USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 575 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 6 THR OG1 : rot 129:sc= 0.821 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 21:sc= 0.285 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -157:sc= -9.1! (180deg=-11.4!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -137:sc= -0.788! (180deg=-3.17!) USER MOD Single : A 31 LYS NZ :NH3+ 151:sc= -0.168 (180deg=-0.924) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -4.1! C(o=-4.1!,f=-5.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 128:sc= -0.271 USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0476) USER MOD Single : A 56 SER OG : rot 180:sc= -0.427 USER MOD Single : A 64 TYR OH : rot 152:sc= 1.29 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.212 F(o=-1.7,f=-0.21) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ILE A 5 58.455 2.249 -4.594 1.00 0.00 N ATOM 61 CA ILE A 5 59.905 2.319 -4.420 1.00 0.00 C ATOM 62 C ILE A 5 60.497 1.126 -5.130 1.00 0.00 C ATOM 63 O ILE A 5 60.257 0.005 -4.718 1.00 0.00 O ATOM 64 CB ILE A 5 60.261 2.324 -2.906 1.00 0.00 C ATOM 65 CG1 ILE A 5 60.556 3.760 -2.476 1.00 0.00 C ATOM 66 CG2 ILE A 5 61.429 1.398 -2.524 1.00 0.00 C ATOM 67 CD1 ILE A 5 61.458 3.879 -1.259 1.00 0.00 C ATOM 0 HA ILE A 5 60.313 3.237 -4.842 1.00 0.00 H new ATOM 0 HB ILE A 5 59.397 1.924 -2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 5 61.020 4.288 -3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 5 59.613 4.264 -2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 5 61.609 1.463 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 5 61.180 0.370 -2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 5 62.326 1.703 -3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 5 61.615 4.932 -1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 5 60.989 3.383 -0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 5 62.418 3.408 -1.470 1.00 0.00 H new ATOM 79 N THR A 6 61.305 1.382 -6.171 1.00 0.00 N ATOM 80 CA THR A 6 61.988 0.253 -6.792 1.00 0.00 C ATOM 81 C THR A 6 63.246 -0.057 -5.966 1.00 0.00 C ATOM 82 O THR A 6 63.985 0.850 -5.594 1.00 0.00 O ATOM 83 CB THR A 6 62.275 0.596 -8.259 1.00 0.00 C ATOM 84 OG1 THR A 6 61.146 1.187 -8.844 1.00 0.00 O ATOM 85 CG2 THR A 6 62.638 -0.638 -9.104 1.00 0.00 C ATOM 0 H THR A 6 61.490 2.300 -6.575 1.00 0.00 H new ATOM 0 HA THR A 6 61.378 -0.650 -6.800 1.00 0.00 H new ATOM 0 HB THR A 6 63.127 1.276 -8.248 1.00 0.00 H new ATOM 0 HG1 THR A 6 61.406 2.023 -9.285 1.00 0.00 H new ATOM 0 HG21 THR A 6 62.830 -0.331 -10.132 1.00 0.00 H new ATOM 0 HG22 THR A 6 63.531 -1.110 -8.694 1.00 0.00 H new ATOM 0 HG23 THR A 6 61.811 -1.348 -9.086 1.00 0.00 H new ATOM 93 N LEU A 7 63.443 -1.364 -5.675 1.00 0.00 N ATOM 94 CA LEU A 7 64.634 -1.798 -4.925 1.00 0.00 C ATOM 95 C LEU A 7 65.267 -3.018 -5.587 1.00 0.00 C ATOM 96 O LEU A 7 64.651 -3.661 -6.434 1.00 0.00 O ATOM 97 CB LEU A 7 64.326 -2.164 -3.469 1.00 0.00 C ATOM 98 CG LEU A 7 63.515 -1.106 -2.713 1.00 0.00 C ATOM 99 CD1 LEU A 7 62.237 -1.679 -2.119 1.00 0.00 C ATOM 100 CD2 LEU A 7 64.334 -0.435 -1.628 1.00 0.00 C ATOM 0 H LEU A 7 62.808 -2.116 -5.942 1.00 0.00 H new ATOM 0 HA LEU A 7 65.315 -0.947 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 7 63.779 -3.106 -3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 7 65.265 -2.331 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 7 63.239 -0.354 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 7 61.696 -0.893 -1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 7 61.612 -2.078 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 7 62.487 -2.477 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 7 63.722 0.308 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 7 64.671 -1.184 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 7 65.199 0.054 -2.075 1.00 0.00 H new ATOM 112 N LYS A 8 66.510 -3.306 -5.137 1.00 0.00 N ATOM 113 CA LYS A 8 67.251 -4.456 -5.657 1.00 0.00 C ATOM 114 C LYS A 8 68.398 -4.793 -4.719 1.00 0.00 C ATOM 115 O LYS A 8 69.229 -3.946 -4.431 1.00 0.00 O ATOM 116 CB LYS A 8 67.817 -4.116 -7.042 1.00 0.00 C ATOM 117 CG LYS A 8 68.104 -5.321 -7.950 1.00 0.00 C ATOM 118 CD LYS A 8 68.022 -4.973 -9.450 1.00 0.00 C ATOM 119 CE LYS A 8 69.240 -5.379 -10.273 1.00 0.00 C ATOM 120 NZ LYS A 8 68.997 -6.640 -10.967 1.00 0.00 N ATOM 0 H LYS A 8 67.005 -2.764 -4.429 1.00 0.00 H new ATOM 0 HA LYS A 8 66.579 -5.311 -5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 8 67.113 -3.458 -7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 8 68.741 -3.554 -6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 8 69.097 -5.710 -7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 8 67.392 -6.116 -7.727 1.00 0.00 H new ATOM 0 HD2 LYS A 8 67.140 -5.455 -9.872 1.00 0.00 H new ATOM 0 HD3 LYS A 8 67.876 -3.897 -9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 8 69.472 -4.598 -10.997 1.00 0.00 H new ATOM 0 HE3 LYS A 8 70.108 -5.478 -9.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 69.838 -6.899 -11.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 68.798 -7.387 -10.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 68.182 -6.534 -11.604 1.00 0.00 H new ATOM 218 N THR A 14 65.128 -8.360 -6.931 1.00 0.00 N ATOM 219 CA THR A 14 64.579 -7.027 -7.178 1.00 0.00 C ATOM 220 C THR A 14 63.121 -6.995 -6.720 1.00 0.00 C ATOM 221 O THR A 14 62.311 -7.826 -7.129 1.00 0.00 O ATOM 222 CB THR A 14 64.675 -6.658 -8.672 1.00 0.00 C ATOM 223 OG1 THR A 14 65.771 -7.314 -9.256 1.00 0.00 O ATOM 224 CG2 THR A 14 64.812 -5.146 -8.889 1.00 0.00 C ATOM 0 HA THR A 14 65.159 -6.295 -6.616 1.00 0.00 H new ATOM 0 HB THR A 14 63.747 -6.979 -9.145 1.00 0.00 H new ATOM 0 HG1 THR A 14 66.023 -8.084 -8.705 1.00 0.00 H new ATOM 0 HG21 THR A 14 64.876 -4.936 -9.957 1.00 0.00 H new ATOM 0 HG22 THR A 14 63.943 -4.638 -8.471 1.00 0.00 H new ATOM 0 HG23 THR A 14 65.715 -4.788 -8.394 1.00 0.00 H new ATOM 232 N PHE A 15 62.837 -5.996 -5.866 1.00 0.00 N ATOM 233 CA PHE A 15 61.477 -5.846 -5.353 1.00 0.00 C ATOM 234 C PHE A 15 61.191 -4.383 -5.082 1.00 0.00 C ATOM 235 O PHE A 15 62.115 -3.595 -4.897 1.00 0.00 O ATOM 236 CB PHE A 15 61.328 -6.670 -4.078 1.00 0.00 C ATOM 237 CG PHE A 15 62.411 -6.438 -3.055 1.00 0.00 C ATOM 238 CD1 PHE A 15 62.505 -5.230 -2.366 1.00 0.00 C ATOM 239 CD2 PHE A 15 63.321 -7.442 -2.756 1.00 0.00 C ATOM 240 CE1 PHE A 15 63.490 -5.032 -1.410 1.00 0.00 C ATOM 241 CE2 PHE A 15 64.288 -7.248 -1.787 1.00 0.00 C ATOM 242 CZ PHE A 15 64.359 -6.056 -1.099 1.00 0.00 C ATOM 0 H PHE A 15 63.509 -5.306 -5.530 1.00 0.00 H new ATOM 0 HA PHE A 15 60.760 -6.205 -6.091 1.00 0.00 H new ATOM 0 HB2 PHE A 15 60.363 -6.444 -3.625 1.00 0.00 H new ATOM 0 HB3 PHE A 15 61.316 -7.727 -4.343 1.00 0.00 H new ATOM 0 HD1 PHE A 15 61.802 -4.438 -2.579 1.00 0.00 H new ATOM 0 HD2 PHE A 15 63.274 -8.383 -3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 15 63.576 -4.078 -0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 15 64.993 -8.036 -1.568 1.00 0.00 H new ATOM 0 HZ PHE A 15 65.094 -5.924 -0.318 1.00 0.00 H new ATOM 252 N LYS A 16 59.882 -4.061 -5.044 1.00 0.00 N ATOM 253 CA LYS A 16 59.456 -2.692 -4.762 1.00 0.00 C ATOM 254 C LYS A 16 58.509 -2.668 -3.558 1.00 0.00 C ATOM 255 O LYS A 16 57.968 -3.700 -3.167 1.00 0.00 O ATOM 256 CB LYS A 16 58.785 -2.077 -5.997 1.00 0.00 C ATOM 257 CG LYS A 16 59.564 -2.321 -7.295 1.00 0.00 C ATOM 258 CD LYS A 16 58.954 -3.471 -8.088 1.00 0.00 C ATOM 259 CE LYS A 16 59.422 -3.472 -9.536 1.00 0.00 C ATOM 260 NZ LYS A 16 58.697 -4.472 -10.310 1.00 0.00 N ATOM 0 H LYS A 16 59.121 -4.722 -5.203 1.00 0.00 H new ATOM 0 HA LYS A 16 60.334 -2.094 -4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 16 57.782 -2.490 -6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 16 58.673 -1.003 -5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 16 59.562 -1.415 -7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 16 60.605 -2.546 -7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 16 59.222 -4.418 -7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 16 57.867 -3.397 -8.058 1.00 0.00 H new ATOM 0 HE2 LYS A 16 59.270 -2.485 -9.974 1.00 0.00 H new ATOM 0 HE3 LYS A 16 60.492 -3.678 -9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 59.030 -4.457 -11.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 58.863 -5.414 -9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 57.679 -4.259 -10.286 1.00 0.00 H new ATOM 274 N ILE A 17 58.338 -1.447 -2.991 1.00 0.00 N ATOM 275 CA ILE A 17 57.475 -1.270 -1.820 1.00 0.00 C ATOM 276 C ILE A 17 56.564 -0.063 -2.052 1.00 0.00 C ATOM 277 O ILE A 17 56.853 0.790 -2.883 1.00 0.00 O ATOM 278 CB ILE A 17 58.320 -1.061 -0.552 1.00 0.00 C ATOM 279 CG1 ILE A 17 59.443 -2.107 -0.451 1.00 0.00 C ATOM 280 CG2 ILE A 17 57.459 -1.061 0.715 1.00 0.00 C ATOM 281 CD1 ILE A 17 59.018 -3.518 -0.047 1.00 0.00 C ATOM 0 H ILE A 17 58.782 -0.592 -3.326 1.00 0.00 H new ATOM 0 HA ILE A 17 56.870 -2.166 -1.679 1.00 0.00 H new ATOM 0 HB ILE A 17 58.780 -0.076 -0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 17 59.946 -2.164 -1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 17 60.178 -1.751 0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 17 58.095 -0.911 1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 17 56.726 -0.256 0.657 1.00 0.00 H new ATOM 0 HG23 ILE A 17 56.942 -2.016 0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 17 59.894 -4.165 -0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 17 58.546 -3.489 0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 17 58.310 -3.908 -0.778 1.00 0.00 H new ATOM 293 N ARG A 18 55.468 -0.053 -1.271 1.00 0.00 N ATOM 294 CA ARG A 18 54.484 1.028 -1.344 1.00 0.00 C ATOM 295 C ARG A 18 54.627 1.967 -0.131 1.00 0.00 C ATOM 296 O ARG A 18 53.755 2.036 0.731 1.00 0.00 O ATOM 297 CB ARG A 18 53.087 0.402 -1.347 1.00 0.00 C ATOM 298 CG ARG A 18 52.019 1.419 -1.780 1.00 0.00 C ATOM 299 CD ARG A 18 50.740 1.311 -0.950 1.00 0.00 C ATOM 300 NE ARG A 18 50.038 0.075 -1.275 1.00 0.00 N ATOM 301 CZ ARG A 18 48.955 -0.325 -0.574 1.00 0.00 C ATOM 302 NH1 ARG A 18 48.504 0.380 0.461 1.00 0.00 N ATOM 303 NH2 ARG A 18 48.328 -1.444 -0.925 1.00 0.00 N ATOM 0 H ARG A 18 55.248 -0.778 -0.589 1.00 0.00 H new ATOM 0 HA ARG A 18 54.644 1.612 -2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 18 53.071 -0.454 -2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 18 52.852 0.027 -0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 18 52.423 2.427 -1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 18 51.780 1.265 -2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 18 50.983 1.332 0.112 1.00 0.00 H new ATOM 0 HD3 ARG A 18 50.095 2.168 -1.147 1.00 0.00 H new ATOM 0 HE ARG A 18 50.372 -0.500 -2.048 1.00 0.00 H new ATOM 0 HH11 ARG A 18 48.978 1.240 0.738 1.00 0.00 H new ATOM 0 HH12 ARG A 18 47.684 0.061 0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 18 48.666 -1.991 -1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 18 47.509 -1.755 -0.402 1.00 0.00 H new ATOM 317 N MET A 19 55.760 2.692 -0.130 1.00 0.00 N ATOM 318 CA MET A 19 56.025 3.648 0.946 1.00 0.00 C ATOM 319 C MET A 19 55.837 5.074 0.428 1.00 0.00 C ATOM 320 O MET A 19 55.429 5.286 -0.711 1.00 0.00 O ATOM 321 CB MET A 19 57.456 3.449 1.411 1.00 0.00 C ATOM 322 CG MET A 19 58.476 3.785 0.314 1.00 0.00 C ATOM 323 SD MET A 19 59.451 5.219 0.789 1.00 0.00 S ATOM 324 CE MET A 19 60.232 4.513 2.248 1.00 0.00 C ATOM 0 H MET A 19 56.486 2.634 -0.844 1.00 0.00 H new ATOM 0 HA MET A 19 55.335 3.488 1.775 1.00 0.00 H new ATOM 0 HB2 MET A 19 57.643 4.076 2.283 1.00 0.00 H new ATOM 0 HB3 MET A 19 57.593 2.415 1.727 1.00 0.00 H new ATOM 0 HG2 MET A 19 59.132 2.931 0.143 1.00 0.00 H new ATOM 0 HG3 MET A 19 57.959 3.983 -0.625 1.00 0.00 H new ATOM 0 HE1 MET A 19 60.547 5.315 2.916 1.00 0.00 H new ATOM 0 HE2 MET A 19 59.521 3.868 2.765 1.00 0.00 H new ATOM 0 HE3 MET A 19 61.102 3.928 1.948 1.00 0.00 H new ATOM 334 N GLU A 20 56.172 6.033 1.318 1.00 0.00 N ATOM 335 CA GLU A 20 56.016 7.444 0.983 1.00 0.00 C ATOM 336 C GLU A 20 57.410 8.112 0.959 1.00 0.00 C ATOM 337 O GLU A 20 58.246 7.804 1.815 1.00 0.00 O ATOM 338 CB GLU A 20 55.099 8.091 2.023 1.00 0.00 C ATOM 339 CG GLU A 20 54.203 9.190 1.429 1.00 0.00 C ATOM 340 CD GLU A 20 53.358 9.916 2.491 1.00 0.00 C ATOM 341 OE1 GLU A 20 52.985 9.298 3.489 1.00 0.00 O ATOM 342 OE2 GLU A 20 53.083 11.102 2.309 1.00 0.00 O ATOM 0 H GLU A 20 56.543 5.851 2.251 1.00 0.00 H new ATOM 0 HA GLU A 20 55.565 7.568 -0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 20 54.472 7.323 2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 20 55.707 8.517 2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 20 54.826 9.917 0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 20 53.540 8.748 0.685 1.00 0.00 H new ATOM 349 N PRO A 21 57.653 9.039 -0.010 1.00 0.00 N ATOM 350 CA PRO A 21 58.933 9.753 -0.100 1.00 0.00 C ATOM 351 C PRO A 21 59.269 10.674 1.089 1.00 0.00 C ATOM 352 O PRO A 21 60.363 11.219 1.162 1.00 0.00 O ATOM 353 CB PRO A 21 58.821 10.610 -1.373 1.00 0.00 C ATOM 354 CG PRO A 21 57.669 9.997 -2.157 1.00 0.00 C ATOM 355 CD PRO A 21 56.747 9.415 -1.096 1.00 0.00 C ATOM 0 HA PRO A 21 59.735 9.015 -0.106 1.00 0.00 H new ATOM 0 HB2 PRO A 21 58.623 11.654 -1.130 1.00 0.00 H new ATOM 0 HB3 PRO A 21 59.747 10.587 -1.948 1.00 0.00 H new ATOM 0 HG2 PRO A 21 57.156 10.747 -2.759 1.00 0.00 H new ATOM 0 HG3 PRO A 21 58.022 9.226 -2.841 1.00 0.00 H new ATOM 0 HD2 PRO A 21 56.008 10.145 -0.765 1.00 0.00 H new ATOM 0 HD3 PRO A 21 56.197 8.553 -1.474 1.00 0.00 H new ATOM 363 N ASP A 22 58.273 10.814 1.991 1.00 0.00 N ATOM 364 CA ASP A 22 58.436 11.703 3.147 1.00 0.00 C ATOM 365 C ASP A 22 59.036 10.949 4.345 1.00 0.00 C ATOM 366 O ASP A 22 59.734 11.536 5.166 1.00 0.00 O ATOM 367 CB ASP A 22 57.094 12.385 3.488 1.00 0.00 C ATOM 368 CG ASP A 22 56.102 11.573 4.352 1.00 0.00 C ATOM 369 OD1 ASP A 22 55.963 10.377 4.144 1.00 0.00 O ATOM 370 OD2 ASP A 22 55.472 12.153 5.236 1.00 0.00 O ATOM 0 H ASP A 22 57.374 10.335 1.939 1.00 0.00 H new ATOM 0 HA ASP A 22 59.146 12.490 2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 22 57.309 13.320 4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 22 56.597 12.645 2.553 1.00 0.00 H new ATOM 375 N GLU A 23 58.711 9.637 4.380 1.00 0.00 N ATOM 376 CA GLU A 23 59.121 8.814 5.523 1.00 0.00 C ATOM 377 C GLU A 23 60.636 8.740 5.584 1.00 0.00 C ATOM 378 O GLU A 23 61.340 9.028 4.620 1.00 0.00 O ATOM 379 CB GLU A 23 58.537 7.401 5.395 1.00 0.00 C ATOM 380 CG GLU A 23 57.003 7.333 5.284 1.00 0.00 C ATOM 381 CD GLU A 23 56.267 7.583 6.616 1.00 0.00 C ATOM 382 OE1 GLU A 23 56.721 8.400 7.416 1.00 0.00 O ATOM 383 OE2 GLU A 23 55.235 6.950 6.842 1.00 0.00 O ATOM 0 H GLU A 23 58.186 9.146 3.656 1.00 0.00 H new ATOM 0 HA GLU A 23 58.745 9.269 6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 23 58.970 6.924 4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 23 58.849 6.817 6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 23 56.669 8.068 4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 23 56.720 6.352 4.902 1.00 0.00 H new ATOM 390 N THR A 24 61.095 8.348 6.794 1.00 0.00 N ATOM 391 CA THR A 24 62.526 8.307 7.039 1.00 0.00 C ATOM 392 C THR A 24 63.147 6.983 6.591 1.00 0.00 C ATOM 393 O THR A 24 64.216 6.642 7.065 1.00 0.00 O ATOM 394 CB THR A 24 62.863 8.643 8.508 1.00 0.00 C ATOM 395 OG1 THR A 24 61.735 8.494 9.327 1.00 0.00 O ATOM 396 CG2 THR A 24 63.408 10.066 8.667 1.00 0.00 C ATOM 0 H THR A 24 60.508 8.068 7.580 1.00 0.00 H new ATOM 0 HA THR A 24 62.979 9.085 6.424 1.00 0.00 H new ATOM 0 HB THR A 24 63.638 7.940 8.814 1.00 0.00 H new ATOM 0 HG1 THR A 24 61.972 8.710 10.253 1.00 0.00 H new ATOM 0 HG21 THR A 24 63.630 10.255 9.717 1.00 0.00 H new ATOM 0 HG22 THR A 24 64.319 10.175 8.078 1.00 0.00 H new ATOM 0 HG23 THR A 24 62.663 10.782 8.319 1.00 0.00 H new ATOM 404 N VAL A 25 62.488 6.265 5.659 1.00 0.00 N ATOM 405 CA VAL A 25 63.055 5.006 5.154 1.00 0.00 C ATOM 406 C VAL A 25 62.827 3.867 6.169 1.00 0.00 C ATOM 407 O VAL A 25 62.688 2.728 5.763 1.00 0.00 O ATOM 408 CB VAL A 25 64.553 5.086 4.739 1.00 0.00 C ATOM 409 CG1 VAL A 25 65.074 3.789 4.087 1.00 0.00 C ATOM 410 CG2 VAL A 25 64.888 6.314 3.872 1.00 0.00 C ATOM 0 H VAL A 25 61.590 6.528 5.253 1.00 0.00 H new ATOM 0 HA VAL A 25 62.516 4.793 4.231 1.00 0.00 H new ATOM 0 HB VAL A 25 65.087 5.210 5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 25 66.124 3.912 3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 25 64.971 2.962 4.790 1.00 0.00 H new ATOM 0 HG13 VAL A 25 64.495 3.576 3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 25 65.949 6.304 3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 25 64.298 6.285 2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 25 64.655 7.224 4.425 1.00 0.00 H new ATOM 420 N LYS A 26 62.783 4.182 7.478 1.00 0.00 N ATOM 421 CA LYS A 26 62.597 3.125 8.484 1.00 0.00 C ATOM 422 C LYS A 26 61.373 2.249 8.232 1.00 0.00 C ATOM 423 O LYS A 26 61.411 1.035 8.372 1.00 0.00 O ATOM 424 CB LYS A 26 62.448 3.754 9.868 1.00 0.00 C ATOM 425 CG LYS A 26 62.305 2.704 10.981 1.00 0.00 C ATOM 426 CD LYS A 26 63.163 3.022 12.217 1.00 0.00 C ATOM 427 CE LYS A 26 64.094 1.868 12.598 1.00 0.00 C ATOM 428 NZ LYS A 26 63.446 0.890 13.460 1.00 0.00 N ATOM 0 H LYS A 26 62.871 5.127 7.852 1.00 0.00 H new ATOM 0 HA LYS A 26 63.480 2.489 8.419 1.00 0.00 H new ATOM 0 HB2 LYS A 26 63.316 4.381 10.074 1.00 0.00 H new ATOM 0 HB3 LYS A 26 61.575 4.407 9.875 1.00 0.00 H new ATOM 0 HG2 LYS A 26 61.259 2.638 11.279 1.00 0.00 H new ATOM 0 HG3 LYS A 26 62.588 1.727 10.590 1.00 0.00 H new ATOM 0 HD2 LYS A 26 63.757 3.915 12.023 1.00 0.00 H new ATOM 0 HD3 LYS A 26 62.510 3.251 13.059 1.00 0.00 H new ATOM 0 HE2 LYS A 26 64.444 1.373 11.692 1.00 0.00 H new ATOM 0 HE3 LYS A 26 64.974 2.267 13.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 64.118 0.130 13.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 63.135 1.353 14.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 62.622 0.487 12.970 1.00 0.00 H new ATOM 442 N VAL A 27 60.298 2.949 7.849 1.00 0.00 N ATOM 443 CA VAL A 27 59.068 2.254 7.478 1.00 0.00 C ATOM 444 C VAL A 27 59.319 1.231 6.360 1.00 0.00 C ATOM 445 O VAL A 27 58.800 0.127 6.399 1.00 0.00 O ATOM 446 CB VAL A 27 58.039 3.292 7.025 1.00 0.00 C ATOM 447 CG1 VAL A 27 57.429 4.037 8.224 1.00 0.00 C ATOM 448 CG2 VAL A 27 58.636 4.265 6.005 1.00 0.00 C ATOM 0 H VAL A 27 60.257 3.966 7.790 1.00 0.00 H new ATOM 0 HA VAL A 27 58.694 1.706 8.343 1.00 0.00 H new ATOM 0 HB VAL A 27 57.231 2.756 6.528 1.00 0.00 H new ATOM 0 HG11 VAL A 27 56.702 4.767 7.867 1.00 0.00 H new ATOM 0 HG12 VAL A 27 56.933 3.323 8.882 1.00 0.00 H new ATOM 0 HG13 VAL A 27 58.218 4.550 8.774 1.00 0.00 H new ATOM 0 HG21 VAL A 27 57.878 4.988 5.705 1.00 0.00 H new ATOM 0 HG22 VAL A 27 59.480 4.789 6.453 1.00 0.00 H new ATOM 0 HG23 VAL A 27 58.976 3.711 5.130 1.00 0.00 H new ATOM 458 N LEU A 28 60.155 1.653 5.398 1.00 0.00 N ATOM 459 CA LEU A 28 60.502 0.791 4.272 1.00 0.00 C ATOM 460 C LEU A 28 61.217 -0.457 4.723 1.00 0.00 C ATOM 461 O LEU A 28 61.009 -1.536 4.194 1.00 0.00 O ATOM 462 CB LEU A 28 61.466 1.540 3.371 1.00 0.00 C ATOM 463 CG LEU A 28 61.861 0.795 2.121 1.00 0.00 C ATOM 464 CD1 LEU A 28 60.657 0.488 1.259 1.00 0.00 C ATOM 465 CD2 LEU A 28 62.932 1.549 1.351 1.00 0.00 C ATOM 0 H LEU A 28 60.594 2.573 5.382 1.00 0.00 H new ATOM 0 HA LEU A 28 59.576 0.519 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 28 61.013 2.489 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 28 62.366 1.775 3.939 1.00 0.00 H new ATOM 0 HG LEU A 28 62.290 -0.161 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 28 60.976 -0.049 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 28 59.955 -0.127 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 28 60.171 1.419 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 28 63.198 0.989 0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 28 62.553 2.531 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 28 63.815 1.669 1.979 1.00 0.00 H new ATOM 477 N LYS A 29 62.080 -0.219 5.724 1.00 0.00 N ATOM 478 CA LYS A 29 62.812 -1.316 6.308 1.00 0.00 C ATOM 479 C LYS A 29 61.809 -2.369 6.794 1.00 0.00 C ATOM 480 O LYS A 29 61.998 -3.555 6.581 1.00 0.00 O ATOM 481 CB LYS A 29 63.670 -0.782 7.454 1.00 0.00 C ATOM 482 CG LYS A 29 64.565 0.404 7.107 1.00 0.00 C ATOM 483 CD LYS A 29 65.885 -0.011 6.486 1.00 0.00 C ATOM 484 CE LYS A 29 67.037 0.913 6.867 1.00 0.00 C ATOM 485 NZ LYS A 29 67.598 0.571 8.179 1.00 0.00 N ATOM 0 H LYS A 29 62.273 0.699 6.125 1.00 0.00 H new ATOM 0 HA LYS A 29 63.474 -1.783 5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 29 63.012 -0.491 8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 29 64.298 -1.593 7.823 1.00 0.00 H new ATOM 0 HG2 LYS A 29 64.036 1.062 6.417 1.00 0.00 H new ATOM 0 HG3 LYS A 29 64.761 0.981 8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 29 66.123 -1.028 6.797 1.00 0.00 H new ATOM 0 HD3 LYS A 29 65.782 -0.026 5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 29 67.819 0.851 6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 29 66.687 1.945 6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 67.772 1.442 8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 66.926 -0.030 8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 68.494 0.058 8.051 1.00 0.00 H new ATOM 499 N GLU A 30 60.723 -1.859 7.416 1.00 0.00 N ATOM 500 CA GLU A 30 59.695 -2.759 7.936 1.00 0.00 C ATOM 501 C GLU A 30 59.063 -3.609 6.826 1.00 0.00 C ATOM 502 O GLU A 30 58.828 -4.791 7.025 1.00 0.00 O ATOM 503 CB GLU A 30 58.611 -1.983 8.693 1.00 0.00 C ATOM 504 CG GLU A 30 59.187 -1.151 9.857 1.00 0.00 C ATOM 505 CD GLU A 30 58.311 -1.152 11.129 1.00 0.00 C ATOM 506 OE1 GLU A 30 57.178 -1.634 11.094 1.00 0.00 O ATOM 507 OE2 GLU A 30 58.784 -0.669 12.157 1.00 0.00 O ATOM 0 H GLU A 30 60.547 -0.865 7.562 1.00 0.00 H new ATOM 0 HA GLU A 30 60.190 -3.435 8.633 1.00 0.00 H new ATOM 0 HB2 GLU A 30 58.091 -1.322 8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 30 57.871 -2.683 9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 30 60.175 -1.535 10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 30 59.321 -0.122 9.522 1.00 0.00 H new ATOM 514 N LYS A 31 58.821 -2.948 5.675 1.00 0.00 N ATOM 515 CA LYS A 31 58.138 -3.600 4.551 1.00 0.00 C ATOM 516 C LYS A 31 59.026 -4.655 3.878 1.00 0.00 C ATOM 517 O LYS A 31 58.634 -5.807 3.748 1.00 0.00 O ATOM 518 CB LYS A 31 57.743 -2.547 3.511 1.00 0.00 C ATOM 519 CG LYS A 31 56.365 -1.923 3.758 1.00 0.00 C ATOM 520 CD LYS A 31 56.336 -0.923 4.917 1.00 0.00 C ATOM 521 CE LYS A 31 56.446 0.538 4.466 1.00 0.00 C ATOM 522 NZ LYS A 31 55.419 0.884 3.491 1.00 0.00 N ATOM 0 H LYS A 31 59.086 -1.978 5.506 1.00 0.00 H new ATOM 0 HA LYS A 31 57.254 -4.099 4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 31 58.494 -1.757 3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 31 57.753 -3.005 2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 31 56.036 -1.420 2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 31 55.647 -2.718 3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 31 55.410 -1.054 5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 31 57.155 -1.147 5.600 1.00 0.00 H new ATOM 0 HE2 LYS A 31 56.359 1.193 5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 31 57.431 0.711 4.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 55.192 1.896 3.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 55.768 0.681 2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 54.563 0.322 3.674 1.00 0.00 H new ATOM 536 N ILE A 32 60.213 -4.181 3.455 1.00 0.00 N ATOM 537 CA ILE A 32 61.216 -5.038 2.805 1.00 0.00 C ATOM 538 C ILE A 32 61.594 -6.229 3.682 1.00 0.00 C ATOM 539 O ILE A 32 61.793 -7.335 3.200 1.00 0.00 O ATOM 540 CB ILE A 32 62.468 -4.202 2.500 1.00 0.00 C ATOM 541 CG1 ILE A 32 62.163 -3.196 1.408 1.00 0.00 C ATOM 542 CG2 ILE A 32 63.663 -5.070 2.091 1.00 0.00 C ATOM 543 CD1 ILE A 32 63.215 -2.103 1.324 1.00 0.00 C ATOM 0 H ILE A 32 60.499 -3.207 3.553 1.00 0.00 H new ATOM 0 HA ILE A 32 60.787 -5.429 1.883 1.00 0.00 H new ATOM 0 HB ILE A 32 62.743 -3.682 3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 32 62.099 -3.711 0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 32 61.188 -2.746 1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 32 64.523 -4.432 1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 32 63.907 -5.758 2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 32 63.411 -5.638 1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 32 62.953 -1.406 0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 32 63.261 -1.569 2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 32 64.187 -2.549 1.111 1.00 0.00 H new ATOM 555 N GLU A 33 61.676 -5.922 4.990 1.00 0.00 N ATOM 556 CA GLU A 33 61.961 -6.972 5.957 1.00 0.00 C ATOM 557 C GLU A 33 60.769 -7.929 6.064 1.00 0.00 C ATOM 558 O GLU A 33 60.939 -9.117 6.281 1.00 0.00 O ATOM 559 CB GLU A 33 62.260 -6.342 7.321 1.00 0.00 C ATOM 560 CG GLU A 33 62.931 -7.306 8.303 1.00 0.00 C ATOM 561 CD GLU A 33 61.998 -7.925 9.355 1.00 0.00 C ATOM 562 OE1 GLU A 33 61.068 -8.641 8.991 1.00 0.00 O ATOM 563 OE2 GLU A 33 62.223 -7.691 10.541 1.00 0.00 O ATOM 0 H GLU A 33 61.553 -4.988 5.381 1.00 0.00 H new ATOM 0 HA GLU A 33 62.831 -7.540 5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 33 62.904 -5.474 7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.329 -5.980 7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 33 63.397 -8.111 7.735 1.00 0.00 H new ATOM 0 HG3 GLU A 33 63.731 -6.775 8.818 1.00 0.00 H new ATOM 570 N ALA A 34 59.562 -7.362 5.894 1.00 0.00 N ATOM 571 CA ALA A 34 58.364 -8.210 5.955 1.00 0.00 C ATOM 572 C ALA A 34 58.255 -9.131 4.726 1.00 0.00 C ATOM 573 O ALA A 34 57.670 -10.206 4.786 1.00 0.00 O ATOM 574 CB ALA A 34 57.107 -7.340 6.052 1.00 0.00 C ATOM 0 H ALA A 34 59.394 -6.371 5.722 1.00 0.00 H new ATOM 0 HA ALA A 34 58.451 -8.836 6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 34 56.225 -7.979 6.097 1.00 0.00 H new ATOM 0 HB2 ALA A 34 57.157 -6.727 6.952 1.00 0.00 H new ATOM 0 HB3 ALA A 34 57.043 -6.694 5.176 1.00 0.00 H new ATOM 580 N GLU A 35 58.852 -8.631 3.626 1.00 0.00 N ATOM 581 CA GLU A 35 58.847 -9.375 2.373 1.00 0.00 C ATOM 582 C GLU A 35 59.817 -10.558 2.484 1.00 0.00 C ATOM 583 O GLU A 35 59.488 -11.678 2.111 1.00 0.00 O ATOM 584 CB GLU A 35 59.246 -8.408 1.253 1.00 0.00 C ATOM 585 CG GLU A 35 59.667 -9.125 -0.042 1.00 0.00 C ATOM 586 CD GLU A 35 60.500 -8.240 -0.948 1.00 0.00 C ATOM 587 OE1 GLU A 35 61.194 -7.347 -0.457 1.00 0.00 O ATOM 588 OE2 GLU A 35 60.448 -8.484 -2.147 1.00 0.00 O ATOM 0 H GLU A 35 59.332 -7.732 3.589 1.00 0.00 H new ATOM 0 HA GLU A 35 57.861 -9.783 2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 35 58.408 -7.745 1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 35 60.068 -7.781 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 35 60.236 -10.020 0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 35 58.777 -9.453 -0.578 1.00 0.00 H new ATOM 595 N LYS A 36 61.022 -10.223 2.989 1.00 0.00 N ATOM 596 CA LYS A 36 62.088 -11.218 3.050 1.00 0.00 C ATOM 597 C LYS A 36 62.163 -11.857 4.437 1.00 0.00 C ATOM 598 O LYS A 36 61.911 -13.046 4.602 1.00 0.00 O ATOM 599 CB LYS A 36 63.413 -10.570 2.626 1.00 0.00 C ATOM 600 CG LYS A 36 64.058 -11.242 1.393 1.00 0.00 C ATOM 601 CD LYS A 36 63.972 -12.760 1.341 1.00 0.00 C ATOM 602 CE LYS A 36 62.915 -13.179 0.321 1.00 0.00 C ATOM 603 NZ LYS A 36 62.485 -14.547 0.547 1.00 0.00 N ATOM 0 H LYS A 36 61.268 -9.300 3.347 1.00 0.00 H new ATOM 0 HA LYS A 36 61.873 -12.029 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 36 63.240 -9.516 2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 36 64.113 -10.612 3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 36 63.586 -10.840 0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 36 65.109 -10.956 1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 36 64.940 -13.180 1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 36 63.718 -13.154 2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 36 62.057 -12.509 0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 36 63.319 -13.083 -0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 61.767 -14.806 -0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 63.301 -15.186 0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 62.078 -14.630 1.501 1.00 0.00 H new ATOM 617 N GLY A 37 62.532 -10.998 5.400 1.00 0.00 N ATOM 618 CA GLY A 37 62.604 -11.417 6.795 1.00 0.00 C ATOM 619 C GLY A 37 63.767 -10.708 7.469 1.00 0.00 C ATOM 620 O GLY A 37 64.528 -9.975 6.842 1.00 0.00 O ATOM 0 H GLY A 37 62.781 -10.023 5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 37 61.672 -11.180 7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 37 62.736 -12.497 6.857 1.00 0.00 H new ATOM 624 N ARG A 38 63.859 -10.995 8.781 1.00 0.00 N ATOM 625 CA ARG A 38 64.947 -10.438 9.585 1.00 0.00 C ATOM 626 C ARG A 38 66.303 -11.114 9.270 1.00 0.00 C ATOM 627 O ARG A 38 67.343 -10.705 9.770 1.00 0.00 O ATOM 628 CB ARG A 38 64.607 -10.590 11.074 1.00 0.00 C ATOM 629 CG ARG A 38 64.572 -12.050 11.558 1.00 0.00 C ATOM 630 CD ARG A 38 64.491 -12.158 13.082 1.00 0.00 C ATOM 631 NE ARG A 38 63.099 -12.154 13.515 1.00 0.00 N ATOM 632 CZ ARG A 38 62.767 -12.121 14.824 1.00 0.00 C ATOM 633 NH1 ARG A 38 63.702 -12.049 15.771 1.00 0.00 N ATOM 634 NH2 ARG A 38 61.485 -12.164 15.172 1.00 0.00 N ATOM 0 H ARG A 38 63.209 -11.594 9.290 1.00 0.00 H new ATOM 0 HA ARG A 38 65.050 -9.382 9.335 1.00 0.00 H new ATOM 0 HB2 ARG A 38 65.341 -10.040 11.663 1.00 0.00 H new ATOM 0 HB3 ARG A 38 63.637 -10.131 11.264 1.00 0.00 H new ATOM 0 HG2 ARG A 38 63.715 -12.556 11.115 1.00 0.00 H new ATOM 0 HG3 ARG A 38 65.465 -12.568 11.207 1.00 0.00 H new ATOM 0 HD2 ARG A 38 64.980 -13.073 13.415 1.00 0.00 H new ATOM 0 HD3 ARG A 38 65.025 -11.326 13.541 1.00 0.00 H new ATOM 0 HE ARG A 38 62.359 -12.177 12.814 1.00 0.00 H new ATOM 0 HH11 ARG A 38 64.688 -12.018 15.513 1.00 0.00 H new ATOM 0 HH12 ARG A 38 63.431 -12.025 16.754 1.00 0.00 H new ATOM 0 HH21 ARG A 38 60.763 -12.221 14.454 1.00 0.00 H new ATOM 0 HH22 ARG A 38 61.223 -12.140 16.157 1.00 0.00 H new ATOM 648 N ASP A 39 66.231 -12.177 8.443 1.00 0.00 N ATOM 649 CA ASP A 39 67.440 -12.917 8.085 1.00 0.00 C ATOM 650 C ASP A 39 68.013 -12.380 6.773 1.00 0.00 C ATOM 651 O ASP A 39 69.222 -12.326 6.582 1.00 0.00 O ATOM 652 CB ASP A 39 67.093 -14.413 7.961 1.00 0.00 C ATOM 653 CG ASP A 39 68.084 -15.257 8.781 1.00 0.00 C ATOM 654 OD1 ASP A 39 67.917 -15.337 9.997 1.00 0.00 O ATOM 655 OD2 ASP A 39 69.012 -15.816 8.197 1.00 0.00 O ATOM 0 H ASP A 39 65.370 -12.529 8.025 1.00 0.00 H new ATOM 0 HA ASP A 39 68.196 -12.790 8.860 1.00 0.00 H new ATOM 0 HB2 ASP A 39 66.076 -14.589 8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 39 67.125 -14.716 6.914 1.00 0.00 H new ATOM 660 N ALA A 40 67.066 -11.993 5.893 1.00 0.00 N ATOM 661 CA ALA A 40 67.477 -11.477 4.597 1.00 0.00 C ATOM 662 C ALA A 40 67.854 -9.997 4.742 1.00 0.00 C ATOM 663 O ALA A 40 68.993 -9.619 4.487 1.00 0.00 O ATOM 664 CB ALA A 40 66.364 -11.705 3.578 1.00 0.00 C ATOM 0 H ALA A 40 66.060 -12.029 6.056 1.00 0.00 H new ATOM 0 HA ALA A 40 68.357 -12.006 4.232 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.674 -11.318 2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 40 66.160 -12.773 3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 40 65.461 -11.188 3.903 1.00 0.00 H new ATOM 670 N PHE A 41 66.836 -9.203 5.153 1.00 0.00 N ATOM 671 CA PHE A 41 67.012 -7.755 5.298 1.00 0.00 C ATOM 672 C PHE A 41 66.355 -7.311 6.619 1.00 0.00 C ATOM 673 O PHE A 41 65.247 -6.767 6.613 1.00 0.00 O ATOM 674 CB PHE A 41 66.412 -6.973 4.114 1.00 0.00 C ATOM 675 CG PHE A 41 66.513 -7.670 2.801 1.00 0.00 C ATOM 676 CD1 PHE A 41 67.733 -8.086 2.287 1.00 0.00 C ATOM 677 CD2 PHE A 41 65.352 -7.927 2.097 1.00 0.00 C ATOM 678 CE1 PHE A 41 67.781 -8.830 1.120 1.00 0.00 C ATOM 679 CE2 PHE A 41 65.401 -8.623 0.915 1.00 0.00 C ATOM 680 CZ PHE A 41 66.608 -9.111 0.444 1.00 0.00 C ATOM 0 H PHE A 41 65.902 -9.543 5.384 1.00 0.00 H new ATOM 0 HA PHE A 41 68.080 -7.536 5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 41 65.362 -6.770 4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 41 66.915 -6.009 4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 41 68.648 -7.829 2.799 1.00 0.00 H new ATOM 0 HD2 PHE A 41 64.403 -7.579 2.478 1.00 0.00 H new ATOM 0 HE1 PHE A 41 68.727 -9.188 0.741 1.00 0.00 H new ATOM 0 HE2 PHE A 41 64.495 -8.790 0.351 1.00 0.00 H new ATOM 0 HZ PHE A 41 66.633 -9.712 -0.453 1.00 0.00 H new ATOM 690 N PRO A 42 67.053 -7.523 7.757 1.00 0.00 N ATOM 691 CA PRO A 42 66.603 -7.017 9.051 1.00 0.00 C ATOM 692 C PRO A 42 66.803 -5.510 9.095 1.00 0.00 C ATOM 693 O PRO A 42 67.908 -5.048 8.846 1.00 0.00 O ATOM 694 CB PRO A 42 67.528 -7.666 10.072 1.00 0.00 C ATOM 695 CG PRO A 42 68.796 -8.014 9.283 1.00 0.00 C ATOM 696 CD PRO A 42 68.332 -8.226 7.840 1.00 0.00 C ATOM 0 HA PRO A 42 65.552 -7.236 9.238 1.00 0.00 H new ATOM 0 HB2 PRO A 42 67.748 -6.986 10.895 1.00 0.00 H new ATOM 0 HB3 PRO A 42 67.075 -8.557 10.507 1.00 0.00 H new ATOM 0 HG2 PRO A 42 69.530 -7.211 9.345 1.00 0.00 H new ATOM 0 HG3 PRO A 42 69.271 -8.912 9.679 1.00 0.00 H new ATOM 0 HD2 PRO A 42 69.053 -7.823 7.129 1.00 0.00 H new ATOM 0 HD3 PRO A 42 68.217 -9.286 7.612 1.00 0.00 H new ATOM 704 N VAL A 43 65.698 -4.790 9.399 1.00 0.00 N ATOM 705 CA VAL A 43 65.683 -3.321 9.481 1.00 0.00 C ATOM 706 C VAL A 43 66.950 -2.695 10.115 1.00 0.00 C ATOM 707 O VAL A 43 67.365 -1.601 9.745 1.00 0.00 O ATOM 708 CB VAL A 43 64.429 -2.839 10.234 1.00 0.00 C ATOM 709 CG1 VAL A 43 63.151 -3.115 9.439 1.00 0.00 C ATOM 710 CG2 VAL A 43 64.303 -3.431 11.644 1.00 0.00 C ATOM 0 H VAL A 43 64.793 -5.218 9.594 1.00 0.00 H new ATOM 0 HA VAL A 43 65.666 -2.976 8.447 1.00 0.00 H new ATOM 0 HB VAL A 43 64.555 -1.762 10.344 1.00 0.00 H new ATOM 0 HG11 VAL A 43 62.288 -2.761 10.003 1.00 0.00 H new ATOM 0 HG12 VAL A 43 63.198 -2.594 8.483 1.00 0.00 H new ATOM 0 HG13 VAL A 43 63.055 -4.187 9.264 1.00 0.00 H new ATOM 0 HG21 VAL A 43 63.399 -3.051 12.119 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.249 -4.518 11.579 1.00 0.00 H new ATOM 0 HG23 VAL A 43 65.172 -3.146 12.237 1.00 0.00 H new ATOM 720 N ALA A 44 67.515 -3.469 11.054 1.00 0.00 N ATOM 721 CA ALA A 44 68.769 -3.103 11.721 1.00 0.00 C ATOM 722 C ALA A 44 69.903 -2.889 10.700 1.00 0.00 C ATOM 723 O ALA A 44 70.378 -1.775 10.514 1.00 0.00 O ATOM 724 CB ALA A 44 69.098 -4.201 12.747 1.00 0.00 C ATOM 0 H ALA A 44 67.120 -4.355 11.368 1.00 0.00 H new ATOM 0 HA ALA A 44 68.659 -2.151 12.241 1.00 0.00 H new ATOM 0 HB1 ALA A 44 70.028 -3.954 13.259 1.00 0.00 H new ATOM 0 HB2 ALA A 44 68.290 -4.272 13.476 1.00 0.00 H new ATOM 0 HB3 ALA A 44 69.209 -5.157 12.234 1.00 0.00 H new ATOM 730 N GLY A 45 70.294 -4.013 10.059 1.00 0.00 N ATOM 731 CA GLY A 45 71.393 -3.954 9.093 1.00 0.00 C ATOM 732 C GLY A 45 70.940 -3.489 7.703 1.00 0.00 C ATOM 733 O GLY A 45 71.756 -3.366 6.795 1.00 0.00 O ATOM 0 H GLY A 45 69.878 -4.935 10.191 1.00 0.00 H new ATOM 0 HA2 GLY A 45 72.161 -3.276 9.465 1.00 0.00 H new ATOM 0 HA3 GLY A 45 71.851 -4.940 9.010 1.00 0.00 H new ATOM 737 N GLN A 46 69.616 -3.253 7.579 1.00 0.00 N ATOM 738 CA GLN A 46 69.078 -2.870 6.280 1.00 0.00 C ATOM 739 C GLN A 46 69.652 -1.511 5.883 1.00 0.00 C ATOM 740 O GLN A 46 69.623 -0.552 6.649 1.00 0.00 O ATOM 741 CB GLN A 46 67.558 -2.816 6.322 1.00 0.00 C ATOM 742 CG GLN A 46 66.816 -4.135 6.078 1.00 0.00 C ATOM 743 CD GLN A 46 65.784 -4.007 4.953 1.00 0.00 C ATOM 744 OE1 GLN A 46 66.105 -3.681 3.818 1.00 0.00 O ATOM 745 NE2 GLN A 46 64.532 -4.318 5.337 1.00 0.00 N ATOM 0 H GLN A 46 68.934 -3.320 8.335 1.00 0.00 H new ATOM 0 HA GLN A 46 69.364 -3.615 5.538 1.00 0.00 H new ATOM 0 HB2 GLN A 46 67.258 -2.432 7.297 1.00 0.00 H new ATOM 0 HB3 GLN A 46 67.222 -2.094 5.578 1.00 0.00 H new ATOM 0 HG2 GLN A 46 67.534 -4.915 5.825 1.00 0.00 H new ATOM 0 HG3 GLN A 46 66.317 -4.446 6.996 1.00 0.00 H new ATOM 0 HE21 GLN A 46 64.346 -4.581 6.305 1.00 0.00 H new ATOM 0 HE22 GLN A 46 63.769 -4.291 4.660 1.00 0.00 H new ATOM 754 N LYS A 47 70.193 -1.510 4.656 1.00 0.00 N ATOM 755 CA LYS A 47 70.783 -0.302 4.092 1.00 0.00 C ATOM 756 C LYS A 47 70.424 -0.257 2.618 1.00 0.00 C ATOM 757 O LYS A 47 70.230 -1.290 1.983 1.00 0.00 O ATOM 758 CB LYS A 47 72.303 -0.338 4.253 1.00 0.00 C ATOM 759 CG LYS A 47 72.775 0.034 5.655 1.00 0.00 C ATOM 760 CD LYS A 47 74.304 -0.054 5.762 1.00 0.00 C ATOM 761 CE LYS A 47 74.780 -1.427 6.260 1.00 0.00 C ATOM 762 NZ LYS A 47 75.365 -1.344 7.594 1.00 0.00 N ATOM 0 H LYS A 47 70.231 -2.326 4.046 1.00 0.00 H new ATOM 0 HA LYS A 47 70.404 0.581 4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 47 72.663 -1.338 4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 47 72.753 0.346 3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 47 72.448 1.045 5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 47 72.317 -0.632 6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 47 74.746 0.148 4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 47 74.663 0.720 6.441 1.00 0.00 H new ATOM 0 HE2 LYS A 47 73.939 -2.121 6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 47 75.515 -1.831 5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 75.675 -2.290 7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 76.183 -0.701 7.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 74.655 -0.982 8.262 1.00 0.00 H new ATOM 776 N LEU A 48 70.303 0.988 2.124 1.00 0.00 N ATOM 777 CA LEU A 48 69.870 1.200 0.749 1.00 0.00 C ATOM 778 C LEU A 48 70.853 2.139 0.053 1.00 0.00 C ATOM 779 O LEU A 48 71.437 2.992 0.716 1.00 0.00 O ATOM 780 CB LEU A 48 68.450 1.744 0.741 1.00 0.00 C ATOM 781 CG LEU A 48 67.386 0.734 1.181 1.00 0.00 C ATOM 782 CD1 LEU A 48 67.272 0.632 2.708 1.00 0.00 C ATOM 783 CD2 LEU A 48 66.034 1.140 0.639 1.00 0.00 C ATOM 0 H LEU A 48 70.496 1.840 2.650 1.00 0.00 H new ATOM 0 HA LEU A 48 69.862 0.259 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.403 2.613 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 48 68.212 2.090 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 48 67.694 -0.235 0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.504 -0.097 2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.229 0.315 3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 48 67.002 1.605 3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.283 0.417 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.771 2.127 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 48 66.072 1.169 -0.450 1.00 0.00 H new ATOM 795 N ILE A 49 71.057 1.931 -1.275 1.00 0.00 N ATOM 796 CA ILE A 49 72.070 2.712 -2.012 1.00 0.00 C ATOM 797 C ILE A 49 71.458 3.452 -3.205 1.00 0.00 C ATOM 798 O ILE A 49 71.041 2.824 -4.175 1.00 0.00 O ATOM 799 CB ILE A 49 73.232 1.842 -2.553 1.00 0.00 C ATOM 800 CG1 ILE A 49 73.585 0.622 -1.692 1.00 0.00 C ATOM 801 CG2 ILE A 49 74.488 2.688 -2.823 1.00 0.00 C ATOM 802 CD1 ILE A 49 73.613 0.902 -0.202 1.00 0.00 C ATOM 0 H ILE A 49 70.548 1.249 -1.837 1.00 0.00 H new ATOM 0 HA ILE A 49 72.461 3.419 -1.280 1.00 0.00 H new ATOM 0 HB ILE A 49 72.853 1.438 -3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 49 72.862 -0.169 -1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 49 74.561 0.245 -1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 49 75.284 2.047 -3.202 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.258 3.455 -3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 49 74.813 3.162 -1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 49 73.870 -0.011 0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 49 74.357 1.670 0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 49 72.632 1.249 0.122 1.00 0.00 H new ATOM 814 N TYR A 50 71.440 4.801 -3.098 1.00 0.00 N ATOM 815 CA TYR A 50 70.851 5.627 -4.151 1.00 0.00 C ATOM 816 C TYR A 50 71.920 6.565 -4.692 1.00 0.00 C ATOM 817 O TYR A 50 72.438 7.404 -3.966 1.00 0.00 O ATOM 818 CB TYR A 50 69.689 6.458 -3.587 1.00 0.00 C ATOM 819 CG TYR A 50 68.748 6.860 -4.690 1.00 0.00 C ATOM 820 CD1 TYR A 50 67.770 5.992 -5.164 1.00 0.00 C ATOM 821 CD2 TYR A 50 68.841 8.128 -5.250 1.00 0.00 C ATOM 822 CE1 TYR A 50 66.893 6.383 -6.160 1.00 0.00 C ATOM 823 CE2 TYR A 50 67.957 8.530 -6.232 1.00 0.00 C ATOM 824 CZ TYR A 50 66.979 7.659 -6.679 1.00 0.00 C ATOM 825 OH TYR A 50 66.077 8.080 -7.626 1.00 0.00 O ATOM 0 H TYR A 50 71.820 5.322 -2.308 1.00 0.00 H new ATOM 0 HA TYR A 50 70.472 4.984 -4.945 1.00 0.00 H new ATOM 0 HB2 TYR A 50 69.152 5.880 -2.835 1.00 0.00 H new ATOM 0 HB3 TYR A 50 70.077 7.347 -3.089 1.00 0.00 H new ATOM 0 HD1 TYR A 50 67.694 4.998 -4.748 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.612 8.806 -4.914 1.00 0.00 H new ATOM 0 HE1 TYR A 50 66.147 5.695 -6.529 1.00 0.00 H new ATOM 0 HE2 TYR A 50 68.029 9.523 -6.651 1.00 0.00 H new ATOM 0 HH TYR A 50 65.676 8.928 -7.342 1.00 0.00 H new ATOM 835 N ALA A 51 72.204 6.378 -5.999 1.00 0.00 N ATOM 836 CA ALA A 51 73.186 7.211 -6.696 1.00 0.00 C ATOM 837 C ALA A 51 74.611 6.982 -6.151 1.00 0.00 C ATOM 838 O ALA A 51 75.421 7.900 -6.093 1.00 0.00 O ATOM 839 CB ALA A 51 72.799 8.698 -6.629 1.00 0.00 C ATOM 0 H ALA A 51 71.768 5.663 -6.581 1.00 0.00 H new ATOM 0 HA ALA A 51 73.184 6.911 -7.744 1.00 0.00 H new ATOM 0 HB1 ALA A 51 73.546 9.292 -7.155 1.00 0.00 H new ATOM 0 HB2 ALA A 51 71.825 8.842 -7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 51 72.751 9.015 -5.587 1.00 0.00 H new ATOM 845 N GLY A 52 74.849 5.716 -5.740 1.00 0.00 N ATOM 846 CA GLY A 52 76.150 5.358 -5.170 1.00 0.00 C ATOM 847 C GLY A 52 76.281 5.718 -3.673 1.00 0.00 C ATOM 848 O GLY A 52 77.230 5.298 -3.017 1.00 0.00 O ATOM 0 H GLY A 52 74.175 4.952 -5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 52 76.311 4.287 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 52 76.936 5.866 -5.729 1.00 0.00 H new ATOM 852 N LYS A 53 75.296 6.503 -3.183 1.00 0.00 N ATOM 853 CA LYS A 53 75.269 6.931 -1.779 1.00 0.00 C ATOM 854 C LYS A 53 74.497 5.912 -0.952 1.00 0.00 C ATOM 855 O LYS A 53 73.837 5.053 -1.534 1.00 0.00 O ATOM 856 CB LYS A 53 74.552 8.286 -1.686 1.00 0.00 C ATOM 857 CG LYS A 53 75.515 9.446 -1.449 1.00 0.00 C ATOM 858 CD LYS A 53 74.832 10.608 -0.712 1.00 0.00 C ATOM 859 CE LYS A 53 74.669 11.840 -1.596 1.00 0.00 C ATOM 860 NZ LYS A 53 73.851 11.566 -2.773 1.00 0.00 N ATOM 0 H LYS A 53 74.515 6.848 -3.741 1.00 0.00 H new ATOM 0 HA LYS A 53 76.289 7.015 -1.403 1.00 0.00 H new ATOM 0 HB2 LYS A 53 73.996 8.463 -2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 53 73.824 8.252 -0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 53 76.369 9.098 -0.868 1.00 0.00 H new ATOM 0 HG3 LYS A 53 75.903 9.799 -2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 53 73.853 10.285 -0.359 1.00 0.00 H new ATOM 0 HD3 LYS A 53 75.418 10.871 0.169 1.00 0.00 H new ATOM 0 HE2 LYS A 53 74.213 12.643 -1.017 1.00 0.00 H new ATOM 0 HE3 LYS A 53 75.651 12.192 -1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 73.611 12.461 -3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 74.381 10.959 -3.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 72.977 11.082 -2.483 1.00 0.00 H new ATOM 874 N ILE A 54 74.576 6.042 0.386 1.00 0.00 N ATOM 875 CA ILE A 54 73.888 5.135 1.324 1.00 0.00 C ATOM 876 C ILE A 54 72.837 5.917 2.105 1.00 0.00 C ATOM 877 O ILE A 54 72.980 7.126 2.311 1.00 0.00 O ATOM 878 CB ILE A 54 74.917 4.493 2.292 1.00 0.00 C ATOM 879 CG1 ILE A 54 75.211 3.036 1.906 1.00 0.00 C ATOM 880 CG2 ILE A 54 74.555 4.585 3.795 1.00 0.00 C ATOM 881 CD1 ILE A 54 74.178 2.055 2.477 1.00 0.00 C ATOM 0 H ILE A 54 75.116 6.775 0.845 1.00 0.00 H new ATOM 0 HA ILE A 54 73.396 4.338 0.766 1.00 0.00 H new ATOM 0 HB ILE A 54 75.815 5.099 2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 54 75.229 2.948 0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 54 76.203 2.762 2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 54 75.336 4.108 4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 54 74.468 5.632 4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 54 73.606 4.080 3.972 1.00 0.00 H new ATOM 0 HD11 ILE A 54 74.434 1.040 2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 54 74.178 2.119 3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 54 73.188 2.308 2.098 1.00 0.00 H new ATOM 893 N LEU A 55 71.827 5.158 2.563 1.00 0.00 N ATOM 894 CA LEU A 55 70.704 5.692 3.334 1.00 0.00 C ATOM 895 C LEU A 55 70.294 4.666 4.400 1.00 0.00 C ATOM 896 O LEU A 55 70.186 3.464 4.137 1.00 0.00 O ATOM 897 CB LEU A 55 69.521 5.998 2.403 1.00 0.00 C ATOM 898 CG LEU A 55 69.304 5.008 1.261 1.00 0.00 C ATOM 899 CD1 LEU A 55 67.820 4.957 0.910 1.00 0.00 C ATOM 900 CD2 LEU A 55 70.107 5.344 -0.011 1.00 0.00 C ATOM 0 H LEU A 55 71.771 4.152 2.405 1.00 0.00 H new ATOM 0 HA LEU A 55 71.004 6.619 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.612 6.038 3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.665 6.991 1.976 1.00 0.00 H new ATOM 0 HG LEU A 55 69.663 4.042 1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 55 67.663 4.251 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.251 4.637 1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.485 5.947 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 55 69.902 4.597 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 55 69.815 6.329 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 55 71.172 5.344 0.220 1.00 0.00 H new ATOM 912 N SER A 56 70.069 5.221 5.608 1.00 0.00 N ATOM 913 CA SER A 56 69.630 4.454 6.777 1.00 0.00 C ATOM 914 C SER A 56 68.144 4.740 7.047 1.00 0.00 C ATOM 915 O SER A 56 67.523 5.599 6.430 1.00 0.00 O ATOM 916 CB SER A 56 70.516 4.840 7.979 1.00 0.00 C ATOM 917 OG SER A 56 70.006 4.403 9.215 1.00 0.00 O ATOM 0 H SER A 56 70.189 6.217 5.794 1.00 0.00 H new ATOM 0 HA SER A 56 69.733 3.383 6.602 1.00 0.00 H new ATOM 0 HB2 SER A 56 71.511 4.419 7.836 1.00 0.00 H new ATOM 0 HB3 SER A 56 70.629 5.924 8.004 1.00 0.00 H new ATOM 0 HG SER A 56 70.612 4.677 9.934 1.00 0.00 H new ATOM 923 N ASP A 57 67.624 3.968 8.017 1.00 0.00 N ATOM 924 CA ASP A 57 66.237 4.089 8.471 1.00 0.00 C ATOM 925 C ASP A 57 65.895 5.461 9.078 1.00 0.00 C ATOM 926 O ASP A 57 64.729 5.770 9.274 1.00 0.00 O ATOM 927 CB ASP A 57 65.960 2.997 9.521 1.00 0.00 C ATOM 928 CG ASP A 57 66.871 2.979 10.762 1.00 0.00 C ATOM 929 OD1 ASP A 57 67.485 3.991 11.094 1.00 0.00 O ATOM 930 OD2 ASP A 57 66.958 1.929 11.398 1.00 0.00 O ATOM 0 H ASP A 57 68.155 3.246 8.504 1.00 0.00 H new ATOM 0 HA ASP A 57 65.609 3.974 7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 57 64.929 3.104 9.858 1.00 0.00 H new ATOM 0 HB3 ASP A 57 66.036 2.027 9.030 1.00 0.00 H new ATOM 935 N ASP A 58 66.931 6.257 9.390 1.00 0.00 N ATOM 936 CA ASP A 58 66.650 7.548 10.025 1.00 0.00 C ATOM 937 C ASP A 58 66.659 8.688 8.991 1.00 0.00 C ATOM 938 O ASP A 58 66.288 9.807 9.306 1.00 0.00 O ATOM 939 CB ASP A 58 67.695 7.793 11.124 1.00 0.00 C ATOM 940 CG ASP A 58 67.104 8.657 12.258 1.00 0.00 C ATOM 941 OD1 ASP A 58 66.994 9.870 12.085 1.00 0.00 O ATOM 942 OD2 ASP A 58 66.758 8.103 13.300 1.00 0.00 O ATOM 0 H ASP A 58 67.915 6.045 9.224 1.00 0.00 H new ATOM 0 HA ASP A 58 65.654 7.526 10.467 1.00 0.00 H new ATOM 0 HB2 ASP A 58 68.036 6.839 11.527 1.00 0.00 H new ATOM 0 HB3 ASP A 58 68.567 8.290 10.699 1.00 0.00 H new ATOM 947 N VAL A 59 67.112 8.346 7.760 1.00 0.00 N ATOM 948 CA VAL A 59 67.246 9.383 6.730 1.00 0.00 C ATOM 949 C VAL A 59 65.943 9.453 5.907 1.00 0.00 C ATOM 950 O VAL A 59 65.285 8.452 5.743 1.00 0.00 O ATOM 951 CB VAL A 59 68.439 9.076 5.806 1.00 0.00 C ATOM 952 CG1 VAL A 59 69.622 8.475 6.568 1.00 0.00 C ATOM 953 CG2 VAL A 59 68.078 8.168 4.626 1.00 0.00 C ATOM 0 H VAL A 59 67.377 7.404 7.473 1.00 0.00 H new ATOM 0 HA VAL A 59 67.426 10.344 7.212 1.00 0.00 H new ATOM 0 HB VAL A 59 68.731 10.045 5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 59 70.438 8.276 5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 59 69.958 9.177 7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 59 69.314 7.543 7.042 1.00 0.00 H new ATOM 0 HG21 VAL A 59 68.965 7.993 4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 59 67.702 7.216 5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 59 67.310 8.648 4.019 1.00 0.00 H new ATOM 963 N PRO A 60 65.609 10.639 5.349 1.00 0.00 N ATOM 964 CA PRO A 60 64.403 10.797 4.527 1.00 0.00 C ATOM 965 C PRO A 60 64.611 10.236 3.111 1.00 0.00 C ATOM 966 O PRO A 60 65.654 10.437 2.508 1.00 0.00 O ATOM 967 CB PRO A 60 64.150 12.310 4.508 1.00 0.00 C ATOM 968 CG PRO A 60 65.304 12.947 5.297 1.00 0.00 C ATOM 969 CD PRO A 60 66.370 11.869 5.450 1.00 0.00 C ATOM 0 HA PRO A 60 63.553 10.245 4.928 1.00 0.00 H new ATOM 0 HB2 PRO A 60 64.122 12.687 3.486 1.00 0.00 H new ATOM 0 HB3 PRO A 60 63.189 12.550 4.962 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.702 13.814 4.770 1.00 0.00 H new ATOM 0 HG3 PRO A 60 64.962 13.295 6.271 1.00 0.00 H new ATOM 0 HD2 PRO A 60 67.129 11.939 4.671 1.00 0.00 H new ATOM 0 HD3 PRO A 60 66.887 11.946 6.406 1.00 0.00 H new ATOM 977 N ILE A 61 63.573 9.523 2.616 1.00 0.00 N ATOM 978 CA ILE A 61 63.592 9.033 1.229 1.00 0.00 C ATOM 979 C ILE A 61 63.734 10.204 0.240 1.00 0.00 C ATOM 980 O ILE A 61 64.388 10.101 -0.791 1.00 0.00 O ATOM 981 CB ILE A 61 62.287 8.265 0.949 1.00 0.00 C ATOM 982 CG1 ILE A 61 62.176 7.034 1.849 1.00 0.00 C ATOM 983 CG2 ILE A 61 62.095 7.875 -0.529 1.00 0.00 C ATOM 984 CD1 ILE A 61 62.940 5.800 1.339 1.00 0.00 C ATOM 0 H ILE A 61 62.735 9.282 3.145 1.00 0.00 H new ATOM 0 HA ILE A 61 64.447 8.370 1.097 1.00 0.00 H new ATOM 0 HB ILE A 61 61.480 8.959 1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.547 7.291 2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 61 61.123 6.774 1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.154 7.338 -0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 61 62.077 8.775 -1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 61 62.919 7.236 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 61 62.806 4.975 2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.555 5.513 0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.001 6.037 1.256 1.00 0.00 H new ATOM 996 N ARG A 62 63.096 11.324 0.624 1.00 0.00 N ATOM 997 CA ARG A 62 63.166 12.514 -0.223 1.00 0.00 C ATOM 998 C ARG A 62 64.604 13.050 -0.305 1.00 0.00 C ATOM 999 O ARG A 62 65.000 13.632 -1.308 1.00 0.00 O ATOM 1000 CB ARG A 62 62.173 13.561 0.305 1.00 0.00 C ATOM 1001 CG ARG A 62 62.632 15.025 0.159 1.00 0.00 C ATOM 1002 CD ARG A 62 61.464 15.988 -0.063 1.00 0.00 C ATOM 1003 NE ARG A 62 61.558 17.153 0.804 1.00 0.00 N ATOM 1004 CZ ARG A 62 61.450 17.050 2.146 1.00 0.00 C ATOM 1005 NH1 ARG A 62 61.292 15.868 2.742 1.00 0.00 N ATOM 1006 NH2 ARG A 62 61.508 18.153 2.885 1.00 0.00 N ATOM 0 H ARG A 62 62.549 11.425 1.479 1.00 0.00 H new ATOM 0 HA ARG A 62 62.882 12.260 -1.244 1.00 0.00 H new ATOM 0 HB2 ARG A 62 61.226 13.439 -0.220 1.00 0.00 H new ATOM 0 HB3 ARG A 62 61.981 13.359 1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 62 63.178 15.322 1.055 1.00 0.00 H new ATOM 0 HG3 ARG A 62 63.326 15.103 -0.678 1.00 0.00 H new ATOM 0 HD2 ARG A 62 61.449 16.309 -1.105 1.00 0.00 H new ATOM 0 HD3 ARG A 62 60.524 15.470 0.124 1.00 0.00 H new ATOM 0 HE ARG A 62 61.709 18.071 0.387 1.00 0.00 H new ATOM 0 HH11 ARG A 62 61.250 15.016 2.182 1.00 0.00 H new ATOM 0 HH12 ARG A 62 61.213 15.815 3.758 1.00 0.00 H new ATOM 0 HH21 ARG A 62 61.633 19.061 2.437 1.00 0.00 H new ATOM 0 HH22 ARG A 62 61.428 18.092 3.900 1.00 0.00 H new ATOM 1020 N ASP A 63 65.351 12.817 0.795 1.00 0.00 N ATOM 1021 CA ASP A 63 66.734 13.280 0.847 1.00 0.00 C ATOM 1022 C ASP A 63 67.605 12.608 -0.229 1.00 0.00 C ATOM 1023 O ASP A 63 68.603 13.163 -0.672 1.00 0.00 O ATOM 1024 CB ASP A 63 67.301 12.987 2.241 1.00 0.00 C ATOM 1025 CG ASP A 63 68.590 13.775 2.529 1.00 0.00 C ATOM 1026 OD1 ASP A 63 68.561 15.002 2.439 1.00 0.00 O ATOM 1027 OD2 ASP A 63 69.605 13.155 2.842 1.00 0.00 O ATOM 0 H ASP A 63 65.025 12.327 1.628 1.00 0.00 H new ATOM 0 HA ASP A 63 66.747 14.352 0.649 1.00 0.00 H new ATOM 0 HB2 ASP A 63 66.552 13.234 2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 63 67.504 11.920 2.331 1.00 0.00 H new ATOM 1032 N TYR A 64 67.150 11.395 -0.613 1.00 0.00 N ATOM 1033 CA TYR A 64 67.838 10.610 -1.633 1.00 0.00 C ATOM 1034 C TYR A 64 67.018 10.565 -2.920 1.00 0.00 C ATOM 1035 O TYR A 64 67.286 9.728 -3.761 1.00 0.00 O ATOM 1036 CB TYR A 64 68.067 9.183 -1.121 1.00 0.00 C ATOM 1037 CG TYR A 64 69.078 9.188 -0.018 1.00 0.00 C ATOM 1038 CD1 TYR A 64 68.693 9.543 1.268 1.00 0.00 C ATOM 1039 CD2 TYR A 64 70.405 8.872 -0.265 1.00 0.00 C ATOM 1040 CE1 TYR A 64 69.621 9.615 2.284 1.00 0.00 C ATOM 1041 CE2 TYR A 64 71.334 8.912 0.767 1.00 0.00 C ATOM 1042 CZ TYR A 64 70.944 9.290 2.043 1.00 0.00 C ATOM 1043 OH TYR A 64 71.837 9.334 3.094 1.00 0.00 O ATOM 0 H TYR A 64 66.316 10.951 -0.229 1.00 0.00 H new ATOM 0 HA TYR A 64 68.798 11.082 -1.845 1.00 0.00 H new ATOM 0 HB2 TYR A 64 67.128 8.762 -0.762 1.00 0.00 H new ATOM 0 HB3 TYR A 64 68.410 8.547 -1.937 1.00 0.00 H new ATOM 0 HD1 TYR A 64 67.656 9.765 1.474 1.00 0.00 H new ATOM 0 HD2 TYR A 64 70.717 8.594 -1.261 1.00 0.00 H new ATOM 0 HE1 TYR A 64 69.315 9.926 3.272 1.00 0.00 H new ATOM 0 HE2 TYR A 64 72.363 8.648 0.575 1.00 0.00 H new ATOM 0 HH TYR A 64 72.567 8.701 2.930 1.00 0.00 H new ATOM 1053 N ARG A 65 66.027 11.464 -3.042 1.00 0.00 N ATOM 1054 CA ARG A 65 65.194 11.574 -4.251 1.00 0.00 C ATOM 1055 C ARG A 65 64.794 10.218 -4.859 1.00 0.00 C ATOM 1056 O ARG A 65 64.844 10.048 -6.072 1.00 0.00 O ATOM 1057 CB ARG A 65 65.894 12.428 -5.324 1.00 0.00 C ATOM 1058 CG ARG A 65 66.617 13.661 -4.762 1.00 0.00 C ATOM 1059 CD ARG A 65 66.400 14.918 -5.611 1.00 0.00 C ATOM 1060 NE ARG A 65 66.270 16.086 -4.749 1.00 0.00 N ATOM 1061 CZ ARG A 65 67.334 16.724 -4.219 1.00 0.00 C ATOM 1062 NH1 ARG A 65 68.577 16.317 -4.470 1.00 0.00 N ATOM 1063 NH2 ARG A 65 67.131 17.777 -3.432 1.00 0.00 N ATOM 0 H ARG A 65 65.782 12.131 -2.310 1.00 0.00 H new ATOM 0 HA ARG A 65 64.274 12.059 -3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 65 66.615 11.807 -5.856 1.00 0.00 H new ATOM 0 HB3 ARG A 65 65.154 12.754 -6.055 1.00 0.00 H new ATOM 0 HG2 ARG A 65 66.268 13.850 -3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 65 67.685 13.452 -4.698 1.00 0.00 H new ATOM 0 HD2 ARG A 65 67.237 15.053 -6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 65 65.504 14.805 -6.221 1.00 0.00 H new ATOM 0 HE ARG A 65 65.335 16.436 -4.538 1.00 0.00 H new ATOM 0 HH11 ARG A 65 68.737 15.510 -5.072 1.00 0.00 H new ATOM 0 HH12 ARG A 65 69.369 16.813 -4.060 1.00 0.00 H new ATOM 0 HH21 ARG A 65 66.181 18.092 -3.236 1.00 0.00 H new ATOM 0 HH22 ARG A 65 67.926 18.270 -3.024 1.00 0.00 H new ATOM 1077 N ILE A 66 64.439 9.275 -3.949 1.00 0.00 N ATOM 1078 CA ILE A 66 64.201 7.892 -4.381 1.00 0.00 C ATOM 1079 C ILE A 66 62.886 7.812 -5.157 1.00 0.00 C ATOM 1080 O ILE A 66 61.817 7.570 -4.602 1.00 0.00 O ATOM 1081 CB ILE A 66 64.231 6.892 -3.209 1.00 0.00 C ATOM 1082 CG1 ILE A 66 65.229 7.322 -2.127 1.00 0.00 C ATOM 1083 CG2 ILE A 66 64.475 5.449 -3.685 1.00 0.00 C ATOM 1084 CD1 ILE A 66 65.816 6.208 -1.280 1.00 0.00 C ATOM 0 H ILE A 66 64.317 9.446 -2.951 1.00 0.00 H new ATOM 0 HA ILE A 66 65.019 7.602 -5.041 1.00 0.00 H new ATOM 0 HB ILE A 66 63.241 6.902 -2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 66 66.049 7.855 -2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 66 64.733 8.031 -1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 66 64.488 4.779 -2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 66 63.677 5.150 -4.365 1.00 0.00 H new ATOM 0 HG23 ILE A 66 65.433 5.394 -4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 66 66.507 6.631 -0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 66 65.014 5.685 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 66 66.350 5.506 -1.921 1.00 0.00 H new ATOM 1096 N ASP A 67 63.052 8.044 -6.474 1.00 0.00 N ATOM 1097 CA ASP A 67 61.907 8.068 -7.377 1.00 0.00 C ATOM 1098 C ASP A 67 61.720 6.658 -7.913 1.00 0.00 C ATOM 1099 O ASP A 67 62.659 5.869 -7.918 1.00 0.00 O ATOM 1100 CB ASP A 67 62.133 9.109 -8.490 1.00 0.00 C ATOM 1101 CG ASP A 67 63.414 8.903 -9.315 1.00 0.00 C ATOM 1102 OD1 ASP A 67 63.398 8.089 -10.234 1.00 0.00 O ATOM 1103 OD2 ASP A 67 64.409 9.574 -9.050 1.00 0.00 O ATOM 0 H ASP A 67 63.953 8.213 -6.920 1.00 0.00 H new ATOM 0 HA ASP A 67 60.995 8.371 -6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 67 61.277 9.091 -9.164 1.00 0.00 H new ATOM 0 HB3 ASP A 67 62.163 10.101 -8.040 1.00 0.00 H new ATOM 1108 N GLU A 68 60.473 6.387 -8.351 1.00 0.00 N ATOM 1109 CA GLU A 68 60.137 5.078 -8.924 1.00 0.00 C ATOM 1110 C GLU A 68 61.020 4.755 -10.140 1.00 0.00 C ATOM 1111 O GLU A 68 61.504 3.638 -10.278 1.00 0.00 O ATOM 1112 CB GLU A 68 58.656 5.072 -9.332 1.00 0.00 C ATOM 1113 CG GLU A 68 58.224 3.833 -10.161 1.00 0.00 C ATOM 1114 CD GLU A 68 57.407 4.250 -11.396 1.00 0.00 C ATOM 1115 OE1 GLU A 68 57.998 4.774 -12.341 1.00 0.00 O ATOM 1116 OE2 GLU A 68 56.194 4.045 -11.401 1.00 0.00 O ATOM 0 H GLU A 68 59.697 7.049 -8.318 1.00 0.00 H new ATOM 0 HA GLU A 68 60.319 4.312 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 68 58.044 5.123 -8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 68 58.448 5.972 -9.911 1.00 0.00 H new ATOM 0 HG2 GLU A 68 59.107 3.277 -10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 68 57.631 3.164 -9.538 1.00 0.00 H new ATOM 1123 N LYS A 69 61.197 5.793 -10.993 1.00 0.00 N ATOM 1124 CA LYS A 69 61.998 5.651 -12.216 1.00 0.00 C ATOM 1125 C LYS A 69 63.385 5.025 -11.942 1.00 0.00 C ATOM 1126 O LYS A 69 63.945 4.320 -12.777 1.00 0.00 O ATOM 1127 CB LYS A 69 62.122 7.027 -12.908 1.00 0.00 C ATOM 1128 CG LYS A 69 61.967 6.937 -14.432 1.00 0.00 C ATOM 1129 CD LYS A 69 63.272 6.562 -15.143 1.00 0.00 C ATOM 1130 CE LYS A 69 63.045 5.959 -16.535 1.00 0.00 C ATOM 1131 NZ LYS A 69 63.300 4.521 -16.555 1.00 0.00 N ATOM 0 H LYS A 69 60.799 6.722 -10.853 1.00 0.00 H new ATOM 0 HA LYS A 69 61.485 4.959 -12.884 1.00 0.00 H new ATOM 0 HB2 LYS A 69 61.364 7.700 -12.508 1.00 0.00 H new ATOM 0 HB3 LYS A 69 63.092 7.463 -12.670 1.00 0.00 H new ATOM 0 HG2 LYS A 69 61.203 6.197 -14.671 1.00 0.00 H new ATOM 0 HG3 LYS A 69 61.614 7.895 -14.813 1.00 0.00 H new ATOM 0 HD2 LYS A 69 63.897 7.450 -15.236 1.00 0.00 H new ATOM 0 HD3 LYS A 69 63.821 5.848 -14.529 1.00 0.00 H new ATOM 0 HE2 LYS A 69 62.019 6.150 -16.850 1.00 0.00 H new ATOM 0 HE3 LYS A 69 63.697 6.453 -17.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 63.135 4.153 -17.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 64.286 4.339 -16.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 62.660 4.046 -15.887 1.00 0.00 H new ATOM 1145 N ASN A 70 63.866 5.304 -10.717 1.00 0.00 N ATOM 1146 CA ASN A 70 65.133 4.768 -10.239 1.00 0.00 C ATOM 1147 C ASN A 70 64.836 3.733 -9.150 1.00 0.00 C ATOM 1148 O ASN A 70 63.784 3.744 -8.512 1.00 0.00 O ATOM 1149 CB ASN A 70 65.945 5.943 -9.685 1.00 0.00 C ATOM 1150 CG ASN A 70 67.455 5.652 -9.633 1.00 0.00 C ATOM 1151 OD1 ASN A 70 67.828 4.835 -8.633 1.00 0.00 O flip ATOM 1152 ND2 ASN A 70 68.225 6.135 -10.453 1.00 0.00 N flip ATOM 0 H ASN A 70 63.386 5.902 -10.044 1.00 0.00 H new ATOM 0 HA ASN A 70 65.701 4.280 -11.031 1.00 0.00 H new ATOM 0 HB2 ASN A 70 65.770 6.823 -10.304 1.00 0.00 H new ATOM 0 HB3 ASN A 70 65.591 6.183 -8.682 1.00 0.00 H new ATOM 0 HD21 ASN A 70 67.870 6.748 -11.187 1.00 0.00 H new ATOM 0 HD22 ASN A 70 69.222 5.924 -10.403 1.00 0.00 H new ATOM 1159 N PHE A 71 65.827 2.847 -8.977 1.00 0.00 N ATOM 1160 CA PHE A 71 65.751 1.868 -7.903 1.00 0.00 C ATOM 1161 C PHE A 71 67.022 1.937 -7.058 1.00 0.00 C ATOM 1162 O PHE A 71 68.136 2.044 -7.570 1.00 0.00 O ATOM 1163 CB PHE A 71 65.459 0.494 -8.522 1.00 0.00 C ATOM 1164 CG PHE A 71 66.645 -0.281 -9.003 1.00 0.00 C ATOM 1165 CD1 PHE A 71 67.540 -0.799 -8.085 1.00 0.00 C ATOM 1166 CD2 PHE A 71 66.864 -0.485 -10.361 1.00 0.00 C ATOM 1167 CE1 PHE A 71 68.688 -1.446 -8.510 1.00 0.00 C ATOM 1168 CE2 PHE A 71 67.980 -1.181 -10.786 1.00 0.00 C ATOM 1169 CZ PHE A 71 68.906 -1.647 -9.858 1.00 0.00 C ATOM 0 H PHE A 71 66.666 2.793 -9.554 1.00 0.00 H new ATOM 0 HA PHE A 71 64.935 2.076 -7.211 1.00 0.00 H new ATOM 0 HB2 PHE A 71 64.933 -0.110 -7.783 1.00 0.00 H new ATOM 0 HB3 PHE A 71 64.778 0.635 -9.362 1.00 0.00 H new ATOM 0 HD1 PHE A 71 67.342 -0.698 -7.028 1.00 0.00 H new ATOM 0 HD2 PHE A 71 66.161 -0.099 -11.085 1.00 0.00 H new ATOM 0 HE1 PHE A 71 69.412 -1.793 -7.788 1.00 0.00 H new ATOM 0 HE2 PHE A 71 68.133 -1.363 -11.839 1.00 0.00 H new ATOM 0 HZ PHE A 71 69.793 -2.165 -10.192 1.00 0.00 H new ATOM 1179 N VAL A 72 66.782 1.842 -5.738 1.00 0.00 N ATOM 1180 CA VAL A 72 67.877 1.801 -4.776 1.00 0.00 C ATOM 1181 C VAL A 72 68.283 0.350 -4.499 1.00 0.00 C ATOM 1182 O VAL A 72 67.487 -0.569 -4.650 1.00 0.00 O ATOM 1183 CB VAL A 72 67.385 2.520 -3.510 1.00 0.00 C ATOM 1184 CG1 VAL A 72 66.994 1.598 -2.382 1.00 0.00 C ATOM 1185 CG2 VAL A 72 68.410 3.482 -2.962 1.00 0.00 C ATOM 0 H VAL A 72 65.850 1.793 -5.326 1.00 0.00 H new ATOM 0 HA VAL A 72 68.768 2.300 -5.157 1.00 0.00 H new ATOM 0 HB VAL A 72 66.497 3.050 -3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 72 66.659 2.188 -1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 72 66.186 0.944 -2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 72 67.854 0.995 -2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 72 68.015 3.965 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 72 69.320 2.938 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 72 68.637 4.239 -3.713 1.00 0.00 H new ATOM 1195 N VAL A 73 69.545 0.197 -4.055 1.00 0.00 N ATOM 1196 CA VAL A 73 70.021 -1.150 -3.738 1.00 0.00 C ATOM 1197 C VAL A 73 69.904 -1.443 -2.238 1.00 0.00 C ATOM 1198 O VAL A 73 70.642 -0.882 -1.442 1.00 0.00 O ATOM 1199 CB VAL A 73 71.479 -1.323 -4.187 1.00 0.00 C ATOM 1200 CG1 VAL A 73 72.108 -2.614 -3.620 1.00 0.00 C ATOM 1201 CG2 VAL A 73 71.597 -1.266 -5.710 1.00 0.00 C ATOM 0 H VAL A 73 70.218 0.950 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 73 69.392 -1.858 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 73 72.046 -0.487 -3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 73 73.140 -2.697 -3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 73 72.089 -2.580 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 73 71.540 -3.478 -3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 73 72.640 -1.391 -5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 73 71.000 -2.064 -6.151 1.00 0.00 H new ATOM 0 HG23 VAL A 73 71.235 -0.302 -6.067 1.00 0.00 H new ATOM 1211 N VAL A 74 69.007 -2.398 -1.911 1.00 0.00 N ATOM 1212 CA VAL A 74 68.859 -2.876 -0.526 1.00 0.00 C ATOM 1213 C VAL A 74 69.990 -3.870 -0.165 1.00 0.00 C ATOM 1214 O VAL A 74 69.836 -5.084 -0.258 1.00 0.00 O ATOM 1215 CB VAL A 74 67.474 -3.540 -0.345 1.00 0.00 C ATOM 1216 CG1 VAL A 74 67.122 -4.425 -1.548 1.00 0.00 C ATOM 1217 CG2 VAL A 74 67.355 -4.322 0.984 1.00 0.00 C ATOM 0 H VAL A 74 68.383 -2.847 -2.581 1.00 0.00 H new ATOM 0 HA VAL A 74 68.933 -2.023 0.148 1.00 0.00 H new ATOM 0 HB VAL A 74 66.745 -2.732 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 74 66.143 -4.878 -1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 74 67.101 -3.817 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 74 67.872 -5.209 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 74 66.362 -4.767 1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 74 68.108 -5.109 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 74 67.510 -3.642 1.822 1.00 0.00 H new ATOM 1227 N MET A 75 71.110 -3.277 0.297 1.00 0.00 N ATOM 1228 CA MET A 75 72.241 -4.059 0.796 1.00 0.00 C ATOM 1229 C MET A 75 72.169 -4.170 2.324 1.00 0.00 C ATOM 1230 O MET A 75 71.904 -3.193 3.013 1.00 0.00 O ATOM 1231 CB MET A 75 73.540 -3.362 0.371 1.00 0.00 C ATOM 1232 CG MET A 75 74.789 -3.959 1.041 1.00 0.00 C ATOM 1233 SD MET A 75 76.186 -4.056 -0.087 1.00 0.00 S ATOM 1234 CE MET A 75 76.927 -5.564 0.567 1.00 0.00 C ATOM 0 H MET A 75 71.247 -2.267 0.332 1.00 0.00 H new ATOM 0 HA MET A 75 72.212 -5.066 0.380 1.00 0.00 H new ATOM 0 HB2 MET A 75 73.646 -3.433 -0.712 1.00 0.00 H new ATOM 0 HB3 MET A 75 73.474 -2.302 0.616 1.00 0.00 H new ATOM 0 HG2 MET A 75 75.062 -3.351 1.903 1.00 0.00 H new ATOM 0 HG3 MET A 75 74.557 -4.956 1.415 1.00 0.00 H new ATOM 0 HE1 MET A 75 77.824 -5.806 -0.003 1.00 0.00 H new ATOM 0 HE2 MET A 75 77.192 -5.415 1.614 1.00 0.00 H new ATOM 0 HE3 MET A 75 76.214 -6.384 0.486 1.00 0.00 H new ATOM 1244 N VAL A 76 72.433 -5.408 2.804 1.00 0.00 N ATOM 1245 CA VAL A 76 72.446 -5.675 4.245 1.00 0.00 C ATOM 1246 C VAL A 76 73.552 -6.692 4.564 1.00 0.00 C ATOM 1247 O VAL A 76 73.505 -7.841 4.132 1.00 0.00 O ATOM 1248 CB VAL A 76 71.085 -6.235 4.703 1.00 0.00 C ATOM 1249 CG1 VAL A 76 71.000 -6.258 6.242 1.00 0.00 C ATOM 1250 CG2 VAL A 76 69.911 -5.499 4.041 1.00 0.00 C ATOM 0 H VAL A 76 72.635 -6.219 2.219 1.00 0.00 H new ATOM 0 HA VAL A 76 72.636 -4.741 4.775 1.00 0.00 H new ATOM 0 HB VAL A 76 71.006 -7.268 4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 76 70.032 -6.656 6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 76 71.794 -6.889 6.641 1.00 0.00 H new ATOM 0 HG13 VAL A 76 71.113 -5.245 6.628 1.00 0.00 H new ATOM 0 HG21 VAL A 76 68.971 -5.925 4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 76 69.950 -4.442 4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 76 69.978 -5.607 2.958 1.00 0.00 H new