM 0 H VAL A 63 -5.006 -3.576 -9.621 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.308 -1.117 -8.746 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.939 -1.358 -10.681 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.525 -0.114 -12.263 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.304 0.451 -10.589 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.080 -0.598 -11.343 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.109 -2.462 -12.721 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.690 -3.048 -11.820 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.319 -3.616 -11.382 1.00 0.00 H new ATOM 972 N ALA A 64 -8.585 -2.594 -8.552 1.00 0.00 N ATOM 973 CA ALA A 64 -9.612 -3.473 -7.991 1.00 0.00 C ATOM 974 C ALA A 64 -9.389 -3.735 -6.490 1.00 0.00 C ATOM 975 O ALA A 64 -9.069 -2.812 -5.741 1.00 0.00 O ATOM 976 CB ALA A 64 -9.672 -4.769 -8.797 1.00 0.00 C ATOM 0 H ALA A 64 -8.909 -1.651 -8.765 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.578 -2.973 -8.067 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.437 -5.423 -8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.917 -4.541 -9.834 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.704 -5.269 -8.754 1.00 0.00 H new ATOM 982 N GLY A 65 -9.577 -4.986 -6.047 1.00 0.00 N ATOM 983 CA GLY A 65 -9.410 -5.318 -4.643 1.00 0.00 C ATOM 984 C GLY A 65 -8.140 -6.099 -4.362 1.00 0.00 C ATOM 985 O GLY A 65 -8.160 -7.330 -4.310 1.00 0.00 O ATOM 0 H GLY A 65 -9.842 -5.771 -6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.401 -4.399 -4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.269 -5.900 -4.309 1.00 0.00 H new ATOM 989 N GLN A 66 -7.033 -5.387 -4.188 1.00 0.00 N ATOM 990 CA GLN A 66 -5.746 -6.027 -3.922 1.00 0.00 C ATOM 991 C GLN A 66 -5.117 -5.534 -2.616 1.00 0.00 C ATOM 992 O GLN A 66 -5.568 -4.553 -2.027 1.00 0.00 O ATOM 993 CB GLN A 66 -4.789 -5.775 -5.085 1.00 0.00 C ATOM 994 CG GLN A 66 -5.361 -6.172 -6.436 1.00 0.00 C ATOM 995 CD GLN A 66 -5.274 -7.663 -6.689 1.00 0.00 C ATOM 996 OE1 GLN A 66 -6.421 -8.292 -6.912 1.00 0.00 O flip ATOM 997 NE2 GLN A 66 -4.188 -8.243 -6.685 1.00 0.00 N flip ATOM 0 H GLN A 66 -6.998 -4.368 -4.226 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.928 -7.097 -3.817 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.526 -4.717 -5.107 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.866 -6.329 -4.913 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.403 -5.858 -6.492 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.826 -5.642 -7.223 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.331 -7.719 -6.509 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.146 -9.247 -6.858 1.00 0.00 H new ATOM 1006 N THR A 67 -4.079 -6.243 -2.162 1.00 0.00 N ATOM 1007 CA THR A 67 -3.387 -5.905 -0.915 1.00 0.00 C ATOM 1008 C THR A 67 -1.916 -5.550 -1.151 1.00 0.00 C ATOM 1009 O THR A 67 -1.232 -6.185 -1.953 1.00 0.00 O ATOM 1010 CB THR A 67 -3.470 -7.086 0.059 1.00 0.00 C ATOM 1011 OG1 THR A 67 -4.758 -7.682 0.033 1.00 0.00 O ATOM 1012 CG2 THR A 67 -3.169 -6.710 1.494 1.00 0.00 C ATOM 0 H THR A 67 -3.698 -7.058 -2.642 1.00 0.00 H new ATOM 0 HA THR A 67 -3.881 -5.029 -0.494 1.00 0.00 H new ATOM 0 HB THR A 67 -2.707 -7.784 -0.284 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.784 -8.433 0.662 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.247 -7.595 2.126 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.159 -6.305 1.560 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.884 -5.960 1.831 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.432 -4.545 -0.423 1.00 0.00 N ATOM 1021 CA VAL A 68 -0.039 -4.115 -0.522 1.00 0.00 C ATOM 1022 C VAL A 68 0.621 -4.175 0.857 1.00 0.00 C ATOM 1023 O VAL A 68 -0.039 -3.952 1.872 1.00 0.00 O ATOM 1024 CB VAL A 68 0.072 -2.686 -1.122 1.00 0.00 C ATOM 1025 CG1 VAL A 68 0.958 -1.776 -0.279 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.595 -2.756 -2.547 1.00 0.00 C ATOM 0 H VAL A 68 -1.988 -4.011 0.245 1.00 0.00 H new ATOM 0 HA VAL A 68 0.483 -4.794 -1.197 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.929 -2.254 -1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.006 -0.788 -0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.541 -1.691 0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.961 -2.198 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.669 -1.749 -2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.580 -3.222 -2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.088 -3.347 -3.157 1.00 0.00 H new ATOM 1036 N SER A 69 1.915 -4.493 0.900 1.00 0.00 N ATOM 1037 CA SER A 69 2.616 -4.593 2.178 1.00 0.00 C ATOM 1038 C SER A 69 4.034 -4.011 2.131 1.00 0.00 C ATOM 1039 O SER A 69 4.795 -4.269 1.195 1.00 0.00 O ATOM 1040 CB SER A 69 2.671 -6.053 2.628 1.00 0.00 C ATOM 1041 OG SER A 69 3.660 -6.770 1.914 1.00 0.00 O ATOM 0 H SER A 69 2.490 -4.683 0.079 1.00 0.00 H new ATOM 0 HA SER A 69 2.051 -3.998 2.895 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.884 -6.100 3.696 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.698 -6.520 2.476 1.00 0.00 H new ATOM 0 HG SER A 69 3.974 -6.230 1.159 1.00 0.00 H new ATOM 1047 N PHE A 70 4.382 -3.247 3.174 1.00 0.00 N ATOM 1048 CA PHE A 70 5.711 -2.639 3.300 1.00 0.00 C ATOM 1049 C PHE A 70 6.192 -2.710 4.748 1.00 0.00 C ATOM 1050 O PHE A 70 5.553 -2.173 5.651 1.00 0.00 O ATOM 1051 CB PHE A 70 5.704 -1.177 2.829 1.00 0.00 C ATOM 1052 CG PHE A 70 6.951 -0.401 3.188 1.00 0.00 C ATOM 1053 CD1 PHE A 70 8.169 -1.042 3.351 1.00 0.00 C ATOM 1054 CD2 PHE A 70 6.903 0.973 3.357 1.00 0.00 C ATOM 1055 CE1 PHE A 70 9.310 -0.335 3.673 1.00 0.00 C ATOM 1056 CE2 PHE A 70 8.043 1.686 3.682 1.00 0.00 C ATOM 1057 CZ PHE A 70 9.245 1.031 3.840 1.00 0.00 C ATOM 0 H PHE A 70 3.754 -3.034 3.949 1.00 0.00 H new ATOM 0 HA PHE A 70 6.394 -3.202 2.663 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.577 -1.157 1.747 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.840 -0.673 3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.226 -2.113 3.224 1.00 0.00 H new ATOM 0 HD2 PHE A 70 5.965 1.494 3.234 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.251 -0.851 3.794 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.991 2.757 3.812 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.135 1.588 4.094 1.00 0.00 H new ATOM 1067 N ALA A 71 7.334 -3.359 4.954 1.00 0.00 N ATOM 1068 CA ALA A 71 7.931 -3.493 6.281 1.00 0.00 C ATOM 1069 C ALA A 71 6.895 -3.775 7.370 1.00 0.00 C ATOM 1070 O ALA A 71 7.105 -3.425 8.532 1.00 0.00 O ATOM 1071 CB ALA A 71 8.716 -2.237 6.621 1.00 0.00 C ATOM 0 H ALA A 71 7.871 -3.805 4.210 1.00 0.00 H new ATOM 0 HA ALA A 71 8.599 -4.354 6.248 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.159 -2.342 7.611 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.505 -2.091 5.884 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.047 -1.376 6.612 1.00 0.00 H new ATOM 1077 N GLY A 72 5.787 -4.414 7.005 1.00 0.00 N ATOM 1078 CA GLY A 72 4.763 -4.726 7.987 1.00 0.00 C ATOM 1079 C GLY A 72 3.466 -3.974 7.773 1.00 0.00 C ATOM 1080 O GLY A 72 2.485 -4.218 8.476 1.00 0.00 O ATOM 0 H GLY A 72 5.581 -4.719 6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.561 -5.797 7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.145 -4.498 8.982 1.00 0.00 H new ATOM 1084 N HIS A 73 3.450 -3.053 6.817 1.00 0.00 N ATOM 1085 CA HIS A 73 2.249 -2.274 6.550 1.00 0.00 C ATOM 1086 C HIS A 73 1.348 -2.988 5.548 1.00 0.00 C ATOM 1087 O HIS A 73 1.492 -2.803 4.343 1.00 0.00 O ATOM 1088 CB HIS A 73 2.605 -0.891 5.997 1.00 0.00 C ATOM 1089 CG HIS A 73 3.791 -0.243 6.640 1.00 0.00 C ATOM 1090 ND1 HIS A 73 4.366 -0.701 7.805 1.00 0.00 N ATOM 1091 CD2 HIS A 73 4.515 0.843 6.268 1.00 0.00 C ATOM 1092 CE1 HIS A 73 5.389 0.072 8.125 1.00 0.00 C ATOM 1093 NE2 HIS A 73 5.500 1.016 7.207 1.00 0.00 N ATOM 0 H HIS A 73 4.246 -2.829 6.220 1.00 0.00 H new ATOM 0 HA HIS A 73 1.720 -2.161 7.496 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.794 -0.981 4.927 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.742 -0.235 6.115 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.347 1.457 5.395 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.026 -0.047 8.989 1.00 0.00 H new ATOM 0 HE2 HIS A 73 6.204 1.754 7.198 1.00 0.00 H new ATOM 1101 N SER A 74 0.421 -3.798 6.045 1.00 0.00 N ATOM 1102 CA SER A 74 -0.492 -4.531 5.172 1.00 0.00 C ATOM 1103 C SER A 74 -1.839 -3.819 5.048 1.00 0.00 C ATOM 1104 O SER A 74 -2.558 -3.654 6.032 1.00 0.00 O ATOM 1105 CB SER A 74 -0.701 -5.953 5.694 1.00 0.00 C ATOM 1106 OG SER A 74 0.300 -6.306 6.634 1.00 0.00 O ATOM 0 H SER A 74 0.281 -3.964 7.042 1.00 0.00 H new ATOM 0 HA SER A 74 -0.039 -4.575 4.182 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.684 -6.032 6.158 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.685 -6.655 4.861 1.00 0.00 H new ATOM 0 HG SER A 74 0.142 -7.219 6.953 1.00 0.00 H new ATOM 1112 N VAL A 75 -2.174 -3.413 3.827 1.00 0.00 N ATOM 1113 CA VAL A 75 -3.437 -2.731 3.558 1.00 0.00 C ATOM 1114 C VAL A 75 -3.991 -3.154 2.201 1.00 0.00 C ATOM 1115 O VAL A 75 -3.236 -3.534 1.307 1.00 0.00 O ATOM 1116 CB VAL A 75 -3.272 -1.199 3.582 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.585 -0.501 3.267 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -2.728 -0.739 4.926 1.00 0.00 C ATOM 0 H VAL A 75 -1.586 -3.545 3.004 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.133 -3.017 4.347 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.554 -0.927 2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.438 0.579 3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.927 -0.799 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.333 -0.782 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.619 0.346 4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.418 -1.032 5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.757 -1.201 5.103 1.00 0.00 H new ATOM 1128 N GLN A 76 -5.310 -3.091 2.053 1.00 0.00 N ATOM 1129 CA GLN A 76 -5.950 -3.482 0.803 1.00 0.00 C ATOM 1130 C GLN A 76 -6.582 -2.287 0.098 1.00 0.00 C ATOM 1131 O GLN A 76 -6.911 -1.279 0.722 1.00 0.00 O ATOM 1132 CB GLN A 76 -7.010 -4.553 1.065 1.00 0.00 C ATOM 1133 CG GLN A 76 -6.479 -5.764 1.813 1.00 0.00 C ATOM 1134 CD GLN A 76 -7.440 -6.936 1.783 1.00 0.00 C ATOM 1135 OE1 GLN A 76 -7.951 -7.361 2.820 1.00 0.00 O ATOM 1136 NE2 GLN A 76 -7.692 -7.466 0.592 1.00 0.00 N ATOM 0 H GLN A 76 -5.953 -2.775 2.779 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.178 -3.888 0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.826 -4.112 1.637 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.428 -4.879 0.113 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.528 -6.068 1.376 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.280 -5.488 2.849 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.247 -7.082 -0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.331 -8.257 0.511 1.00 0.00 H new ATOM 1145 N VAL A 77 -6.739 -2.419 -1.213 1.00 0.00 N ATOM 1146 CA VAL A 77 -7.323 -1.372 -2.039 1.00 0.00 C ATOM 1147 C VAL A 77 -8.557 -1.901 -2.762 1.00 0.00 C ATOM 1148 O VAL A 77 -8.593 -3.066 -3.144 1.00 0.00 O ATOM 1149 CB VAL A 77 -6.301 -0.866 -3.076 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -6.851 0.316 -3.855 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -4.992 -0.501 -2.391 1.00 0.00 C ATOM 0 H VAL A 77 -6.465 -3.253 -1.732 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.609 -0.545 -1.389 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.109 -1.670 -3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.109 0.652 -4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.759 0.016 -4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.081 1.130 -3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.279 -0.145 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.172 0.284 -1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.586 -1.380 -1.890 1.00 0.00 H new ATOM 1161 N VAL A 78 -9.566 -1.051 -2.948 1.00 0.00 N ATOM 1162 CA VAL A 78 -10.790 -1.465 -3.630 1.00 0.00 C ATOM 1163 C VAL A 78 -11.234 -0.437 -4.665 1.00 0.00 C ATOM 1164 O VAL A 78 -10.751 0.696 -4.678 1.00 0.00 O ATOM 1165 CB VAL A 78 -11.944 -1.705 -2.639 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -11.765 -3.033 -1.918 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -12.053 -0.556 -1.644 1.00 0.00 C ATOM 0 H VAL A 78 -9.560 -0.079 -2.639 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.553 -2.402 -4.134 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.875 -1.748 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.591 -3.184 -1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.752 -3.844 -2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.824 -3.024 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.875 -0.748 -0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.122 -0.470 -1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.240 0.374 -2.181 1.00 0.00 H new ATOM 1177 N ALA A 79 -12.157 -0.842 -5.534 1.00 0.00 N ATOM 1178 CA ALA A 79 -12.670 0.038 -6.579 1.00 0.00 C ATOM 1179 C ALA A 79 -13.578 1.115 -5.996 1.00 0.00 C ATOM 1180 O ALA A 79 -14.328 1.740 -6.775 1.00 0.00 O ATOM 1181 CB ALA A 79 -13.416 -0.770 -7.629 1.00 0.00 C ATOM 1182 OXT ALA A 79 -13.533 1.325 -4.766 1.00 0.00 O ATOM 0 H ALA A 79 -12.565 -1.777 -5.534 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.821 0.533 -7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.793 -0.101 -8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.739 -1.497 -8.077 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -14.251 -1.291 -7.161 1.00 0.00 H new