USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=12 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 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= -0.282 X(o=-0.28,f=-0.043) USER MOD Single : A 20 HIS : no HD1:sc= -5.83 K(o=-5.8,f=-12!) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -163:sc=-0.00836 (180deg=-0.0849) USER MOD Single : A 33 SER OG : rot 180:sc= -0.592! USER MOD Single : A 35 SER OG : rot -120:sc= -2.02! USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0428 K(o=-0.043,f=-1.8!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -57:sc= -0.369 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.644 USER MOD Single : A 61 LYS NZ :NH3+ -161:sc= -0.0117 (180deg=-0.166) USER MOD Single : A 66 GLN : amide:sc= -0.595 X(o=-0.6,f=-0.19) USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 69 SER OG : rot -20:sc= 0.519 USER MOD Single : A 73 HIS : no HD1:sc= -2.41! C(o=-2.4!,f=-4.6!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 157 N ALA A 11 -6.581 -1.341 7.527 1.00 0.00 N ATOM 158 CA ALA A 11 -6.359 -0.266 6.566 1.00 0.00 C ATOM 159 C ALA A 11 -6.870 -0.645 5.180 1.00 0.00 C ATOM 160 O ALA A 11 -6.565 -1.723 4.669 1.00 0.00 O ATOM 161 CB ALA A 11 -4.882 0.088 6.496 1.00 0.00 C ATOM 0 HA ALA A 11 -6.919 0.604 6.908 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.734 0.892 5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.539 0.414 7.478 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.312 -0.788 6.185 1.00 0.00 H new ATOM 167 N THR A 12 -7.640 0.251 4.574 1.00 0.00 N ATOM 168 CA THR A 12 -8.185 0.018 3.242 1.00 0.00 C ATOM 169 C THR A 12 -8.128 1.293 2.402 1.00 0.00 C ATOM 170 O THR A 12 -8.515 2.367 2.864 1.00 0.00 O ATOM 171 CB THR A 12 -9.625 -0.488 3.338 1.00 0.00 C ATOM 172 OG1 THR A 12 -10.214 -0.097 4.566 1.00 0.00 O ATOM 173 CG2 THR A 12 -9.735 -1.995 3.237 1.00 0.00 C ATOM 0 H THR A 12 -7.901 1.147 4.985 1.00 0.00 H new ATOM 0 HA THR A 12 -7.577 -0.743 2.753 1.00 0.00 H new ATOM 0 HB THR A 12 -10.146 -0.042 2.491 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.135 -0.429 4.607 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.782 -2.289 3.312 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.333 -2.326 2.279 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.169 -2.456 4.047 1.00 0.00 H new ATOM 181 N PHE A 13 -7.647 1.170 1.168 1.00 0.00 N ATOM 182 CA PHE A 13 -7.545 2.317 0.269 1.00 0.00 C ATOM 183 C PHE A 13 -8.591 2.248 -0.837 1.00 0.00 C ATOM 184 O PHE A 13 -8.983 1.165 -1.270 1.00 0.00 O ATOM 185 CB PHE A 13 -6.150 2.386 -0.357 1.00 0.00 C ATOM 186 CG PHE A 13 -5.913 3.639 -1.156 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.214 4.884 -0.627 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.386 3.570 -2.435 1.00 0.00 C ATOM 189 CE1 PHE A 13 -5.993 6.036 -1.361 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.164 4.718 -3.173 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.468 5.953 -2.634 1.00 0.00 C ATOM 0 H PHE A 13 -7.322 0.290 0.768 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.722 3.214 0.862 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.402 2.321 0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.007 1.520 -1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.626 4.956 0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.145 2.607 -2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.232 7.000 -0.937 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.753 4.649 -4.170 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.295 6.851 -3.208 1.00 0.00 H new ATOM 201 N SER A 14 -9.031 3.415 -1.297 1.00 0.00 N ATOM 202 CA SER A 14 -10.025 3.495 -2.361 1.00 0.00 C ATOM 203 C SER A 14 -9.381 3.941 -3.669 1.00 0.00 C ATOM 204 O SER A 14 -8.391 4.673 -3.666 1.00 0.00 O ATOM 205 CB SER A 14 -11.142 4.464 -1.974 1.00 0.00 C ATOM 206 OG SER A 14 -12.413 3.948 -2.333 1.00 0.00 O ATOM 0 H SER A 14 -8.714 4.320 -0.949 1.00 0.00 H new ATOM 0 HA SER A 14 -10.450 2.502 -2.503 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.111 4.649 -0.900 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.983 5.423 -2.467 1.00 0.00 H new ATOM 0 HG SER A 14 -13.110 4.586 -2.073 1.00 0.00 H new ATOM 212 N LEU A 15 -9.950 3.502 -4.787 1.00 0.00 N ATOM 213 CA LEU A 15 -9.428 3.867 -6.099 1.00 0.00 C ATOM 214 C LEU A 15 -10.528 4.431 -6.991 1.00 0.00 C ATOM 215 O LEU A 15 -10.311 5.395 -7.724 1.00 0.00 O ATOM 216 CB LEU A 15 -8.798 2.651 -6.780 1.00 0.00 C ATOM 217 CG LEU A 15 -7.426 2.244 -6.245 1.00 0.00 C ATOM 218 CD1 LEU A 15 -6.977 0.937 -6.879 1.00 0.00 C ATOM 219 CD2 LEU A 15 -6.405 3.344 -6.497 1.00 0.00 C ATOM 0 H LEU A 15 -10.770 2.895 -4.811 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.669 4.635 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.477 1.804 -6.676 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.708 2.858 -7.846 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.505 2.094 -5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.998 0.660 -6.488 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.697 0.153 -6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.914 1.060 -7.960 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.434 3.035 -6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.326 3.528 -7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.723 4.258 -5.994 1.00 0.00 H new ATOM 231 N GLY A 16 -11.709 3.822 -6.925 1.00 0.00 N ATOM 232 CA GLY A 16 -12.824 4.275 -7.735 1.00 0.00 C ATOM 233 C GLY A 16 -12.867 3.607 -9.097 1.00 0.00 C ATOM 234 O GLY A 16 -13.322 2.470 -9.224 1.00 0.00 O ATOM 0 H GLY A 16 -11.913 3.023 -6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.756 4.075 -7.207 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.757 5.355 -7.866 1.00 0.00 H new ATOM 238 N LYS A 17 -12.394 4.316 -10.118 1.00 0.00 N ATOM 239 CA LYS A 17 -12.384 3.786 -11.477 1.00 0.00 C ATOM 240 C LYS A 17 -11.206 4.340 -12.271 1.00 0.00 C ATOM 241 O LYS A 17 -11.378 4.894 -13.358 1.00 0.00 O ATOM 242 CB LYS A 17 -13.696 4.123 -12.186 1.00 0.00 C ATOM 243 CG LYS A 17 -14.134 3.062 -13.177 1.00 0.00 C ATOM 244 CD LYS A 17 -14.850 1.919 -12.480 1.00 0.00 C ATOM 245 CE LYS A 17 -16.309 2.257 -12.220 1.00 0.00 C ATOM 246 NZ LYS A 17 -17.129 1.038 -11.980 1.00 0.00 N ATOM 0 H LYS A 17 -12.013 5.258 -10.030 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.278 2.703 -11.417 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.479 4.259 -11.440 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.585 5.073 -12.708 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.794 3.507 -13.922 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.264 2.678 -13.710 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -14.787 1.020 -13.093 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.352 1.697 -11.536 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -16.380 2.918 -11.356 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -16.712 2.803 -13.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -18.117 1.313 -11.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -17.083 0.419 -12.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -16.761 0.530 -11.151 1.00 0.00 H new ATOM 260 N HIS A 18 -10.007 4.190 -11.720 1.00 0.00 N ATOM 261 CA HIS A 18 -8.797 4.677 -12.371 1.00 0.00 C ATOM 262 C HIS A 18 -7.984 3.517 -12.950 1.00 0.00 C ATOM 263 O HIS A 18 -8.210 2.359 -12.595 1.00 0.00 O ATOM 264 CB HIS A 18 -7.957 5.471 -11.368 1.00 0.00 C ATOM 265 CG HIS A 18 -8.648 6.697 -10.856 1.00 0.00 C ATOM 266 ND1 HIS A 18 -9.233 7.634 -11.683 1.00 0.00 N ATOM 267 CD2 HIS A 18 -8.851 7.137 -9.593 1.00 0.00 C ATOM 268 CE1 HIS A 18 -9.766 8.596 -10.951 1.00 0.00 C ATOM 269 NE2 HIS A 18 -9.547 8.317 -9.680 1.00 0.00 N ATOM 0 H HIS A 18 -9.847 3.734 -10.822 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.082 5.330 -13.196 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.704 4.827 -10.526 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.019 5.762 -11.840 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.526 6.650 -8.685 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.291 9.462 -11.328 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -9.847 8.887 -8.889 1.00 0.00 H new ATOM 277 N PRO A 19 -7.028 3.808 -13.855 1.00 0.00 N ATOM 278 CA PRO A 19 -6.187 2.776 -14.479 1.00 0.00 C ATOM 279 C PRO A 19 -5.417 1.956 -13.448 1.00 0.00 C ATOM 280 O PRO A 19 -5.371 0.731 -13.529 1.00 0.00 O ATOM 281 CB PRO A 19 -5.215 3.577 -15.359 1.00 0.00 C ATOM 282 CG PRO A 19 -5.276 4.970 -14.830 1.00 0.00 C ATOM 283 CD PRO A 19 -6.684 5.153 -14.345 1.00 0.00 C ATOM 0 HA PRO A 19 -6.783 2.053 -15.035 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.204 3.175 -15.297 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.509 3.540 -16.408 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.560 5.114 -14.021 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.031 5.695 -15.606 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.747 5.901 -13.555 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.350 5.476 -15.145 1.00 0.00 H new ATOM 291 N HIS A 20 -4.826 2.650 -12.477 1.00 0.00 N ATOM 292 CA HIS A 20 -4.059 2.013 -11.407 1.00 0.00 C ATOM 293 C HIS A 20 -3.328 3.072 -10.590 1.00 0.00 C ATOM 294 O HIS A 20 -3.629 4.261 -10.702 1.00 0.00 O ATOM 295 CB HIS A 20 -3.076 0.977 -11.962 1.00 0.00 C ATOM 296 CG HIS A 20 -1.914 1.576 -12.671 1.00 0.00 C ATOM 297 ND1 HIS A 20 -0.944 2.293 -12.020 1.00 0.00 N ATOM 298 CD2 HIS A 20 -1.564 1.566 -13.979 1.00 0.00 C ATOM 299 CE1 HIS A 20 -0.046 2.703 -12.886 1.00 0.00 C ATOM 300 NE2 HIS A 20 -0.397 2.276 -14.086 1.00 0.00 N ATOM 0 H HIS A 20 -4.865 3.667 -12.409 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.755 1.483 -10.756 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.711 0.359 -11.141 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.607 0.316 -12.647 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.102 1.089 -14.785 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.831 3.290 -12.656 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.117 2.447 -14.951 1.00 0.00 H new ATOM 308 N VAL A 21 -2.379 2.652 -9.758 1.00 0.00 N ATOM 309 CA VAL A 21 -1.642 3.607 -8.931 1.00 0.00 C ATOM 310 C VAL A 21 -0.198 3.191 -8.684 1.00 0.00 C ATOM 311 O VAL A 21 0.155 2.017 -8.784 1.00 0.00 O ATOM 312 CB VAL A 21 -2.325 3.801 -7.570 1.00 0.00 C ATOM 313 CG1 VAL A 21 -3.664 4.500 -7.738 1.00 0.00 C ATOM 314 CG2 VAL A 21 -2.497 2.460 -6.870 1.00 0.00 C ATOM 0 H VAL A 21 -2.105 1.677 -9.638 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.641 4.540 -9.495 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.690 4.433 -6.949 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.132 4.628 -6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.510 5.476 -8.198 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.312 3.897 -8.375 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.983 2.612 -5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.112 1.804 -7.486 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.520 2.002 -6.716 1.00 0.00 H new ATOM 324 N GLU A 22 0.626 4.175 -8.333 1.00 0.00 N ATOM 325 CA GLU A 22 2.033 3.941 -8.038 1.00 0.00 C ATOM 326 C GLU A 22 2.206 3.603 -6.561 1.00 0.00 C ATOM 327 O GLU A 22 1.557 4.205 -5.708 1.00 0.00 O ATOM 328 CB GLU A 22 2.859 5.187 -8.376 1.00 0.00 C ATOM 329 CG GLU A 22 3.616 5.091 -9.690 1.00 0.00 C ATOM 330 CD GLU A 22 3.835 6.448 -10.328 1.00 0.00 C ATOM 331 OE1 GLU A 22 2.851 7.037 -10.824 1.00 0.00 O ATOM 332 OE2 GLU A 22 4.990 6.923 -10.330 1.00 0.00 O ATOM 0 H GLU A 22 0.338 5.150 -8.246 1.00 0.00 H new ATOM 0 HA GLU A 22 2.382 3.105 -8.644 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.195 6.051 -8.414 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.571 5.367 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.580 4.613 -9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.063 4.453 -10.379 1.00 0.00 H new ATOM 339 N LEU A 23 3.070 2.637 -6.259 1.00 0.00 N ATOM 340 CA LEU A 23 3.305 2.230 -4.873 1.00 0.00 C ATOM 341 C LEU A 23 3.426 3.444 -3.951 1.00 0.00 C ATOM 342 O LEU A 23 3.035 3.393 -2.783 1.00 0.00 O ATOM 343 CB LEU A 23 4.563 1.362 -4.759 1.00 0.00 C ATOM 344 CG LEU A 23 5.736 1.759 -5.657 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.372 3.053 -5.171 1.00 0.00 C ATOM 346 CD2 LEU A 23 6.765 0.640 -5.690 1.00 0.00 C ATOM 0 H LEU A 23 3.617 2.123 -6.950 1.00 0.00 H new ATOM 0 HA LEU A 23 2.443 1.641 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.901 1.382 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.291 0.331 -4.985 1.00 0.00 H new ATOM 0 HG LEU A 23 5.362 1.925 -6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.204 3.317 -5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.630 3.852 -5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.738 2.919 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.597 0.930 -6.331 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.132 0.454 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.304 -0.267 -6.081 1.00 0.00 H new ATOM 358 N CYS A 24 3.963 4.538 -4.486 1.00 0.00 N ATOM 359 CA CYS A 24 4.130 5.767 -3.716 1.00 0.00 C ATOM 360 C CYS A 24 2.786 6.454 -3.493 1.00 0.00 C ATOM 361 O CYS A 24 2.529 7.006 -2.424 1.00 0.00 O ATOM 362 CB CYS A 24 5.090 6.716 -4.437 1.00 0.00 C ATOM 363 SG CYS A 24 5.606 8.138 -3.447 1.00 0.00 S ATOM 0 H CYS A 24 4.290 4.598 -5.450 1.00 0.00 H new ATOM 0 HA CYS A 24 4.549 5.506 -2.744 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.976 6.158 -4.741 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.612 7.076 -5.348 1.00 0.00 H new ATOM 0 HG CYS A 24 6.417 8.879 -4.142 1.00 0.00 H new ATOM 369 N ASP A 25 1.931 6.415 -4.510 1.00 0.00 N ATOM 370 CA ASP A 25 0.610 7.031 -4.426 1.00 0.00 C ATOM 371 C ASP A 25 -0.225 6.370 -3.338 1.00 0.00 C ATOM 372 O ASP A 25 -0.727 7.036 -2.432 1.00 0.00 O ATOM 373 CB ASP A 25 -0.113 6.921 -5.769 1.00 0.00 C ATOM 374 CG ASP A 25 0.677 7.543 -6.904 1.00 0.00 C ATOM 375 OD1 ASP A 25 1.854 7.902 -6.684 1.00 0.00 O ATOM 376 OD2 ASP A 25 0.119 7.671 -8.014 1.00 0.00 O ATOM 0 H ASP A 25 2.129 5.963 -5.403 1.00 0.00 H new ATOM 0 HA ASP A 25 0.742 8.084 -4.175 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.300 5.871 -5.993 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.085 7.409 -5.696 1.00 0.00 H new ATOM 381 N LEU A 26 -0.368 5.054 -3.439 1.00 0.00 N ATOM 382 CA LEU A 26 -1.142 4.286 -2.471 1.00 0.00 C ATOM 383 C LEU A 26 -0.643 4.530 -1.049 1.00 0.00 C ATOM 384 O LEU A 26 -1.434 4.715 -0.125 1.00 0.00 O ATOM 385 CB LEU A 26 -1.058 2.798 -2.807 1.00 0.00 C ATOM 386 CG LEU A 26 -2.279 1.978 -2.394 1.00 0.00 C ATOM 387 CD1 LEU A 26 -3.091 1.576 -3.615 1.00 0.00 C ATOM 388 CD2 LEU A 26 -1.859 0.750 -1.603 1.00 0.00 C ATOM 0 H LEU A 26 0.044 4.494 -4.185 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.180 4.613 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.912 2.690 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.176 2.380 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.906 2.598 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.956 0.993 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.427 2.471 -4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.472 0.976 -4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.744 0.180 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.208 0.127 -2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.324 1.061 -0.706 1.00 0.00 H new ATOM 400 N LEU A 27 0.676 4.524 -0.885 1.00 0.00 N ATOM 401 CA LEU A 27 1.295 4.742 0.422 1.00 0.00 C ATOM 402 C LEU A 27 0.964 6.125 0.972 1.00 0.00 C ATOM 403 O LEU A 27 0.310 6.256 2.006 1.00 0.00 O ATOM 404 CB LEU A 27 2.814 4.597 0.315 1.00 0.00 C ATOM 405 CG LEU A 27 3.369 3.209 0.621 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.547 2.129 -0.071 1.00 0.00 C ATOM 407 CD2 LEU A 27 4.829 3.123 0.204 1.00 0.00 C ATOM 0 H LEU A 27 1.341 4.370 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 27 0.896 3.991 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.117 4.875 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.278 5.312 0.995 1.00 0.00 H new ATOM 0 HG LEU A 27 3.303 3.042 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.963 1.149 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.515 2.178 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.574 2.286 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.213 2.128 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.914 3.313 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.408 3.867 0.751 1.00 0.00 H new ATOM 419 N LYS A 28 1.435 7.157 0.274 1.00 0.00 N ATOM 420 CA LYS A 28 1.205 8.539 0.689 1.00 0.00 C ATOM 421 C LYS A 28 -0.263 8.767 1.040 1.00 0.00 C ATOM 422 O LYS A 28 -0.587 9.266 2.117 1.00 0.00 O ATOM 423 CB LYS A 28 1.636 9.506 -0.417 1.00 0.00 C ATOM 424 CG LYS A 28 1.638 10.965 0.016 1.00 0.00 C ATOM 425 CD LYS A 28 1.289 11.892 -1.137 1.00 0.00 C ATOM 426 CE LYS A 28 2.536 12.491 -1.769 1.00 0.00 C ATOM 427 NZ LYS A 28 3.166 13.518 -0.893 1.00 0.00 N ATOM 0 H LYS A 28 1.979 7.061 -0.583 1.00 0.00 H new ATOM 0 HA LYS A 28 1.805 8.728 1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.636 9.235 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.968 9.390 -1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.922 11.106 0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.620 11.227 0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.727 11.341 -1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.642 12.692 -0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.255 11.698 -1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.277 12.941 -2.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.822 14.098 -1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.428 14.126 -0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.689 13.047 -0.127 1.00 0.00 H new ATOM 441 N LEU A 29 -1.143 8.399 0.119 1.00 0.00 N ATOM 442 CA LEU A 29 -2.576 8.561 0.322 1.00 0.00 C ATOM 443 C LEU A 29 -3.051 7.801 1.558 1.00 0.00 C ATOM 444 O LEU A 29 -3.801 8.338 2.374 1.00 0.00 O ATOM 445 CB LEU A 29 -3.341 8.083 -0.912 1.00 0.00 C ATOM 446 CG LEU A 29 -3.734 9.189 -1.893 1.00 0.00 C ATOM 447 CD1 LEU A 29 -4.767 10.112 -1.266 1.00 0.00 C ATOM 448 CD2 LEU A 29 -2.506 9.976 -2.328 1.00 0.00 C ATOM 0 H LEU A 29 -0.889 7.985 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.774 9.621 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.730 7.350 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.245 7.569 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.176 8.728 -2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.036 10.893 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.656 9.538 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.351 10.567 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.804 10.759 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.035 10.428 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.798 9.306 -2.815 1.00 0.00 H new ATOM 460 N GLU A 30 -2.619 6.550 1.691 1.00 0.00 N ATOM 461 CA GLU A 30 -3.015 5.723 2.828 1.00 0.00 C ATOM 462 C GLU A 30 -2.369 6.197 4.129 1.00 0.00 C ATOM 463 O GLU A 30 -2.803 5.813 5.214 1.00 0.00 O ATOM 464 CB GLU A 30 -2.662 4.259 2.574 1.00 0.00 C ATOM 465 CG GLU A 30 -3.752 3.501 1.834 1.00 0.00 C ATOM 466 CD GLU A 30 -5.074 3.514 2.577 1.00 0.00 C ATOM 467 OE1 GLU A 30 -5.868 4.453 2.358 1.00 0.00 O ATOM 468 OE2 GLU A 30 -5.315 2.588 3.379 1.00 0.00 O ATOM 0 H GLU A 30 -1.997 6.087 1.028 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.095 5.819 2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.738 4.209 1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.470 3.767 3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.890 3.941 0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.434 2.469 1.682 1.00 0.00 H new ATOM 475 N GLY A 31 -1.346 7.042 4.024 1.00 0.00 N ATOM 476 CA GLY A 31 -0.688 7.551 5.215 1.00 0.00 C ATOM 477 C GLY A 31 0.537 6.750 5.619 1.00 0.00 C ATOM 478 O GLY A 31 0.915 6.741 6.791 1.00 0.00 O ATOM 0 H GLY A 31 -0.963 7.381 3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.395 8.587 5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.399 7.553 6.041 1.00 0.00 H new ATOM 482 N TRP A 32 1.170 6.087 4.655 1.00 0.00 N ATOM 483 CA TRP A 32 2.365 5.296 4.937 1.00 0.00 C ATOM 484 C TRP A 32 3.560 6.214 5.168 1.00 0.00 C ATOM 485 O TRP A 32 4.114 6.270 6.266 1.00 0.00 O ATOM 486 CB TRP A 32 2.674 4.340 3.779 1.00 0.00 C ATOM 487 CG TRP A 32 1.612 3.309 3.553 1.00 0.00 C ATOM 488 CD1 TRP A 32 0.264 3.501 3.626 1.00 0.00 C ATOM 489 CD2 TRP A 32 1.804 1.926 3.208 1.00 0.00 C ATOM 490 NE1 TRP A 32 -0.394 2.332 3.347 1.00 0.00 N ATOM 491 CE2 TRP A 32 0.525 1.352 3.090 1.00 0.00 C ATOM 492 CE3 TRP A 32 2.926 1.113 2.985 1.00 0.00 C ATOM 493 CZ2 TRP A 32 0.336 0.016 2.766 1.00 0.00 C ATOM 494 CZ3 TRP A 32 2.728 -0.217 2.660 1.00 0.00 C ATOM 495 CH2 TRP A 32 1.442 -0.750 2.552 1.00 0.00 C ATOM 0 H TRP A 32 0.878 6.081 3.678 1.00 0.00 H new ATOM 0 HA TRP A 32 2.176 4.709 5.836 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.806 4.920 2.866 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.621 3.837 3.977 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.215 4.438 3.868 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.407 2.212 3.333 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.924 1.518 3.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.656 -0.403 2.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.583 -0.854 2.487 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.322 -1.792 2.293 1.00 0.00 H new ATOM 506 N SER A 33 3.945 6.935 4.121 1.00 0.00 N ATOM 507 CA SER A 33 5.069 7.858 4.195 1.00 0.00 C ATOM 508 C SER A 33 4.579 9.302 4.217 1.00 0.00 C ATOM 509 O SER A 33 3.655 9.665 3.489 1.00 0.00 O ATOM 510 CB SER A 33 6.002 7.640 3.003 1.00 0.00 C ATOM 511 OG SER A 33 7.306 8.132 3.269 1.00 0.00 O ATOM 0 H SER A 33 3.492 6.897 3.208 1.00 0.00 H new ATOM 0 HA SER A 33 5.616 7.665 5.118 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.053 6.577 2.769 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.595 8.140 2.124 1.00 0.00 H new ATOM 0 HG SER A 33 7.879 7.977 2.490 1.00 0.00 H new ATOM 517 N GLU A 34 5.202 10.122 5.058 1.00 0.00 N ATOM 518 CA GLU A 34 4.822 11.527 5.172 1.00 0.00 C ATOM 519 C GLU A 34 5.433 12.344 4.040 1.00 0.00 C ATOM 520 O GLU A 34 4.832 13.303 3.556 1.00 0.00 O ATOM 521 CB GLU A 34 5.277 12.083 6.521 1.00 0.00 C ATOM 522 CG GLU A 34 6.770 11.927 6.766 1.00 0.00 C ATOM 523 CD GLU A 34 7.081 11.353 8.134 1.00 0.00 C ATOM 524 OE1 GLU A 34 6.507 11.845 9.129 1.00 0.00 O ATOM 525 OE2 GLU A 34 7.898 10.411 8.210 1.00 0.00 O ATOM 0 H GLU A 34 5.969 9.840 5.668 1.00 0.00 H new ATOM 0 HA GLU A 34 3.737 11.598 5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.016 13.140 6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.731 11.577 7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.194 11.279 5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.254 12.898 6.665 1.00 0.00 H new ATOM 532 N SER A 35 6.629 11.950 3.617 1.00 0.00 N ATOM 533 CA SER A 35 7.324 12.636 2.536 1.00 0.00 C ATOM 534 C SER A 35 7.268 11.810 1.255 1.00 0.00 C ATOM 535 O SER A 35 7.204 12.355 0.154 1.00 0.00 O ATOM 536 CB SER A 35 8.778 12.904 2.925 1.00 0.00 C ATOM 537 OG SER A 35 9.081 12.336 4.187 1.00 0.00 O ATOM 0 H SER A 35 7.138 11.157 4.008 1.00 0.00 H new ATOM 0 HA SER A 35 6.826 13.589 2.358 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.443 12.490 2.167 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.958 13.979 2.954 1.00 0.00 H new ATOM 0 HG SER A 35 9.364 13.043 4.804 1.00 0.00 H new ATOM 543 N GLY A 36 7.293 10.491 1.415 1.00 0.00 N ATOM 544 CA GLY A 36 7.244 9.602 0.271 1.00 0.00 C ATOM 545 C GLY A 36 8.620 9.137 -0.172 1.00 0.00 C ATOM 546 O GLY A 36 8.746 8.124 -0.859 1.00 0.00 O ATOM 0 H GLY A 36 7.346 10.022 2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.634 8.733 0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.753 10.111 -0.558 1.00 0.00 H new ATOM 550 N ALA A 37 9.653 9.882 0.219 1.00 0.00 N ATOM 551 CA ALA A 37 11.025 9.539 -0.147 1.00 0.00 C ATOM 552 C ALA A 37 11.973 9.606 1.054 1.00 0.00 C ATOM 553 O ALA A 37 13.134 9.209 0.956 1.00 0.00 O ATOM 554 CB ALA A 37 11.517 10.457 -1.256 1.00 0.00 C ATOM 0 H ALA A 37 9.566 10.724 0.787 1.00 0.00 H new ATOM 0 HA ALA A 37 11.021 8.509 -0.504 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.541 10.192 -1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.876 10.347 -2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.487 11.491 -0.912 1.00 0.00 H new ATOM 560 N GLN A 38 11.480 10.114 2.184 1.00 0.00 N ATOM 561 CA GLN A 38 12.291 10.232 3.393 1.00 0.00 C ATOM 562 C GLN A 38 12.886 8.884 3.795 1.00 0.00 C ATOM 563 O GLN A 38 14.076 8.637 3.596 1.00 0.00 O ATOM 564 CB GLN A 38 11.445 10.797 4.538 1.00 0.00 C ATOM 565 CG GLN A 38 12.167 10.842 5.874 1.00 0.00 C ATOM 566 CD GLN A 38 13.268 11.885 5.904 1.00 0.00 C ATOM 567 OE1 GLN A 38 13.031 13.062 5.630 1.00 0.00 O ATOM 568 NE2 GLN A 38 14.481 11.458 6.235 1.00 0.00 N ATOM 0 H GLN A 38 10.522 10.450 2.286 1.00 0.00 H new ATOM 0 HA GLN A 38 13.115 10.914 3.183 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.124 11.805 4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.544 10.193 4.643 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.448 11.055 6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.594 9.862 6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.633 10.474 6.455 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.261 12.114 6.270 1.00 0.00 H new ATOM 577 N ALA A 39 12.057 8.020 4.372 1.00 0.00 N ATOM 578 CA ALA A 39 12.505 6.702 4.815 1.00 0.00 C ATOM 579 C ALA A 39 12.536 5.689 3.673 1.00 0.00 C ATOM 580 O ALA A 39 12.616 4.483 3.913 1.00 0.00 O ATOM 581 CB ALA A 39 11.605 6.197 5.929 1.00 0.00 C ATOM 0 H ALA A 39 11.069 8.208 4.544 1.00 0.00 H new ATOM 0 HA ALA A 39 13.525 6.811 5.184 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.945 5.214 6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.642 6.890 6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.580 6.124 5.564 1.00 0.00 H new ATOM 587 N LYS A 40 12.469 6.169 2.436 1.00 0.00 N ATOM 588 CA LYS A 40 12.487 5.283 1.281 1.00 0.00 C ATOM 589 C LYS A 40 11.310 4.315 1.334 1.00 0.00 C ATOM 590 O LYS A 40 11.388 3.193 0.834 1.00 0.00 O ATOM 591 CB LYS A 40 13.804 4.511 1.228 1.00 0.00 C ATOM 592 CG LYS A 40 15.024 5.411 1.111 1.00 0.00 C ATOM 593 CD LYS A 40 15.893 5.342 2.356 1.00 0.00 C ATOM 594 CE LYS A 40 16.936 4.240 2.247 1.00 0.00 C ATOM 595 NZ LYS A 40 16.985 3.398 3.473 1.00 0.00 N ATOM 0 H LYS A 40 12.402 7.161 2.209 1.00 0.00 H new ATOM 0 HA LYS A 40 12.398 5.888 0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.896 3.901 2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.783 3.827 0.379 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.611 5.118 0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.703 6.440 0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 40 16.389 6.300 2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.266 5.166 3.230 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.712 3.612 1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.916 4.684 2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 17.708 2.659 3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 17.224 3.992 4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.057 2.954 3.626 1.00 0.00 H new ATOM 609 N ILE A 41 10.221 4.765 1.946 1.00 0.00 N ATOM 610 CA ILE A 41 9.018 3.953 2.074 1.00 0.00 C ATOM 611 C ILE A 41 8.465 3.575 0.702 1.00 0.00 C ATOM 612 O ILE A 41 7.755 2.579 0.558 1.00 0.00 O ATOM 613 CB ILE A 41 7.928 4.700 2.872 1.00 0.00 C ATOM 614 CG1 ILE A 41 8.479 5.147 4.231 1.00 0.00 C ATOM 615 CG2 ILE A 41 6.692 3.825 3.052 1.00 0.00 C ATOM 616 CD1 ILE A 41 7.428 5.721 5.158 1.00 0.00 C ATOM 0 H ILE A 41 10.147 5.693 2.363 1.00 0.00 H new ATOM 0 HA ILE A 41 9.295 3.046 2.611 1.00 0.00 H new ATOM 0 HB ILE A 41 7.633 5.585 2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.953 4.295 4.718 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.255 5.895 4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.938 4.373 3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.290 3.558 2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.964 2.919 3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.894 6.014 6.099 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.970 6.593 4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.663 4.969 5.351 1.00 0.00 H new ATOM 628 N ALA A 42 8.796 4.378 -0.302 1.00 0.00 N ATOM 629 CA ALA A 42 8.332 4.129 -1.662 1.00 0.00 C ATOM 630 C ALA A 42 8.999 2.891 -2.256 1.00 0.00 C ATOM 631 O ALA A 42 8.400 1.814 -2.308 1.00 0.00 O ATOM 632 CB ALA A 42 8.585 5.349 -2.538 1.00 0.00 C ATOM 0 H ALA A 42 9.383 5.206 -0.201 1.00 0.00 H new ATOM 0 HA ALA A 42 7.259 3.942 -1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.234 5.149 -3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.049 6.207 -2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.653 5.566 -2.561 1.00 0.00 H new ATOM 638 N ILE A 43 10.241 3.050 -2.703 1.00 0.00 N ATOM 639 CA ILE A 43 10.992 1.947 -3.293 1.00 0.00 C ATOM 640 C ILE A 43 10.984 0.729 -2.375 1.00 0.00 C ATOM 641 O ILE A 43 10.838 -0.408 -2.831 1.00 0.00 O ATOM 642 CB ILE A 43 12.448 2.357 -3.588 1.00 0.00 C ATOM 643 CG1 ILE A 43 12.475 3.589 -4.493 1.00 0.00 C ATOM 644 CG2 ILE A 43 13.207 1.206 -4.233 1.00 0.00 C ATOM 645 CD1 ILE A 43 11.794 3.370 -5.827 1.00 0.00 C ATOM 0 H ILE A 43 10.749 3.934 -2.668 1.00 0.00 H new ATOM 0 HA ILE A 43 10.502 1.689 -4.232 1.00 0.00 H new ATOM 0 HB ILE A 43 12.938 2.604 -2.646 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.991 4.419 -3.978 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.511 3.881 -4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.233 1.514 -4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.211 0.350 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.721 0.929 -5.169 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.850 4.284 -6.419 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.292 2.561 -6.361 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.749 3.107 -5.663 1.00 0.00 H new ATOM 657 N ALA A 44 11.131 0.976 -1.077 1.00 0.00 N ATOM 658 CA ALA A 44 11.131 -0.099 -0.095 1.00 0.00 C ATOM 659 C ALA A 44 9.851 -0.920 -0.198 1.00 0.00 C ATOM 660 O ALA A 44 9.886 -2.080 -0.608 1.00 0.00 O ATOM 661 CB ALA A 44 11.297 0.463 1.308 1.00 0.00 C ATOM 0 H ALA A 44 11.251 1.909 -0.683 1.00 0.00 H new ATOM 0 HA ALA A 44 11.975 -0.757 -0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.295 -0.354 2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.241 1.003 1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.474 1.143 1.527 1.00 0.00 H new ATOM 667 N GLU A 45 8.720 -0.309 0.176 1.00 0.00 N ATOM 668 CA GLU A 45 7.421 -0.984 0.122 1.00 0.00 C ATOM 669 C GLU A 45 7.339 -1.912 -1.082 1.00 0.00 C ATOM 670 O GLU A 45 6.897 -3.056 -0.970 1.00 0.00 O ATOM 671 CB GLU A 45 6.280 0.030 0.059 1.00 0.00 C ATOM 672 CG GLU A 45 4.906 -0.617 -0.015 1.00 0.00 C ATOM 673 CD GLU A 45 4.391 -0.736 -1.436 1.00 0.00 C ATOM 674 OE1 GLU A 45 4.204 0.310 -2.089 1.00 0.00 O ATOM 675 OE2 GLU A 45 4.174 -1.878 -1.895 1.00 0.00 O ATOM 0 H GLU A 45 8.680 0.651 0.519 1.00 0.00 H new ATOM 0 HA GLU A 45 7.322 -1.574 1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.325 0.673 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.420 0.671 -0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.951 -1.609 0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.201 -0.031 0.575 1.00 0.00 H new ATOM 682 N GLY A 46 7.791 -1.420 -2.232 1.00 0.00 N ATOM 683 CA GLY A 46 7.780 -2.238 -3.427 1.00 0.00 C ATOM 684 C GLY A 46 8.506 -3.547 -3.193 1.00 0.00 C ATOM 685 O GLY A 46 7.878 -4.593 -3.027 1.00 0.00 O ATOM 0 H GLY A 46 8.161 -0.478 -2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.751 -2.437 -3.727 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.252 -1.697 -4.247 1.00 0.00 H new ATOM 689 N GLN A 47 9.834 -3.480 -3.183 1.00 0.00 N ATOM 690 CA GLN A 47 10.678 -4.660 -2.970 1.00 0.00 C ATOM 691 C GLN A 47 10.226 -5.513 -1.776 1.00 0.00 C ATOM 692 O GLN A 47 10.702 -6.635 -1.604 1.00 0.00 O ATOM 693 CB GLN A 47 12.133 -4.233 -2.764 1.00 0.00 C ATOM 694 CG GLN A 47 12.306 -3.140 -1.720 1.00 0.00 C ATOM 695 CD GLN A 47 13.727 -2.619 -1.655 1.00 0.00 C ATOM 696 OE1 GLN A 47 14.082 -1.663 -2.345 1.00 0.00 O ATOM 697 NE2 GLN A 47 14.553 -3.248 -0.827 1.00 0.00 N ATOM 0 H GLN A 47 10.356 -2.615 -3.321 1.00 0.00 H new ATOM 0 HA GLN A 47 10.584 -5.276 -3.864 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.719 -5.103 -2.468 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.538 -3.884 -3.714 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.630 -2.315 -1.947 1.00 0.00 H new ATOM 0 HG3 GLN A 47 12.019 -3.527 -0.742 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.218 -4.036 -0.273 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.523 -2.943 -0.745 1.00 0.00 H new ATOM 706 N VAL A 48 9.325 -4.987 -0.949 1.00 0.00 N ATOM 707 CA VAL A 48 8.855 -5.728 0.216 1.00 0.00 C ATOM 708 C VAL A 48 7.882 -6.841 -0.188 1.00 0.00 C ATOM 709 O VAL A 48 8.319 -7.960 -0.459 1.00 0.00 O ATOM 710 CB VAL A 48 8.209 -4.802 1.262 1.00 0.00 C ATOM 711 CG1 VAL A 48 7.820 -5.591 2.506 1.00 0.00 C ATOM 712 CG2 VAL A 48 9.164 -3.670 1.618 1.00 0.00 C ATOM 0 H VAL A 48 8.911 -4.062 -1.063 1.00 0.00 H new ATOM 0 HA VAL A 48 9.731 -6.187 0.674 1.00 0.00 H new ATOM 0 HB VAL A 48 7.302 -4.371 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.365 -4.920 3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.107 -6.370 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.709 -6.048 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.698 -3.020 2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.084 -4.086 2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.394 -3.093 0.722 1.00 0.00 H new ATOM 722 N LYS A 49 6.574 -6.565 -0.229 1.00 0.00 N ATOM 723 CA LYS A 49 5.619 -7.609 -0.607 1.00 0.00 C ATOM 724 C LYS A 49 4.256 -7.049 -1.018 1.00 0.00 C ATOM 725 O LYS A 49 3.599 -6.354 -0.245 1.00 0.00 O ATOM 726 CB LYS A 49 5.429 -8.590 0.556 1.00 0.00 C ATOM 727 CG LYS A 49 6.125 -9.928 0.359 1.00 0.00 C ATOM 728 CD LYS A 49 5.310 -10.858 -0.528 1.00 0.00 C ATOM 729 CE LYS A 49 5.562 -12.319 -0.187 1.00 0.00 C ATOM 730 NZ LYS A 49 6.449 -12.979 -1.186 1.00 0.00 N ATOM 0 H LYS A 49 6.163 -5.657 -0.012 1.00 0.00 H new ATOM 0 HA LYS A 49 6.040 -8.118 -1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.802 -8.129 1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.363 -8.765 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.106 -9.766 -0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.289 -10.400 1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.249 -10.635 -0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.562 -10.679 -1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.015 -12.388 0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.611 -12.850 -0.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.596 -13.973 -0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.005 -12.936 -2.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.366 -12.489 -1.213 1.00 0.00 H new ATOM 744 N VAL A 50 3.817 -7.400 -2.226 1.00 0.00 N ATOM 745 CA VAL A 50 2.511 -6.980 -2.718 1.00 0.00 C ATOM 746 C VAL A 50 1.645 -8.212 -2.951 1.00 0.00 C ATOM 747 O VAL A 50 2.162 -9.279 -3.276 1.00 0.00 O ATOM 748 CB VAL A 50 2.612 -6.179 -4.033 1.00 0.00 C ATOM 749 CG1 VAL A 50 1.241 -5.681 -4.467 1.00 0.00 C ATOM 750 CG2 VAL A 50 3.588 -5.023 -3.885 1.00 0.00 C ATOM 0 H VAL A 50 4.349 -7.974 -2.880 1.00 0.00 H new ATOM 0 HA VAL A 50 2.067 -6.329 -1.965 1.00 0.00 H new ATOM 0 HB VAL A 50 2.991 -6.844 -4.809 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.335 -5.119 -5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.578 -6.532 -4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.827 -5.035 -3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.644 -4.472 -4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.246 -4.357 -3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.575 -5.410 -3.632 1.00 0.00 H new ATOM 760 N ASP A 51 0.338 -8.075 -2.761 1.00 0.00 N ATOM 761 CA ASP A 51 -0.584 -9.199 -2.936 1.00 0.00 C ATOM 762 C ASP A 51 -0.271 -9.982 -4.211 1.00 0.00 C ATOM 763 O ASP A 51 -0.708 -9.615 -5.302 1.00 0.00 O ATOM 764 CB ASP A 51 -2.026 -8.691 -2.980 1.00 0.00 C ATOM 765 CG ASP A 51 -3.025 -9.731 -2.511 1.00 0.00 C ATOM 766 OD1 ASP A 51 -3.129 -9.942 -1.284 1.00 0.00 O ATOM 767 OD2 ASP A 51 -3.708 -10.329 -3.369 1.00 0.00 O ATOM 0 H ASP A 51 -0.110 -7.201 -2.486 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.460 -9.871 -2.086 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.113 -7.801 -2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.271 -8.391 -3.999 1.00 0.00 H new ATOM 772 N GLY A 52 0.492 -11.063 -4.062 1.00 0.00 N ATOM 773 CA GLY A 52 0.856 -11.880 -5.206 1.00 0.00 C ATOM 774 C GLY A 52 1.837 -11.185 -6.131 1.00 0.00 C ATOM 775 O GLY A 52 1.989 -11.575 -7.290 1.00 0.00 O ATOM 0 H GLY A 52 0.864 -11.387 -3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.293 -12.815 -4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.044 -12.138 -5.764 1.00 0.00 H new ATOM 779 N ALA A 53 2.500 -10.145 -5.627 1.00 0.00 N ATOM 780 CA ALA A 53 3.460 -9.396 -6.425 1.00 0.00 C ATOM 781 C ALA A 53 4.630 -8.879 -5.582 1.00 0.00 C ATOM 782 O ALA A 53 4.638 -7.729 -5.147 1.00 0.00 O ATOM 783 CB ALA A 53 2.760 -8.237 -7.125 1.00 0.00 C ATOM 0 H ALA A 53 2.388 -9.805 -4.672 1.00 0.00 H new ATOM 0 HA ALA A 53 3.874 -10.076 -7.170 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.484 -7.681 -7.720 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.976 -8.625 -7.776 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.318 -7.575 -6.380 1.00 0.00 H new ATOM 789 N VAL A 54 5.620 -9.732 -5.343 1.00 0.00 N ATOM 790 CA VAL A 54 6.782 -9.337 -4.551 1.00 0.00 C ATOM 791 C VAL A 54 7.848 -8.682 -5.435 1.00 0.00 C ATOM 792 O VAL A 54 8.980 -9.156 -5.519 1.00 0.00 O ATOM 793 CB VAL A 54 7.397 -10.546 -3.815 1.00 0.00 C ATOM 794 CG1 VAL A 54 7.904 -11.589 -4.802 1.00 0.00 C ATOM 795 CG2 VAL A 54 8.510 -10.093 -2.882 1.00 0.00 C ATOM 0 H VAL A 54 5.643 -10.694 -5.682 1.00 0.00 H new ATOM 0 HA VAL A 54 6.438 -8.615 -3.811 1.00 0.00 H new ATOM 0 HB VAL A 54 6.615 -11.011 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.332 -12.429 -4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.076 -11.940 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.668 -11.145 -5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.932 -10.959 -2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.290 -9.597 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.107 -9.398 -2.145 1.00 0.00 H new ATOM 805 N GLU A 55 7.475 -7.591 -6.100 1.00 0.00 N ATOM 806 CA GLU A 55 8.398 -6.883 -6.985 1.00 0.00 C ATOM 807 C GLU A 55 8.954 -5.622 -6.328 1.00 0.00 C ATOM 808 O GLU A 55 8.794 -5.414 -5.128 1.00 0.00 O ATOM 809 CB GLU A 55 7.693 -6.527 -8.294 1.00 0.00 C ATOM 810 CG GLU A 55 8.122 -7.394 -9.465 1.00 0.00 C ATOM 811 CD GLU A 55 9.324 -6.831 -10.196 1.00 0.00 C ATOM 812 OE1 GLU A 55 10.275 -6.384 -9.520 1.00 0.00 O ATOM 813 OE2 GLU A 55 9.314 -6.835 -11.445 1.00 0.00 O ATOM 0 H GLU A 55 6.544 -7.179 -6.044 1.00 0.00 H new ATOM 0 HA GLU A 55 9.238 -7.546 -7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.616 -6.623 -8.156 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.892 -5.482 -8.533 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.357 -8.395 -9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.291 -7.493 -10.163 1.00 0.00 H new ATOM 820 N THR A 56 9.615 -4.788 -7.131 1.00 0.00 N ATOM 821 CA THR A 56 10.203 -3.549 -6.631 1.00 0.00 C ATOM 822 C THR A 56 10.273 -2.479 -7.721 1.00 0.00 C ATOM 823 O THR A 56 11.291 -1.802 -7.865 1.00 0.00 O ATOM 824 CB THR A 56 11.609 -3.816 -6.086 1.00 0.00 C ATOM 825 OG1 THR A 56 12.148 -2.650 -5.483 1.00 0.00 O ATOM 826 CG2 THR A 56 12.587 -4.277 -7.148 1.00 0.00 C ATOM 0 H THR A 56 9.756 -4.949 -8.128 1.00 0.00 H new ATOM 0 HA THR A 56 9.561 -3.179 -5.831 1.00 0.00 H new ATOM 0 HB THR A 56 11.485 -4.616 -5.356 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.157 -1.919 -6.135 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.563 -4.448 -6.694 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.228 -5.204 -7.596 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.674 -3.511 -7.919 1.00 0.00 H new ATOM 834 N ARG A 57 9.200 -2.326 -8.491 1.00 0.00 N ATOM 835 CA ARG A 57 9.179 -1.333 -9.559 1.00 0.00 C ATOM 836 C ARG A 57 8.715 0.026 -9.043 1.00 0.00 C ATOM 837 O ARG A 57 8.165 0.132 -7.947 1.00 0.00 O ATOM 838 CB ARG A 57 8.277 -1.799 -10.704 1.00 0.00 C ATOM 839 CG ARG A 57 8.881 -2.921 -11.535 1.00 0.00 C ATOM 840 CD ARG A 57 9.494 -2.396 -12.823 1.00 0.00 C ATOM 841 NE ARG A 57 10.683 -3.153 -13.212 1.00 0.00 N ATOM 842 CZ ARG A 57 11.866 -3.045 -12.605 1.00 0.00 C ATOM 843 NH1 ARG A 57 12.027 -2.198 -11.598 1.00 0.00 N ATOM 844 NH2 ARG A 57 12.895 -3.779 -13.013 1.00 0.00 N ATOM 0 H ARG A 57 8.343 -2.870 -8.397 1.00 0.00 H new ATOM 0 HA ARG A 57 10.197 -1.223 -9.932 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.325 -2.135 -10.292 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.062 -0.951 -11.354 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.644 -3.436 -10.952 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.111 -3.655 -11.771 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.755 -2.445 -13.623 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.758 -1.346 -12.697 1.00 0.00 H new ATOM 0 HE ARG A 57 10.603 -3.803 -13.994 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.244 -1.625 -11.284 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.934 -2.120 -11.138 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.782 -4.427 -13.792 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.798 -3.694 -12.547 1.00 0.00 H new ATOM 858 N LYS A 58 8.948 1.063 -9.841 1.00 0.00 N ATOM 859 CA LYS A 58 8.561 2.420 -9.472 1.00 0.00 C ATOM 860 C LYS A 58 7.056 2.613 -9.621 1.00 0.00 C ATOM 861 O LYS A 58 6.418 3.262 -8.793 1.00 0.00 O ATOM 862 CB LYS A 58 9.303 3.434 -10.346 1.00 0.00 C ATOM 863 CG LYS A 58 9.686 4.710 -9.615 1.00 0.00 C ATOM 864 CD LYS A 58 8.768 5.866 -9.983 1.00 0.00 C ATOM 865 CE LYS A 58 9.451 6.846 -10.927 1.00 0.00 C ATOM 866 NZ LYS A 58 9.947 8.054 -10.210 1.00 0.00 N ATOM 0 H LYS A 58 9.404 0.989 -10.750 1.00 0.00 H new ATOM 0 HA LYS A 58 8.830 2.580 -8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.206 2.968 -10.741 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.677 3.690 -11.201 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.644 4.540 -8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.716 4.972 -9.856 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.864 5.478 -10.452 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.458 6.388 -9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.285 6.350 -11.423 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.751 7.148 -11.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.405 8.696 -10.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.148 8.542 -9.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.635 7.769 -9.484 1.00 0.00 H new ATOM 880 N ARG A 59 6.499 2.049 -10.685 1.00 0.00 N ATOM 881 CA ARG A 59 5.071 2.160 -10.948 1.00 0.00 C ATOM 882 C ARG A 59 4.383 0.814 -10.786 1.00 0.00 C ATOM 883 O ARG A 59 4.866 -0.205 -11.280 1.00 0.00 O ATOM 884 CB ARG A 59 4.832 2.705 -12.357 1.00 0.00 C ATOM 885 CG ARG A 59 5.361 4.115 -12.559 1.00 0.00 C ATOM 886 CD ARG A 59 6.614 4.128 -13.421 1.00 0.00 C ATOM 887 NE ARG A 59 7.198 5.464 -13.507 1.00 0.00 N ATOM 888 CZ ARG A 59 7.537 6.063 -14.648 1.00 0.00 C ATOM 889 NH1 ARG A 59 7.371 5.450 -15.813 1.00 0.00 N ATOM 890 NH2 ARG A 59 8.049 7.284 -14.621 1.00 0.00 N ATOM 0 H ARG A 59 7.015 1.510 -11.380 1.00 0.00 H new ATOM 0 HA ARG A 59 4.645 2.853 -10.222 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.305 2.041 -13.080 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.762 2.693 -12.566 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.591 4.729 -13.027 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.581 4.563 -11.590 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.348 3.436 -13.007 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.370 3.772 -14.422 1.00 0.00 H new ATOM 0 HE ARG A 59 7.357 5.972 -12.637 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.980 4.509 -15.843 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.635 5.920 -16.679 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.182 7.762 -13.730 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.310 7.747 -15.492 1.00 0.00 H new ATOM 904 N CYS A 60 3.249 0.814 -10.096 1.00 0.00 N ATOM 905 CA CYS A 60 2.499 -0.412 -9.879 1.00 0.00 C ATOM 906 C CYS A 60 1.234 -0.416 -10.726 1.00 0.00 C ATOM 907 O CYS A 60 0.336 0.398 -10.525 1.00 0.00 O ATOM 908 CB CYS A 60 2.143 -0.560 -8.396 1.00 0.00 C ATOM 909 SG CYS A 60 2.562 -2.173 -7.693 1.00 0.00 S ATOM 0 H CYS A 60 2.832 1.646 -9.680 1.00 0.00 H new ATOM 0 HA CYS A 60 3.120 -1.257 -10.177 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.659 0.216 -7.830 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.074 -0.388 -8.271 1.00 0.00 H new ATOM 0 HG CYS A 60 2.226 -2.200 -6.438 1.00 0.00 H new ATOM 915 N LYS A 61 1.164 -1.343 -11.669 1.00 0.00 N ATOM 916 CA LYS A 61 0.003 -1.449 -12.534 1.00 0.00 C ATOM 917 C LYS A 61 -0.993 -2.436 -11.940 1.00 0.00 C ATOM 918 O LYS A 61 -1.101 -3.578 -12.387 1.00 0.00 O ATOM 919 CB LYS A 61 0.419 -1.879 -13.941 1.00 0.00 C ATOM 920 CG LYS A 61 0.922 -0.732 -14.804 1.00 0.00 C ATOM 921 CD LYS A 61 2.434 -0.769 -14.961 1.00 0.00 C ATOM 922 CE LYS A 61 2.878 -0.089 -16.246 1.00 0.00 C ATOM 923 NZ LYS A 61 2.535 -0.896 -17.449 1.00 0.00 N ATOM 0 H LYS A 61 1.895 -2.030 -11.853 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.474 -0.472 -12.609 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.200 -2.635 -13.865 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.432 -2.348 -14.435 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.453 -0.782 -15.786 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.625 0.217 -14.357 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.901 -0.277 -14.108 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.776 -1.804 -14.959 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.406 0.891 -16.320 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.955 0.077 -16.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.115 -0.583 -18.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.722 -1.901 -17.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.528 -0.768 -17.677 1.00 0.00 H new ATOM 937 N ILE A 62 -1.709 -1.983 -10.918 1.00 0.00 N ATOM 938 CA ILE A 62 -2.692 -2.812 -10.240 1.00 0.00 C ATOM 939 C ILE A 62 -3.953 -2.021 -9.906 1.00 0.00 C ATOM 940 O ILE A 62 -3.911 -0.804 -9.735 1.00 0.00 O ATOM 941 CB ILE A 62 -2.118 -3.399 -8.935 1.00 0.00 C ATOM 942 CG1 ILE A 62 -0.786 -4.103 -9.200 1.00 0.00 C ATOM 943 CG2 ILE A 62 -3.111 -4.361 -8.303 1.00 0.00 C ATOM 944 CD1 ILE A 62 -0.014 -4.421 -7.938 1.00 0.00 C ATOM 0 H ILE A 62 -1.625 -1.039 -10.540 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.946 -3.621 -10.925 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.940 -2.579 -8.240 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.974 -5.028 -9.745 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.172 -3.473 -9.844 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.690 -4.766 -7.383 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.036 -3.832 -8.076 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.320 -5.176 -8.996 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.920 -4.919 -8.199 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.205 -3.497 -7.403 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.610 -5.076 -7.302 1.00 0.00 H new ATOM 956 N VAL A 63 -5.071 -2.729 -9.810 1.00 0.00 N ATOM 957 CA VAL A 63 -6.351 -2.110 -9.490 1.00 0.00 C ATOM 958 C VAL A 63 -7.298 -3.127 -8.856 1.00 0.00 C ATOM 959 O VAL A 63 -6.980 -4.314 -8.778 1.00 0.00 O ATOM 960 CB VAL A 63 -7.031 -1.528 -10.745 1.00 0.00 C ATOM 961 CG1 VAL A 63 -6.370 -0.229 -11.168 1.00 0.00 C ATOM 962 CG2 VAL A 63 -7.011 -2.537 -11.883 1.00 0.00 C ATOM 0 H VAL A 63 -5.117 -3.738 -9.950 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.144 -1.302 -8.789 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.070 -1.312 -10.497 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.868 0.161 -12.056 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.447 0.498 -10.360 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.319 -0.412 -11.393 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.496 -2.107 -12.759 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.979 -2.790 -12.127 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.544 -3.438 -11.580 1.00 0.00 H new ATOM 972 N ALA A 64 -8.473 -2.664 -8.429 1.00 0.00 N ATOM 973 CA ALA A 64 -9.481 -3.543 -7.831 1.00 0.00 C ATOM 974 C ALA A 64 -9.165 -3.892 -6.372 1.00 0.00 C ATOM 975 O ALA A 64 -8.555 -3.102 -5.651 1.00 0.00 O ATOM 976 CB ALA A 64 -9.638 -4.807 -8.672 1.00 0.00 C ATOM 0 H ALA A 64 -8.751 -1.684 -8.486 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.425 -2.999 -7.822 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.389 -5.454 -8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.952 -4.537 -9.680 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.685 -5.334 -8.718 1.00 0.00 H new ATOM 982 N GLY A 65 -9.605 -5.078 -5.941 1.00 0.00 N ATOM 983 CA GLY A 65 -9.388 -5.516 -4.576 1.00 0.00 C ATOM 984 C GLY A 65 -8.038 -6.171 -4.374 1.00 0.00 C ATOM 985 O GLY A 65 -7.940 -7.396 -4.306 1.00 0.00 O ATOM 0 H GLY A 65 -10.112 -5.745 -6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.474 -4.660 -3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.173 -6.219 -4.296 1.00 0.00 H new ATOM 989 N GLN A 66 -6.996 -5.355 -4.288 1.00 0.00 N ATOM 990 CA GLN A 66 -5.638 -5.867 -4.105 1.00 0.00 C ATOM 991 C GLN A 66 -4.991 -5.300 -2.840 1.00 0.00 C ATOM 992 O GLN A 66 -5.411 -4.266 -2.325 1.00 0.00 O ATOM 993 CB GLN A 66 -4.787 -5.543 -5.331 1.00 0.00 C ATOM 994 CG GLN A 66 -5.076 -6.451 -6.514 1.00 0.00 C ATOM 995 CD GLN A 66 -4.667 -7.887 -6.256 1.00 0.00 C ATOM 996 OE1 GLN A 66 -5.513 -8.764 -6.078 1.00 0.00 O ATOM 997 NE2 GLN A 66 -3.364 -8.134 -6.230 1.00 0.00 N ATOM 0 H GLN A 66 -7.061 -4.338 -4.341 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.698 -6.949 -3.988 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.962 -4.508 -5.624 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.733 -5.626 -5.066 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.141 -6.415 -6.744 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.548 -6.078 -7.392 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.698 -7.377 -6.383 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.028 -9.081 -6.057 1.00 0.00 H new ATOM 1006 N THR A 67 -3.986 -6.012 -2.329 1.00 0.00 N ATOM 1007 CA THR A 67 -3.300 -5.610 -1.099 1.00 0.00 C ATOM 1008 C THR A 67 -1.813 -5.326 -1.319 1.00 0.00 C ATOM 1009 O THR A 67 -1.201 -5.827 -2.260 1.00 0.00 O ATOM 1010 CB THR A 67 -3.460 -6.716 -0.054 1.00 0.00 C ATOM 1011 OG1 THR A 67 -4.821 -7.080 0.084 1.00 0.00 O ATOM 1012 CG2 THR A 67 -2.949 -6.341 1.319 1.00 0.00 C ATOM 0 H THR A 67 -3.628 -6.871 -2.748 1.00 0.00 H new ATOM 0 HA THR A 67 -3.756 -4.682 -0.755 1.00 0.00 H new ATOM 0 HB THR A 67 -2.858 -7.544 -0.428 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.903 -7.789 0.755 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.098 -7.176 2.003 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.886 -6.105 1.260 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.494 -5.471 1.685 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.242 -4.520 -0.421 1.00 0.00 N ATOM 1021 CA VAL A 68 0.177 -4.164 -0.477 1.00 0.00 C ATOM 1022 C VAL A 68 0.785 -4.216 0.933 1.00 0.00 C ATOM 1023 O VAL A 68 0.083 -3.985 1.917 1.00 0.00 O ATOM 1024 CB VAL A 68 0.373 -2.764 -1.129 1.00 0.00 C ATOM 1025 CG1 VAL A 68 1.198 -1.819 -0.263 1.00 0.00 C ATOM 1026 CG2 VAL A 68 1.007 -2.909 -2.503 1.00 0.00 C ATOM 0 H VAL A 68 -1.746 -4.099 0.359 1.00 0.00 H new ATOM 0 HA VAL A 68 0.698 -4.889 -1.103 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.617 -2.318 -1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.301 -0.859 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.698 -1.673 0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.186 -2.249 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.139 -1.923 -2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.977 -3.396 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.360 -3.512 -3.140 1.00 0.00 H new ATOM 1036 N SER A 69 2.079 -4.542 1.039 1.00 0.00 N ATOM 1037 CA SER A 69 2.722 -4.640 2.354 1.00 0.00 C ATOM 1038 C SER A 69 4.149 -4.081 2.378 1.00 0.00 C ATOM 1039 O SER A 69 4.949 -4.327 1.468 1.00 0.00 O ATOM 1040 CB SER A 69 2.743 -6.099 2.817 1.00 0.00 C ATOM 1041 OG SER A 69 3.742 -6.837 2.138 1.00 0.00 O ATOM 0 H SER A 69 2.691 -4.739 0.247 1.00 0.00 H new ATOM 0 HA SER A 69 2.128 -4.028 3.033 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.924 -6.140 3.891 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.768 -6.553 2.640 1.00 0.00 H new ATOM 0 HG SER A 69 3.990 -6.370 1.313 1.00 0.00 H new ATOM 1047 N PHE A 70 4.462 -3.349 3.458 1.00 0.00 N ATOM 1048 CA PHE A 70 5.793 -2.763 3.654 1.00 0.00 C ATOM 1049 C PHE A 70 6.241 -2.914 5.107 1.00 0.00 C ATOM 1050 O PHE A 70 5.645 -2.330 6.011 1.00 0.00 O ATOM 1051 CB PHE A 70 5.802 -1.277 3.281 1.00 0.00 C ATOM 1052 CG PHE A 70 7.094 -0.571 3.607 1.00 0.00 C ATOM 1053 CD1 PHE A 70 8.286 -1.274 3.696 1.00 0.00 C ATOM 1054 CD2 PHE A 70 7.111 0.796 3.831 1.00 0.00 C ATOM 1055 CE1 PHE A 70 9.468 -0.627 4.001 1.00 0.00 C ATOM 1056 CE2 PHE A 70 8.292 1.448 4.137 1.00 0.00 C ATOM 1057 CZ PHE A 70 9.472 0.736 4.221 1.00 0.00 C ATOM 0 H PHE A 70 3.805 -3.149 4.212 1.00 0.00 H new ATOM 0 HA PHE A 70 6.483 -3.299 3.002 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.606 -1.180 2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.985 -0.777 3.802 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.290 -2.340 3.525 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.192 1.359 3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.389 -1.187 4.067 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.291 2.514 4.310 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.395 1.244 4.458 1.00 0.00 H new ATOM 1067 N ALA A 71 7.308 -3.680 5.319 1.00 0.00 N ATOM 1068 CA ALA A 71 7.862 -3.899 6.656 1.00 0.00 C ATOM 1069 C ALA A 71 6.778 -4.033 7.727 1.00 0.00 C ATOM 1070 O ALA A 71 6.991 -3.660 8.882 1.00 0.00 O ATOM 1071 CB ALA A 71 8.820 -2.772 7.015 1.00 0.00 C ATOM 0 H ALA A 71 7.811 -4.164 4.576 1.00 0.00 H new ATOM 0 HA ALA A 71 8.402 -4.846 6.629 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.227 -2.944 8.011 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.634 -2.742 6.291 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.286 -1.822 7.000 1.00 0.00 H new ATOM 1077 N GLY A 72 5.623 -4.573 7.349 1.00 0.00 N ATOM 1078 CA GLY A 72 4.547 -4.747 8.307 1.00 0.00 C ATOM 1079 C GLY A 72 3.307 -3.943 7.979 1.00 0.00 C ATOM 1080 O GLY A 72 2.276 -4.098 8.635 1.00 0.00 O ATOM 0 H GLY A 72 5.414 -4.891 6.403 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.283 -5.803 8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.903 -4.462 9.297 1.00 0.00 H new ATOM 1084 N HIS A 73 3.392 -3.077 6.979 1.00 0.00 N ATOM 1085 CA HIS A 73 2.252 -2.255 6.605 1.00 0.00 C ATOM 1086 C HIS A 73 1.373 -2.975 5.590 1.00 0.00 C ATOM 1087 O HIS A 73 1.501 -2.753 4.389 1.00 0.00 O ATOM 1088 CB HIS A 73 2.710 -0.920 6.009 1.00 0.00 C ATOM 1089 CG HIS A 73 3.876 -0.289 6.706 1.00 0.00 C ATOM 1090 ND1 HIS A 73 4.415 -0.774 7.879 1.00 0.00 N ATOM 1091 CD2 HIS A 73 4.611 0.801 6.378 1.00 0.00 C ATOM 1092 CE1 HIS A 73 5.429 -0.010 8.244 1.00 0.00 C ATOM 1093 NE2 HIS A 73 5.568 0.951 7.350 1.00 0.00 N ATOM 0 H HIS A 73 4.230 -2.927 6.417 1.00 0.00 H new ATOM 0 HA HIS A 73 1.677 -2.066 7.512 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.971 -1.076 4.962 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.872 -0.223 6.028 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.470 1.433 5.514 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.040 -0.148 9.124 1.00 0.00 H new ATOM 0 HE2 HIS A 73 6.274 1.687 7.377 1.00 0.00 H new ATOM 1101 N SER A 74 0.479 -3.829 6.074 1.00 0.00 N ATOM 1102 CA SER A 74 -0.417 -4.569 5.191 1.00 0.00 C ATOM 1103 C SER A 74 -1.734 -3.823 5.001 1.00 0.00 C ATOM 1104 O SER A 74 -2.533 -3.702 5.929 1.00 0.00 O ATOM 1105 CB SER A 74 -0.684 -5.968 5.746 1.00 0.00 C ATOM 1106 OG SER A 74 0.528 -6.634 6.055 1.00 0.00 O ATOM 0 H SER A 74 0.355 -4.026 7.067 1.00 0.00 H new ATOM 0 HA SER A 74 0.071 -4.662 4.221 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.301 -5.896 6.641 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.247 -6.551 5.017 1.00 0.00 H new ATOM 0 HG SER A 74 0.330 -7.526 6.410 1.00 0.00 H new ATOM 1112 N VAL A 75 -1.950 -3.328 3.788 1.00 0.00 N ATOM 1113 CA VAL A 75 -3.167 -2.593 3.463 1.00 0.00 C ATOM 1114 C VAL A 75 -3.776 -3.116 2.168 1.00 0.00 C ATOM 1115 O VAL A 75 -3.064 -3.609 1.292 1.00 0.00 O ATOM 1116 CB VAL A 75 -2.884 -1.085 3.312 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.150 -0.317 2.969 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -2.247 -0.532 4.577 1.00 0.00 C ATOM 0 H VAL A 75 -1.296 -3.423 3.011 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.868 -2.741 4.285 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.184 -0.957 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.917 0.743 2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.558 -0.689 2.029 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.885 -0.454 3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.055 0.534 4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.922 -0.682 5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.307 -1.050 4.768 1.00 0.00 H new ATOM 1128 N GLN A 76 -5.093 -3.006 2.049 1.00 0.00 N ATOM 1129 CA GLN A 76 -5.790 -3.471 0.860 1.00 0.00 C ATOM 1130 C GLN A 76 -6.361 -2.292 0.082 1.00 0.00 C ATOM 1131 O GLN A 76 -6.320 -1.153 0.547 1.00 0.00 O ATOM 1132 CB GLN A 76 -6.914 -4.434 1.242 1.00 0.00 C ATOM 1133 CG GLN A 76 -6.481 -5.542 2.187 1.00 0.00 C ATOM 1134 CD GLN A 76 -7.518 -6.643 2.305 1.00 0.00 C ATOM 1135 OE1 GLN A 76 -8.718 -6.396 2.182 1.00 0.00 O ATOM 1136 NE2 GLN A 76 -7.060 -7.867 2.544 1.00 0.00 N ATOM 0 H GLN A 76 -5.698 -2.599 2.762 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.074 -3.997 0.228 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.721 -3.868 1.707 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.320 -4.882 0.335 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.541 -5.968 1.836 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.290 -5.120 3.174 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.057 -8.027 2.639 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.711 -8.647 2.633 1.00 0.00 H new ATOM 1145 N VAL A 77 -6.869 -2.565 -1.114 1.00 0.00 N ATOM 1146 CA VAL A 77 -7.423 -1.520 -1.966 1.00 0.00 C ATOM 1147 C VAL A 77 -8.628 -2.028 -2.746 1.00 0.00 C ATOM 1148 O VAL A 77 -8.676 -3.193 -3.126 1.00 0.00 O ATOM 1149 CB VAL A 77 -6.370 -1.006 -2.970 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -6.770 0.356 -3.512 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -4.985 -0.954 -2.332 1.00 0.00 C ATOM 0 H VAL A 77 -6.909 -3.502 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.731 -0.706 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.326 -1.706 -3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.016 0.702 -4.218 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.732 0.278 -4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.850 1.066 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.262 -0.588 -3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.005 -0.283 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.697 -1.953 -2.005 1.00 0.00 H new ATOM 1161 N VAL A 78 -9.593 -1.146 -2.992 1.00 0.00 N ATOM 1162 CA VAL A 78 -10.791 -1.512 -3.742 1.00 0.00 C ATOM 1163 C VAL A 78 -11.151 -0.433 -4.758 1.00 0.00 C ATOM 1164 O VAL A 78 -10.580 0.656 -4.750 1.00 0.00 O ATOM 1165 CB VAL A 78 -12.000 -1.744 -2.815 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -11.827 -3.027 -2.018 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -12.210 -0.551 -1.894 1.00 0.00 C ATOM 0 H VAL A 78 -9.569 -0.174 -2.683 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.560 -2.443 -4.260 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.891 -1.850 -3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.691 -3.172 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.740 -3.871 -2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.925 -2.959 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.069 -0.736 -1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.321 -0.403 -1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.392 0.342 -2.491 1.00 0.00 H new ATOM 1177 N ALA A 79 -12.105 -0.745 -5.631 1.00 0.00 N ATOM 1178 CA ALA A 79 -12.543 0.200 -6.652 1.00 0.00 C ATOM 1179 C ALA A 79 -13.931 0.745 -6.335 1.00 0.00 C ATOM 1180 O ALA A 79 -14.020 1.718 -5.555 1.00 0.00 O ATOM 1181 CB ALA A 79 -12.531 -0.463 -8.023 1.00 0.00 C ATOM 1182 OXT ALA A 79 -14.919 0.197 -6.869 1.00 0.00 O ATOM 0 H ALA A 79 -12.588 -1.643 -5.651 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.847 1.039 -6.661 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.860 0.253 -8.776 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.520 -0.797 -8.257 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.204 -1.320 -8.019 1.00 0.00 H new