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 Set 1.1: A 6 THR OG1 : rot 180:sc= -0.108 USER MOD Set 1.2: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 32:sc= 0.0454 USER MOD Single : A 19 MET CE :methyl -130:sc= -10.1! (180deg=-14.5!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= -1.46 (180deg=-1.54) USER MOD Single : A 31 LYS NZ :NH3+ 153:sc= -0.153 (180deg=-1.19!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -5.86 K(o=-5.9,f=-10!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 115:sc= 0.596 USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00699) USER MOD Single : A 56 SER OG : rot 180:sc= -0.388 USER MOD Single : A 64 TYR OH : rot 124:sc= 1.27 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -2.49 K(o=-2.5,f=-0.31) USER MOD Single : A 75 MET CE :methyl 171:sc= -0.315 (180deg=-0.582) USER MOD ----------------------------------------------------------------- ATOM 60 N ILE A 5 58.237 2.500 -4.708 1.00 0.00 N ATOM 61 CA ILE A 5 59.667 2.340 -4.542 1.00 0.00 C ATOM 62 C ILE A 5 60.047 1.059 -5.287 1.00 0.00 C ATOM 63 O ILE A 5 59.185 0.261 -5.592 1.00 0.00 O ATOM 64 CB ILE A 5 60.022 2.335 -3.026 1.00 0.00 C ATOM 65 CG1 ILE A 5 60.524 3.722 -2.605 1.00 0.00 C ATOM 66 CG2 ILE A 5 61.018 1.255 -2.642 1.00 0.00 C ATOM 67 CD1 ILE A 5 61.458 3.718 -1.402 1.00 0.00 C ATOM 0 HA ILE A 5 60.244 3.164 -4.962 1.00 0.00 H new ATOM 0 HB ILE A 5 59.106 2.097 -2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 5 61.041 4.179 -3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 5 59.664 4.352 -2.379 1.00 0.00 H new ATOM 0 HG21 ILE A 5 61.220 1.310 -1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 5 60.604 0.276 -2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 5 61.946 1.403 -3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 5 61.763 4.739 -1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 5 60.941 3.294 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 5 62.339 3.118 -1.628 1.00 0.00 H new ATOM 79 N THR A 6 61.363 0.913 -5.555 1.00 0.00 N ATOM 80 CA THR A 6 61.910 -0.296 -6.152 1.00 0.00 C ATOM 81 C THR A 6 63.341 -0.459 -5.656 1.00 0.00 C ATOM 82 O THR A 6 64.111 0.477 -5.743 1.00 0.00 O ATOM 83 CB THR A 6 61.871 -0.181 -7.682 1.00 0.00 C ATOM 84 OG1 THR A 6 60.533 -0.184 -8.107 1.00 0.00 O ATOM 85 CG2 THR A 6 62.603 -1.306 -8.433 1.00 0.00 C ATOM 0 H THR A 6 62.060 1.632 -5.360 1.00 0.00 H new ATOM 0 HA THR A 6 61.322 -1.169 -5.867 1.00 0.00 H new ATOM 0 HB THR A 6 62.390 0.748 -7.918 1.00 0.00 H new ATOM 0 HG1 THR A 6 60.500 -0.109 -9.084 1.00 0.00 H new ATOM 0 HG21 THR A 6 62.521 -1.140 -9.507 1.00 0.00 H new ATOM 0 HG22 THR A 6 63.654 -1.311 -8.146 1.00 0.00 H new ATOM 0 HG23 THR A 6 62.153 -2.266 -8.179 1.00 0.00 H new ATOM 93 N LEU A 7 63.668 -1.668 -5.135 1.00 0.00 N ATOM 94 CA LEU A 7 65.017 -1.937 -4.658 1.00 0.00 C ATOM 95 C LEU A 7 65.518 -3.282 -5.204 1.00 0.00 C ATOM 96 O LEU A 7 64.752 -4.081 -5.717 1.00 0.00 O ATOM 97 CB LEU A 7 65.112 -1.922 -3.120 1.00 0.00 C ATOM 98 CG LEU A 7 64.319 -0.820 -2.402 1.00 0.00 C ATOM 99 CD1 LEU A 7 64.568 0.581 -2.986 1.00 0.00 C ATOM 100 CD2 LEU A 7 62.833 -1.167 -2.309 1.00 0.00 C ATOM 0 H LEU A 7 63.018 -2.449 -5.042 1.00 0.00 H new ATOM 0 HA LEU A 7 65.653 -1.133 -5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 7 64.772 -2.888 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 7 66.162 -1.825 -2.843 1.00 0.00 H new ATOM 0 HG LEU A 7 64.700 -0.776 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 7 63.979 1.315 -2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 7 65.626 0.828 -2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 7 64.275 0.595 -4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 7 62.304 -0.365 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 7 62.424 -1.287 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 7 62.711 -2.097 -1.753 1.00 0.00 H new ATOM 112 N LYS A 8 66.852 -3.468 -5.051 1.00 0.00 N ATOM 113 CA LYS A 8 67.527 -4.675 -5.507 1.00 0.00 C ATOM 114 C LYS A 8 68.458 -5.165 -4.411 1.00 0.00 C ATOM 115 O LYS A 8 69.083 -4.376 -3.730 1.00 0.00 O ATOM 116 CB LYS A 8 68.344 -4.367 -6.767 1.00 0.00 C ATOM 117 CG LYS A 8 68.347 -5.508 -7.791 1.00 0.00 C ATOM 118 CD LYS A 8 68.321 -4.998 -9.244 1.00 0.00 C ATOM 119 CE LYS A 8 69.666 -5.115 -9.969 1.00 0.00 C ATOM 120 NZ LYS A 8 69.547 -5.962 -11.145 1.00 0.00 N ATOM 0 H LYS A 8 67.470 -2.786 -4.612 1.00 0.00 H new ATOM 0 HA LYS A 8 66.787 -5.442 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 8 67.945 -3.469 -7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 8 69.372 -4.146 -6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 8 69.234 -6.123 -7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 8 67.482 -6.148 -7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 8 67.569 -5.557 -9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 8 68.008 -3.954 -9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 8 70.013 -4.124 -10.262 1.00 0.00 H new ATOM 0 HE3 LYS A 8 70.414 -5.528 -9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 70.470 -6.027 -11.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 69.237 -6.913 -10.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 68.849 -5.553 -11.798 1.00 0.00 H new ATOM 218 N THR A 14 64.979 -8.543 -6.906 1.00 0.00 N ATOM 219 CA THR A 14 64.587 -7.172 -7.190 1.00 0.00 C ATOM 220 C THR A 14 63.076 -7.040 -6.972 1.00 0.00 C ATOM 221 O THR A 14 62.278 -7.620 -7.689 1.00 0.00 O ATOM 222 CB THR A 14 64.942 -6.787 -8.638 1.00 0.00 C ATOM 223 OG1 THR A 14 66.119 -7.443 -9.045 1.00 0.00 O ATOM 224 CG2 THR A 14 65.093 -5.266 -8.793 1.00 0.00 C ATOM 0 HA THR A 14 65.125 -6.500 -6.522 1.00 0.00 H new ATOM 0 HB THR A 14 64.121 -7.107 -9.280 1.00 0.00 H new ATOM 0 HG1 THR A 14 66.180 -8.313 -8.598 1.00 0.00 H new ATOM 0 HG21 THR A 14 65.344 -5.029 -9.827 1.00 0.00 H new ATOM 0 HG22 THR A 14 64.156 -4.778 -8.526 1.00 0.00 H new ATOM 0 HG23 THR A 14 65.887 -4.910 -8.136 1.00 0.00 H new ATOM 232 N PHE A 15 62.749 -6.241 -5.937 1.00 0.00 N ATOM 233 CA PHE A 15 61.363 -6.006 -5.559 1.00 0.00 C ATOM 234 C PHE A 15 61.104 -4.498 -5.501 1.00 0.00 C ATOM 235 O PHE A 15 61.857 -3.696 -6.031 1.00 0.00 O ATOM 236 CB PHE A 15 61.099 -6.713 -4.224 1.00 0.00 C ATOM 237 CG PHE A 15 62.227 -6.516 -3.249 1.00 0.00 C ATOM 238 CD1 PHE A 15 62.464 -5.282 -2.647 1.00 0.00 C ATOM 239 CD2 PHE A 15 63.025 -7.601 -2.912 1.00 0.00 C ATOM 240 CE1 PHE A 15 63.468 -5.151 -1.703 1.00 0.00 C ATOM 241 CE2 PHE A 15 64.013 -7.471 -1.956 1.00 0.00 C ATOM 242 CZ PHE A 15 64.219 -6.254 -1.334 1.00 0.00 C ATOM 0 H PHE A 15 63.432 -5.754 -5.356 1.00 0.00 H new ATOM 0 HA PHE A 15 60.671 -6.417 -6.294 1.00 0.00 H new ATOM 0 HB2 PHE A 15 60.174 -6.334 -3.790 1.00 0.00 H new ATOM 0 HB3 PHE A 15 60.955 -7.779 -4.401 1.00 0.00 H new ATOM 0 HD1 PHE A 15 61.863 -4.426 -2.917 1.00 0.00 H new ATOM 0 HD2 PHE A 15 62.872 -8.552 -3.400 1.00 0.00 H new ATOM 0 HE1 PHE A 15 63.665 -4.189 -1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 15 64.625 -8.321 -1.694 1.00 0.00 H new ATOM 0 HZ PHE A 15 64.966 -6.163 -0.560 1.00 0.00 H new ATOM 252 N LYS A 16 59.979 -4.182 -4.826 1.00 0.00 N ATOM 253 CA LYS A 16 59.501 -2.827 -4.692 1.00 0.00 C ATOM 254 C LYS A 16 58.506 -2.751 -3.536 1.00 0.00 C ATOM 255 O LYS A 16 57.946 -3.749 -3.107 1.00 0.00 O ATOM 256 CB LYS A 16 58.806 -2.383 -5.991 1.00 0.00 C ATOM 257 CG LYS A 16 58.156 -3.505 -6.800 1.00 0.00 C ATOM 258 CD LYS A 16 56.936 -3.006 -7.588 1.00 0.00 C ATOM 259 CE LYS A 16 57.093 -3.161 -9.099 1.00 0.00 C ATOM 260 NZ LYS A 16 57.914 -2.106 -9.678 1.00 0.00 N ATOM 0 H LYS A 16 59.389 -4.875 -4.365 1.00 0.00 H new ATOM 0 HA LYS A 16 60.347 -2.169 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 16 58.041 -1.647 -5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 16 59.539 -1.880 -6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 16 58.887 -3.926 -7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 16 57.852 -4.308 -6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 16 56.052 -3.554 -7.263 1.00 0.00 H new ATOM 0 HD3 LYS A 16 56.764 -1.956 -7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 16 57.542 -4.130 -9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 16 56.109 -3.152 -9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 57.993 -2.252 -10.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 57.474 -1.182 -9.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 58.862 -2.130 -9.251 1.00 0.00 H new ATOM 274 N ILE A 17 58.337 -1.492 -3.068 1.00 0.00 N ATOM 275 CA ILE A 17 57.477 -1.239 -1.922 1.00 0.00 C ATOM 276 C ILE A 17 56.699 0.053 -2.176 1.00 0.00 C ATOM 277 O ILE A 17 57.165 0.927 -2.875 1.00 0.00 O ATOM 278 CB ILE A 17 58.327 -1.097 -0.652 1.00 0.00 C ATOM 279 CG1 ILE A 17 59.495 -2.106 -0.592 1.00 0.00 C ATOM 280 CG2 ILE A 17 57.430 -1.202 0.578 1.00 0.00 C ATOM 281 CD1 ILE A 17 59.093 -3.551 -0.266 1.00 0.00 C ATOM 0 H ILE A 17 58.780 -0.663 -3.465 1.00 0.00 H new ATOM 0 HA ILE A 17 56.785 -2.070 -1.785 1.00 0.00 H new ATOM 0 HB ILE A 17 58.793 -0.112 -0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 17 60.012 -2.097 -1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 17 60.210 -1.766 0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 17 58.035 -1.101 1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 17 56.683 -0.409 0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 17 56.931 -2.171 0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 17 59.983 -4.181 -0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 17 58.606 -3.582 0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 17 58.405 -3.918 -1.028 1.00 0.00 H new ATOM 293 N ARG A 18 55.499 0.137 -1.561 1.00 0.00 N ATOM 294 CA ARG A 18 54.718 1.358 -1.663 1.00 0.00 C ATOM 295 C ARG A 18 55.481 2.535 -1.036 1.00 0.00 C ATOM 296 O ARG A 18 56.103 3.307 -1.734 1.00 0.00 O ATOM 297 CB ARG A 18 53.330 1.163 -1.046 1.00 0.00 C ATOM 298 CG ARG A 18 52.503 2.456 -0.975 1.00 0.00 C ATOM 299 CD ARG A 18 51.060 2.205 -0.555 1.00 0.00 C ATOM 300 NE ARG A 18 50.212 2.177 -1.738 1.00 0.00 N ATOM 301 CZ ARG A 18 48.872 2.297 -1.651 1.00 0.00 C ATOM 302 NH1 ARG A 18 48.274 2.426 -0.470 1.00 0.00 N ATOM 303 NH2 ARG A 18 48.141 2.288 -2.761 1.00 0.00 N ATOM 0 H ARG A 18 55.073 -0.608 -1.009 1.00 0.00 H new ATOM 0 HA ARG A 18 54.565 1.599 -2.715 1.00 0.00 H new ATOM 0 HB2 ARG A 18 52.783 0.423 -1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 18 53.442 0.757 -0.041 1.00 0.00 H new ATOM 0 HG2 ARG A 18 52.969 3.143 -0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 18 52.514 2.944 -1.949 1.00 0.00 H new ATOM 0 HD2 ARG A 18 50.985 1.260 -0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 18 50.726 2.987 0.127 1.00 0.00 H new ATOM 0 HE ARG A 18 50.642 2.064 -2.656 1.00 0.00 H new ATOM 0 HH11 ARG A 18 48.830 2.435 0.385 1.00 0.00 H new ATOM 0 HH12 ARG A 18 47.259 2.516 -0.419 1.00 0.00 H new ATOM 0 HH21 ARG A 18 48.594 2.191 -3.669 1.00 0.00 H new ATOM 0 HH22 ARG A 18 47.127 2.378 -2.704 1.00 0.00 H new ATOM 317 N MET A 19 55.361 2.616 0.315 1.00 0.00 N ATOM 318 CA MET A 19 55.941 3.667 1.135 1.00 0.00 C ATOM 319 C MET A 19 55.745 5.095 0.567 1.00 0.00 C ATOM 320 O MET A 19 54.955 5.306 -0.335 1.00 0.00 O ATOM 321 CB MET A 19 57.403 3.345 1.410 1.00 0.00 C ATOM 322 CG MET A 19 58.383 3.651 0.254 1.00 0.00 C ATOM 323 SD MET A 19 59.468 5.026 0.638 1.00 0.00 S ATOM 324 CE MET A 19 60.058 4.456 2.230 1.00 0.00 C ATOM 0 H MET A 19 54.842 1.927 0.860 1.00 0.00 H new ATOM 0 HA MET A 19 55.394 3.683 2.078 1.00 0.00 H new ATOM 0 HB2 MET A 19 57.721 3.905 2.290 1.00 0.00 H new ATOM 0 HB3 MET A 19 57.483 2.287 1.660 1.00 0.00 H new ATOM 0 HG2 MET A 19 58.982 2.765 0.042 1.00 0.00 H new ATOM 0 HG3 MET A 19 57.818 3.877 -0.650 1.00 0.00 H new ATOM 0 HE1 MET A 19 59.953 5.255 2.964 1.00 0.00 H new ATOM 0 HE2 MET A 19 59.473 3.593 2.547 1.00 0.00 H new ATOM 0 HE3 MET A 19 61.108 4.173 2.149 1.00 0.00 H new ATOM 334 N GLU A 20 56.525 6.046 1.141 1.00 0.00 N ATOM 335 CA GLU A 20 56.470 7.423 0.662 1.00 0.00 C ATOM 336 C GLU A 20 57.857 8.081 0.755 1.00 0.00 C ATOM 337 O GLU A 20 58.671 7.681 1.579 1.00 0.00 O ATOM 338 CB GLU A 20 55.434 8.198 1.483 1.00 0.00 C ATOM 339 CG GLU A 20 54.944 9.478 0.788 1.00 0.00 C ATOM 340 CD GLU A 20 53.589 10.009 1.272 1.00 0.00 C ATOM 341 OE1 GLU A 20 53.119 9.592 2.329 1.00 0.00 O ATOM 342 OE2 GLU A 20 53.011 10.837 0.568 1.00 0.00 O ATOM 0 H GLU A 20 57.174 5.880 1.910 1.00 0.00 H new ATOM 0 HA GLU A 20 56.171 7.435 -0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 20 54.580 7.551 1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 20 55.867 8.460 2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 20 55.693 10.258 0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 20 54.880 9.288 -0.283 1.00 0.00 H new ATOM 349 N PRO A 21 58.116 9.133 -0.098 1.00 0.00 N ATOM 350 CA PRO A 21 59.366 9.857 -0.040 1.00 0.00 C ATOM 351 C PRO A 21 59.516 10.730 1.213 1.00 0.00 C ATOM 352 O PRO A 21 60.514 11.375 1.404 1.00 0.00 O ATOM 353 CB PRO A 21 59.424 10.706 -1.328 1.00 0.00 C ATOM 354 CG PRO A 21 58.255 10.220 -2.178 1.00 0.00 C ATOM 355 CD PRO A 21 57.270 9.653 -1.160 1.00 0.00 C ATOM 0 HA PRO A 21 60.196 9.154 0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 21 59.333 11.769 -1.104 1.00 0.00 H new ATOM 0 HB3 PRO A 21 60.372 10.570 -1.847 1.00 0.00 H new ATOM 0 HG2 PRO A 21 57.812 11.035 -2.751 1.00 0.00 H new ATOM 0 HG3 PRO A 21 58.570 9.461 -2.894 1.00 0.00 H new ATOM 0 HD2 PRO A 21 56.593 10.423 -0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 21 56.652 8.869 -1.597 1.00 0.00 H new ATOM 363 N ASP A 22 58.469 10.728 2.067 1.00 0.00 N ATOM 364 CA ASP A 22 58.494 11.592 3.233 1.00 0.00 C ATOM 365 C ASP A 22 59.118 10.882 4.436 1.00 0.00 C ATOM 366 O ASP A 22 59.894 11.457 5.178 1.00 0.00 O ATOM 367 CB ASP A 22 57.062 12.060 3.544 1.00 0.00 C ATOM 368 CG ASP A 22 56.874 13.522 3.106 1.00 0.00 C ATOM 369 OD1 ASP A 22 57.424 14.404 3.765 1.00 0.00 O ATOM 370 OD2 ASP A 22 56.190 13.762 2.112 1.00 0.00 O ATOM 0 H ASP A 22 57.632 10.155 1.965 1.00 0.00 H new ATOM 0 HA ASP A 22 59.116 12.461 3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 22 56.343 11.423 3.028 1.00 0.00 H new ATOM 0 HB3 ASP A 22 56.864 11.964 4.612 1.00 0.00 H new ATOM 375 N GLU A 23 58.725 9.592 4.568 1.00 0.00 N ATOM 376 CA GLU A 23 59.139 8.781 5.704 1.00 0.00 C ATOM 377 C GLU A 23 60.669 8.689 5.744 1.00 0.00 C ATOM 378 O GLU A 23 61.345 8.981 4.773 1.00 0.00 O ATOM 379 CB GLU A 23 58.525 7.369 5.636 1.00 0.00 C ATOM 380 CG GLU A 23 57.102 7.320 5.040 1.00 0.00 C ATOM 381 CD GLU A 23 56.174 8.423 5.579 1.00 0.00 C ATOM 382 OE1 GLU A 23 55.946 8.462 6.786 1.00 0.00 O ATOM 383 OE2 GLU A 23 55.692 9.231 4.787 1.00 0.00 O ATOM 0 H GLU A 23 58.126 9.107 3.899 1.00 0.00 H new ATOM 0 HA GLU A 23 58.779 9.259 6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 23 59.177 6.731 5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 23 58.499 6.948 6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 23 57.167 7.409 3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 23 56.660 6.347 5.254 1.00 0.00 H new ATOM 390 N THR A 24 61.153 8.275 6.932 1.00 0.00 N ATOM 391 CA THR A 24 62.590 8.209 7.129 1.00 0.00 C ATOM 392 C THR A 24 63.184 6.885 6.644 1.00 0.00 C ATOM 393 O THR A 24 64.249 6.513 7.087 1.00 0.00 O ATOM 394 CB THR A 24 62.980 8.513 8.589 1.00 0.00 C ATOM 395 OG1 THR A 24 61.874 8.370 9.443 1.00 0.00 O ATOM 396 CG2 THR A 24 63.547 9.925 8.741 1.00 0.00 C ATOM 0 H THR A 24 60.586 7.994 7.732 1.00 0.00 H new ATOM 0 HA THR A 24 63.028 8.991 6.508 1.00 0.00 H new ATOM 0 HB THR A 24 63.751 7.794 8.865 1.00 0.00 H new ATOM 0 HG1 THR A 24 62.145 8.566 10.364 1.00 0.00 H new ATOM 0 HG21 THR A 24 63.810 10.101 9.784 1.00 0.00 H new ATOM 0 HG22 THR A 24 64.437 10.029 8.120 1.00 0.00 H new ATOM 0 HG23 THR A 24 62.799 10.653 8.427 1.00 0.00 H new ATOM 404 N VAL A 25 62.493 6.195 5.706 1.00 0.00 N ATOM 405 CA VAL A 25 63.026 4.945 5.166 1.00 0.00 C ATOM 406 C VAL A 25 62.820 3.779 6.151 1.00 0.00 C ATOM 407 O VAL A 25 62.725 2.646 5.740 1.00 0.00 O ATOM 408 CB VAL A 25 64.522 5.001 4.736 1.00 0.00 C ATOM 409 CG1 VAL A 25 64.969 3.724 4.012 1.00 0.00 C ATOM 410 CG2 VAL A 25 64.886 6.244 3.911 1.00 0.00 C ATOM 0 H VAL A 25 61.592 6.481 5.323 1.00 0.00 H new ATOM 0 HA VAL A 25 62.451 4.779 4.255 1.00 0.00 H new ATOM 0 HB VAL A 25 65.074 5.076 5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 25 66.019 3.813 3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 25 64.840 2.867 4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 25 64.366 3.584 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 25 65.944 6.210 3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 25 64.288 6.264 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 25 64.685 7.141 4.497 1.00 0.00 H new ATOM 420 N LYS A 26 62.747 4.085 7.469 1.00 0.00 N ATOM 421 CA LYS A 26 62.532 3.059 8.468 1.00 0.00 C ATOM 422 C LYS A 26 61.326 2.174 8.150 1.00 0.00 C ATOM 423 O LYS A 26 61.383 0.969 8.239 1.00 0.00 O ATOM 424 CB LYS A 26 62.375 3.659 9.863 1.00 0.00 C ATOM 425 CG LYS A 26 61.996 2.629 10.931 1.00 0.00 C ATOM 426 CD LYS A 26 62.674 2.912 12.275 1.00 0.00 C ATOM 427 CE LYS A 26 64.039 2.214 12.399 1.00 0.00 C ATOM 428 NZ LYS A 26 64.083 1.276 13.510 1.00 0.00 N ATOM 0 H LYS A 26 62.835 5.030 7.843 1.00 0.00 H new ATOM 0 HA LYS A 26 63.423 2.432 8.449 1.00 0.00 H new ATOM 0 HB2 LYS A 26 63.309 4.141 10.150 1.00 0.00 H new ATOM 0 HB3 LYS A 26 61.612 4.436 9.832 1.00 0.00 H new ATOM 0 HG2 LYS A 26 60.914 2.628 11.065 1.00 0.00 H new ATOM 0 HG3 LYS A 26 62.275 1.633 10.588 1.00 0.00 H new ATOM 0 HD2 LYS A 26 62.806 3.987 12.393 1.00 0.00 H new ATOM 0 HD3 LYS A 26 62.024 2.580 13.084 1.00 0.00 H new ATOM 0 HE2 LYS A 26 64.259 1.685 11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 26 64.818 2.965 12.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 65.022 0.831 13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 63.900 1.783 14.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 63.359 0.542 13.374 1.00 0.00 H new ATOM 442 N VAL A 27 60.247 2.878 7.754 1.00 0.00 N ATOM 443 CA VAL A 27 59.025 2.196 7.374 1.00 0.00 C ATOM 444 C VAL A 27 59.265 1.176 6.250 1.00 0.00 C ATOM 445 O VAL A 27 58.737 0.088 6.253 1.00 0.00 O ATOM 446 CB VAL A 27 57.976 3.223 6.935 1.00 0.00 C ATOM 447 CG1 VAL A 27 57.705 4.240 8.052 1.00 0.00 C ATOM 448 CG2 VAL A 27 58.377 3.936 5.632 1.00 0.00 C ATOM 0 H VAL A 27 60.209 3.896 7.694 1.00 0.00 H new ATOM 0 HA VAL A 27 58.663 1.647 8.244 1.00 0.00 H new ATOM 0 HB VAL A 27 57.054 2.677 6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 27 56.957 4.958 7.716 1.00 0.00 H new ATOM 0 HG12 VAL A 27 57.337 3.720 8.936 1.00 0.00 H new ATOM 0 HG13 VAL A 27 58.628 4.765 8.298 1.00 0.00 H new ATOM 0 HG21 VAL A 27 57.605 4.655 5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 27 59.323 4.458 5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 27 58.488 3.201 4.835 1.00 0.00 H new ATOM 458 N LEU A 28 60.126 1.611 5.299 1.00 0.00 N ATOM 459 CA LEU A 28 60.471 0.792 4.162 1.00 0.00 C ATOM 460 C LEU A 28 61.140 -0.492 4.593 1.00 0.00 C ATOM 461 O LEU A 28 60.913 -1.557 4.053 1.00 0.00 O ATOM 462 CB LEU A 28 61.488 1.519 3.289 1.00 0.00 C ATOM 463 CG LEU A 28 61.839 0.783 2.019 1.00 0.00 C ATOM 464 CD1 LEU A 28 60.609 0.494 1.182 1.00 0.00 C ATOM 465 CD2 LEU A 28 62.908 1.502 1.215 1.00 0.00 C ATOM 0 H LEU A 28 60.581 2.524 5.316 1.00 0.00 H new ATOM 0 HA LEU A 28 59.543 0.585 3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 28 61.094 2.502 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 28 62.398 1.682 3.867 1.00 0.00 H new ATOM 0 HG LEU A 28 62.262 -0.176 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 28 60.902 -0.037 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 28 59.915 -0.121 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 28 60.124 1.432 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 28 63.127 0.934 0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 28 62.552 2.495 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 28 63.814 1.593 1.814 1.00 0.00 H new ATOM 477 N LYS A 29 62.000 -0.288 5.606 1.00 0.00 N ATOM 478 CA LYS A 29 62.715 -1.396 6.168 1.00 0.00 C ATOM 479 C LYS A 29 61.715 -2.443 6.667 1.00 0.00 C ATOM 480 O LYS A 29 61.898 -3.621 6.476 1.00 0.00 O ATOM 481 CB LYS A 29 63.605 -0.898 7.297 1.00 0.00 C ATOM 482 CG LYS A 29 64.503 0.290 6.936 1.00 0.00 C ATOM 483 CD LYS A 29 65.941 -0.118 6.722 1.00 0.00 C ATOM 484 CE LYS A 29 66.941 1.034 6.736 1.00 0.00 C ATOM 485 NZ LYS A 29 67.982 0.873 7.756 1.00 0.00 N ATOM 0 H LYS A 29 62.199 0.619 6.029 1.00 0.00 H new ATOM 0 HA LYS A 29 63.348 -1.862 5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 29 62.974 -0.615 8.139 1.00 0.00 H new ATOM 0 HB3 LYS A 29 64.235 -1.721 7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 29 64.125 0.766 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 29 64.454 1.034 7.731 1.00 0.00 H new ATOM 0 HD2 LYS A 29 66.220 -0.833 7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 29 66.019 -0.637 5.766 1.00 0.00 H new ATOM 0 HE2 LYS A 29 67.410 1.114 5.755 1.00 0.00 H new ATOM 0 HE3 LYS A 29 66.409 1.969 6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 68.652 1.667 7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 67.544 0.859 8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 68.489 -0.021 7.596 1.00 0.00 H new ATOM 499 N GLU A 30 60.622 -1.924 7.282 1.00 0.00 N ATOM 500 CA GLU A 30 59.585 -2.789 7.815 1.00 0.00 C ATOM 501 C GLU A 30 58.939 -3.649 6.718 1.00 0.00 C ATOM 502 O GLU A 30 58.656 -4.807 6.931 1.00 0.00 O ATOM 503 CB GLU A 30 58.497 -1.978 8.536 1.00 0.00 C ATOM 504 CG GLU A 30 59.066 -1.068 9.636 1.00 0.00 C ATOM 505 CD GLU A 30 58.015 -0.124 10.253 1.00 0.00 C ATOM 506 OE1 GLU A 30 56.837 -0.216 9.906 1.00 0.00 O ATOM 507 OE2 GLU A 30 58.396 0.709 11.074 1.00 0.00 O ATOM 0 H GLU A 30 60.454 -0.926 7.411 1.00 0.00 H new ATOM 0 HA GLU A 30 60.071 -3.450 8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 30 57.961 -1.369 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 30 57.771 -2.662 8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 30 59.495 -1.687 10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 30 59.879 -0.473 9.220 1.00 0.00 H new ATOM 514 N LYS A 31 58.742 -3.001 5.540 1.00 0.00 N ATOM 515 CA LYS A 31 58.112 -3.661 4.407 1.00 0.00 C ATOM 516 C LYS A 31 59.014 -4.722 3.757 1.00 0.00 C ATOM 517 O LYS A 31 58.645 -5.873 3.646 1.00 0.00 O ATOM 518 CB LYS A 31 57.733 -2.634 3.346 1.00 0.00 C ATOM 519 CG LYS A 31 56.300 -2.119 3.472 1.00 0.00 C ATOM 520 CD LYS A 31 56.099 -1.164 4.649 1.00 0.00 C ATOM 521 CE LYS A 31 55.245 0.059 4.294 1.00 0.00 C ATOM 522 NZ LYS A 31 54.199 -0.226 3.319 1.00 0.00 N ATOM 0 H LYS A 31 59.013 -2.033 5.368 1.00 0.00 H new ATOM 0 HA LYS A 31 57.227 -4.163 4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 31 58.420 -1.790 3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 31 57.864 -3.079 2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 31 56.022 -1.610 2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 31 55.625 -2.968 3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 31 55.626 -1.703 5.470 1.00 0.00 H new ATOM 0 HD3 LYS A 31 57.072 -0.828 5.007 1.00 0.00 H new ATOM 0 HE2 LYS A 31 54.787 0.449 5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 31 55.893 0.843 3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 53.411 0.440 3.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 54.583 -0.123 2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 53.856 -1.199 3.452 1.00 0.00 H new ATOM 536 N ILE A 32 60.204 -4.252 3.310 1.00 0.00 N ATOM 537 CA ILE A 32 61.203 -5.107 2.683 1.00 0.00 C ATOM 538 C ILE A 32 61.561 -6.303 3.579 1.00 0.00 C ATOM 539 O ILE A 32 61.744 -7.413 3.122 1.00 0.00 O ATOM 540 CB ILE A 32 62.467 -4.281 2.368 1.00 0.00 C ATOM 541 CG1 ILE A 32 62.196 -3.328 1.211 1.00 0.00 C ATOM 542 CG2 ILE A 32 63.673 -5.147 2.026 1.00 0.00 C ATOM 543 CD1 ILE A 32 63.138 -2.132 1.158 1.00 0.00 C ATOM 0 H ILE A 32 60.483 -3.273 3.380 1.00 0.00 H new ATOM 0 HA ILE A 32 60.784 -5.501 1.757 1.00 0.00 H new ATOM 0 HB ILE A 32 62.706 -3.725 3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 32 62.273 -3.880 0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 32 61.170 -2.966 1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 32 64.531 -4.509 1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 32 63.904 -5.798 2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 32 63.448 -5.755 1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 32 62.879 -1.502 0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 32 63.045 -1.555 2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 32 64.165 -2.482 1.052 1.00 0.00 H new ATOM 555 N GLU A 33 61.649 -5.977 4.885 1.00 0.00 N ATOM 556 CA GLU A 33 61.938 -6.992 5.876 1.00 0.00 C ATOM 557 C GLU A 33 60.738 -7.937 6.046 1.00 0.00 C ATOM 558 O GLU A 33 60.883 -9.107 6.299 1.00 0.00 O ATOM 559 CB GLU A 33 62.294 -6.328 7.210 1.00 0.00 C ATOM 560 CG GLU A 33 62.938 -7.271 8.223 1.00 0.00 C ATOM 561 CD GLU A 33 61.873 -7.939 9.106 1.00 0.00 C ATOM 562 OE1 GLU A 33 61.277 -7.244 9.925 1.00 0.00 O ATOM 563 OE2 GLU A 33 61.652 -9.139 8.984 1.00 0.00 O ATOM 0 H GLU A 33 61.525 -5.035 5.256 1.00 0.00 H new ATOM 0 HA GLU A 33 62.789 -7.583 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 33 62.973 -5.497 7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.389 -5.906 7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 33 63.513 -8.035 7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 33 63.638 -6.716 8.848 1.00 0.00 H new ATOM 570 N ALA A 34 59.528 -7.361 5.870 1.00 0.00 N ATOM 571 CA ALA A 34 58.324 -8.176 5.930 1.00 0.00 C ATOM 572 C ALA A 34 58.213 -9.138 4.733 1.00 0.00 C ATOM 573 O ALA A 34 57.616 -10.196 4.818 1.00 0.00 O ATOM 574 CB ALA A 34 57.074 -7.287 5.997 1.00 0.00 C ATOM 0 H ALA A 34 59.374 -6.369 5.692 1.00 0.00 H new ATOM 0 HA ALA A 34 58.393 -8.777 6.836 1.00 0.00 H new ATOM 0 HB1 ALA A 34 56.184 -7.914 6.041 1.00 0.00 H new ATOM 0 HB2 ALA A 34 57.121 -6.660 6.887 1.00 0.00 H new ATOM 0 HB3 ALA A 34 57.029 -6.655 5.110 1.00 0.00 H new ATOM 580 N GLU A 35 58.829 -8.695 3.615 1.00 0.00 N ATOM 581 CA GLU A 35 58.824 -9.488 2.407 1.00 0.00 C ATOM 582 C GLU A 35 59.777 -10.678 2.575 1.00 0.00 C ATOM 583 O GLU A 35 59.442 -11.807 2.260 1.00 0.00 O ATOM 584 CB GLU A 35 59.225 -8.592 1.235 1.00 0.00 C ATOM 585 CG GLU A 35 59.632 -9.357 -0.036 1.00 0.00 C ATOM 586 CD GLU A 35 60.676 -8.516 -0.731 1.00 0.00 C ATOM 587 OE1 GLU A 35 60.288 -7.605 -1.453 1.00 0.00 O ATOM 588 OE2 GLU A 35 61.857 -8.769 -0.501 1.00 0.00 O ATOM 0 H GLU A 35 59.323 -7.806 3.542 1.00 0.00 H new ATOM 0 HA GLU A 35 57.831 -9.890 2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 35 58.392 -7.931 0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 35 60.056 -7.958 1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 35 60.031 -10.340 0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 35 58.770 -9.518 -0.684 1.00 0.00 H new ATOM 595 N LYS A 36 60.988 -10.336 3.070 1.00 0.00 N ATOM 596 CA LYS A 36 62.036 -11.332 3.176 1.00 0.00 C ATOM 597 C LYS A 36 62.113 -11.913 4.589 1.00 0.00 C ATOM 598 O LYS A 36 61.838 -13.080 4.816 1.00 0.00 O ATOM 599 CB LYS A 36 63.368 -10.725 2.726 1.00 0.00 C ATOM 600 CG LYS A 36 63.985 -11.471 1.528 1.00 0.00 C ATOM 601 CD LYS A 36 63.935 -12.993 1.592 1.00 0.00 C ATOM 602 CE LYS A 36 63.006 -13.526 0.507 1.00 0.00 C ATOM 603 NZ LYS A 36 62.886 -14.966 0.575 1.00 0.00 N ATOM 0 H LYS A 36 61.243 -9.402 3.390 1.00 0.00 H new ATOM 0 HA LYS A 36 61.802 -12.167 2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 36 63.214 -9.680 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 36 64.070 -10.741 3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 36 63.473 -11.148 0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 36 65.027 -11.165 1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 36 64.936 -13.405 1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 36 63.585 -13.313 2.573 1.00 0.00 H new ATOM 0 HE2 LYS A 36 62.021 -13.072 0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 36 63.385 -13.237 -0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 62.247 -15.297 -0.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 63.823 -15.399 0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 62.501 -15.239 1.502 1.00 0.00 H new ATOM 617 N GLY A 37 62.518 -11.020 5.512 1.00 0.00 N ATOM 618 CA GLY A 37 62.613 -11.377 6.915 1.00 0.00 C ATOM 619 C GLY A 37 63.821 -10.682 7.535 1.00 0.00 C ATOM 620 O GLY A 37 64.579 -9.997 6.875 1.00 0.00 O ATOM 0 H GLY A 37 62.780 -10.057 5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 37 61.703 -11.084 7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 37 62.708 -12.458 7.021 1.00 0.00 H new ATOM 624 N ARG A 38 63.943 -10.925 8.865 1.00 0.00 N ATOM 625 CA ARG A 38 65.054 -10.372 9.622 1.00 0.00 C ATOM 626 C ARG A 38 66.379 -11.099 9.317 1.00 0.00 C ATOM 627 O ARG A 38 67.442 -10.687 9.744 1.00 0.00 O ATOM 628 CB ARG A 38 64.778 -10.446 11.134 1.00 0.00 C ATOM 629 CG ARG A 38 63.592 -9.580 11.582 1.00 0.00 C ATOM 630 CD ARG A 38 63.820 -8.883 12.927 1.00 0.00 C ATOM 631 NE ARG A 38 64.312 -9.816 13.929 1.00 0.00 N ATOM 632 CZ ARG A 38 63.496 -10.577 14.687 1.00 0.00 C ATOM 633 NH1 ARG A 38 62.173 -10.504 14.564 1.00 0.00 N ATOM 634 NH2 ARG A 38 64.029 -11.414 15.571 1.00 0.00 N ATOM 0 H ARG A 38 63.292 -11.490 9.410 1.00 0.00 H new ATOM 0 HA ARG A 38 65.152 -9.330 9.316 1.00 0.00 H new ATOM 0 HB2 ARG A 38 64.586 -11.483 11.410 1.00 0.00 H new ATOM 0 HB3 ARG A 38 65.671 -10.133 11.674 1.00 0.00 H new ATOM 0 HG2 ARG A 38 63.394 -8.826 10.820 1.00 0.00 H new ATOM 0 HG3 ARG A 38 62.702 -10.205 11.652 1.00 0.00 H new ATOM 0 HD2 ARG A 38 64.535 -8.070 12.801 1.00 0.00 H new ATOM 0 HD3 ARG A 38 62.887 -8.436 13.270 1.00 0.00 H new ATOM 0 HE ARG A 38 65.320 -9.898 14.064 1.00 0.00 H new ATOM 0 HH11 ARG A 38 61.758 -9.864 13.887 1.00 0.00 H new ATOM 0 HH12 ARG A 38 61.574 -11.088 15.147 1.00 0.00 H new ATOM 0 HH21 ARG A 38 65.042 -11.475 15.669 1.00 0.00 H new ATOM 0 HH22 ARG A 38 63.425 -11.996 16.151 1.00 0.00 H new ATOM 648 N ASP A 39 66.242 -12.210 8.556 1.00 0.00 N ATOM 649 CA ASP A 39 67.385 -13.017 8.175 1.00 0.00 C ATOM 650 C ASP A 39 67.960 -12.536 6.842 1.00 0.00 C ATOM 651 O ASP A 39 69.158 -12.547 6.625 1.00 0.00 O ATOM 652 CB ASP A 39 66.951 -14.494 8.086 1.00 0.00 C ATOM 653 CG ASP A 39 67.641 -15.340 9.171 1.00 0.00 C ATOM 654 OD1 ASP A 39 67.544 -14.985 10.346 1.00 0.00 O ATOM 655 OD2 ASP A 39 68.272 -16.339 8.829 1.00 0.00 O ATOM 0 H ASP A 39 65.348 -12.552 8.204 1.00 0.00 H new ATOM 0 HA ASP A 39 68.168 -12.919 8.927 1.00 0.00 H new ATOM 0 HB2 ASP A 39 65.869 -14.566 8.198 1.00 0.00 H new ATOM 0 HB3 ASP A 39 67.197 -14.890 7.101 1.00 0.00 H new ATOM 660 N ALA A 40 67.019 -12.119 5.966 1.00 0.00 N ATOM 661 CA ALA A 40 67.438 -11.658 4.660 1.00 0.00 C ATOM 662 C ALA A 40 67.895 -10.197 4.759 1.00 0.00 C ATOM 663 O ALA A 40 69.043 -9.880 4.500 1.00 0.00 O ATOM 664 CB ALA A 40 66.311 -11.860 3.654 1.00 0.00 C ATOM 0 H ALA A 40 66.015 -12.098 6.143 1.00 0.00 H new ATOM 0 HA ALA A 40 68.287 -12.240 4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.632 -11.511 2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 40 66.059 -12.919 3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 40 65.435 -11.295 3.971 1.00 0.00 H new ATOM 670 N PHE A 41 66.913 -9.338 5.140 1.00 0.00 N ATOM 671 CA PHE A 41 67.154 -7.903 5.228 1.00 0.00 C ATOM 672 C PHE A 41 66.538 -7.387 6.542 1.00 0.00 C ATOM 673 O PHE A 41 65.419 -6.888 6.558 1.00 0.00 O ATOM 674 CB PHE A 41 66.564 -7.130 4.033 1.00 0.00 C ATOM 675 CG PHE A 41 66.534 -7.895 2.755 1.00 0.00 C ATOM 676 CD1 PHE A 41 67.693 -8.439 2.215 1.00 0.00 C ATOM 677 CD2 PHE A 41 65.322 -8.080 2.114 1.00 0.00 C ATOM 678 CE1 PHE A 41 67.622 -9.229 1.085 1.00 0.00 C ATOM 679 CE2 PHE A 41 65.257 -8.808 0.953 1.00 0.00 C ATOM 680 CZ PHE A 41 66.399 -9.412 0.468 1.00 0.00 C ATOM 0 H PHE A 41 65.965 -9.625 5.385 1.00 0.00 H new ATOM 0 HA PHE A 41 68.231 -7.735 5.209 1.00 0.00 H new ATOM 0 HB2 PHE A 41 65.548 -6.823 4.281 1.00 0.00 H new ATOM 0 HB3 PHE A 41 67.145 -6.220 3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 41 68.649 -8.244 2.679 1.00 0.00 H new ATOM 0 HD2 PHE A 41 64.423 -7.649 2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 41 68.510 -9.698 0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 41 64.321 -8.907 0.424 1.00 0.00 H new ATOM 0 HZ PHE A 41 66.336 -10.039 -0.409 1.00 0.00 H new ATOM 690 N PRO A 42 67.299 -7.505 7.661 1.00 0.00 N ATOM 691 CA PRO A 42 66.862 -6.944 8.936 1.00 0.00 C ATOM 692 C PRO A 42 66.980 -5.426 8.873 1.00 0.00 C ATOM 693 O PRO A 42 68.035 -4.908 8.548 1.00 0.00 O ATOM 694 CB PRO A 42 67.871 -7.485 9.952 1.00 0.00 C ATOM 695 CG PRO A 42 69.124 -7.804 9.129 1.00 0.00 C ATOM 696 CD PRO A 42 68.607 -8.153 7.732 1.00 0.00 C ATOM 0 HA PRO A 42 65.832 -7.201 9.185 1.00 0.00 H new ATOM 0 HB2 PRO A 42 68.084 -6.749 10.728 1.00 0.00 H new ATOM 0 HB3 PRO A 42 67.490 -8.375 10.453 1.00 0.00 H new ATOM 0 HG2 PRO A 42 69.802 -6.951 9.097 1.00 0.00 H new ATOM 0 HG3 PRO A 42 69.679 -8.636 9.563 1.00 0.00 H new ATOM 0 HD2 PRO A 42 69.277 -7.784 6.956 1.00 0.00 H new ATOM 0 HD3 PRO A 42 68.525 -9.231 7.596 1.00 0.00 H new ATOM 704 N VAL A 43 65.837 -4.753 9.181 1.00 0.00 N ATOM 705 CA VAL A 43 65.733 -3.292 9.168 1.00 0.00 C ATOM 706 C VAL A 43 66.948 -2.547 9.756 1.00 0.00 C ATOM 707 O VAL A 43 67.298 -1.453 9.369 1.00 0.00 O ATOM 708 CB VAL A 43 64.450 -2.831 9.885 1.00 0.00 C ATOM 709 CG1 VAL A 43 63.195 -3.430 9.246 1.00 0.00 C ATOM 710 CG2 VAL A 43 64.465 -3.136 11.381 1.00 0.00 C ATOM 0 H VAL A 43 64.970 -5.221 9.443 1.00 0.00 H new ATOM 0 HA VAL A 43 65.701 -3.027 8.111 1.00 0.00 H new ATOM 0 HB VAL A 43 64.422 -1.748 9.767 1.00 0.00 H new ATOM 0 HG11 VAL A 43 62.312 -3.080 9.781 1.00 0.00 H new ATOM 0 HG12 VAL A 43 63.134 -3.119 8.203 1.00 0.00 H new ATOM 0 HG13 VAL A 43 63.244 -4.518 9.298 1.00 0.00 H new ATOM 0 HG21 VAL A 43 63.536 -2.789 11.832 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.562 -4.211 11.532 1.00 0.00 H new ATOM 0 HG23 VAL A 43 65.308 -2.626 11.848 1.00 0.00 H new ATOM 720 N ALA A 44 67.578 -3.243 10.728 1.00 0.00 N ATOM 721 CA ALA A 44 68.774 -2.747 11.357 1.00 0.00 C ATOM 722 C ALA A 44 69.880 -2.438 10.319 1.00 0.00 C ATOM 723 O ALA A 44 70.307 -1.308 10.168 1.00 0.00 O ATOM 724 CB ALA A 44 69.229 -3.761 12.417 1.00 0.00 C ATOM 0 H ALA A 44 67.261 -4.147 11.078 1.00 0.00 H new ATOM 0 HA ALA A 44 68.562 -1.798 11.849 1.00 0.00 H new ATOM 0 HB1 ALA A 44 70.135 -3.398 12.902 1.00 0.00 H new ATOM 0 HB2 ALA A 44 68.443 -3.886 13.162 1.00 0.00 H new ATOM 0 HB3 ALA A 44 69.432 -4.720 11.940 1.00 0.00 H new ATOM 730 N GLY A 45 70.291 -3.520 9.614 1.00 0.00 N ATOM 731 CA GLY A 45 71.353 -3.402 8.627 1.00 0.00 C ATOM 732 C GLY A 45 70.837 -3.254 7.194 1.00 0.00 C ATOM 733 O GLY A 45 71.585 -3.429 6.249 1.00 0.00 O ATOM 0 H GLY A 45 69.904 -4.458 9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 45 71.973 -2.540 8.873 1.00 0.00 H new ATOM 0 HA3 GLY A 45 71.993 -4.282 8.686 1.00 0.00 H new ATOM 737 N GLN A 46 69.527 -2.926 7.076 1.00 0.00 N ATOM 738 CA GLN A 46 68.931 -2.774 5.762 1.00 0.00 C ATOM 739 C GLN A 46 69.361 -1.441 5.143 1.00 0.00 C ATOM 740 O GLN A 46 68.621 -0.488 5.139 1.00 0.00 O ATOM 741 CB GLN A 46 67.411 -2.821 5.859 1.00 0.00 C ATOM 742 CG GLN A 46 66.786 -4.213 5.804 1.00 0.00 C ATOM 743 CD GLN A 46 65.732 -4.248 4.698 1.00 0.00 C ATOM 744 OE1 GLN A 46 66.022 -3.969 3.554 1.00 0.00 O ATOM 745 NE2 GLN A 46 64.513 -4.615 5.121 1.00 0.00 N ATOM 0 H GLN A 46 68.894 -2.769 7.860 1.00 0.00 H new ATOM 0 HA GLN A 46 69.273 -3.595 5.131 1.00 0.00 H new ATOM 0 HB2 GLN A 46 67.110 -2.345 6.792 1.00 0.00 H new ATOM 0 HB3 GLN A 46 66.995 -2.224 5.048 1.00 0.00 H new ATOM 0 HG2 GLN A 46 67.554 -4.962 5.614 1.00 0.00 H new ATOM 0 HG3 GLN A 46 66.331 -4.459 6.764 1.00 0.00 H new ATOM 0 HE21 GLN A 46 64.359 -4.832 6.106 1.00 0.00 H new ATOM 0 HE22 GLN A 46 63.740 -4.677 4.458 1.00 0.00 H new ATOM 754 N LYS A 47 70.589 -1.423 4.609 1.00 0.00 N ATOM 755 CA LYS A 47 71.068 -0.220 3.967 1.00 0.00 C ATOM 756 C LYS A 47 70.557 -0.183 2.527 1.00 0.00 C ATOM 757 O LYS A 47 70.359 -1.215 1.920 1.00 0.00 O ATOM 758 CB LYS A 47 72.588 -0.223 3.978 1.00 0.00 C ATOM 759 CG LYS A 47 73.188 -0.058 5.379 1.00 0.00 C ATOM 760 CD LYS A 47 74.422 0.855 5.347 1.00 0.00 C ATOM 761 CE LYS A 47 75.543 0.409 6.270 1.00 0.00 C ATOM 762 NZ LYS A 47 75.229 0.607 7.672 1.00 0.00 N ATOM 0 H LYS A 47 71.241 -2.207 4.613 1.00 0.00 H new ATOM 0 HA LYS A 47 70.705 0.659 4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 47 72.945 -1.158 3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 47 72.950 0.582 3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 47 72.439 0.360 6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 47 73.464 -1.034 5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 47 74.802 0.900 4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 47 74.121 1.866 5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 47 75.753 -0.646 6.095 1.00 0.00 H new ATOM 0 HE3 LYS A 47 76.451 0.960 6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 76.028 0.286 8.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 75.055 1.617 7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 74.379 0.060 7.918 1.00 0.00 H new ATOM 776 N LEU A 48 70.350 1.059 2.041 1.00 0.00 N ATOM 777 CA LEU A 48 69.828 1.287 0.700 1.00 0.00 C ATOM 778 C LEU A 48 70.773 2.249 -0.034 1.00 0.00 C ATOM 779 O LEU A 48 71.315 3.135 0.598 1.00 0.00 O ATOM 780 CB LEU A 48 68.409 1.835 0.810 1.00 0.00 C ATOM 781 CG LEU A 48 67.380 0.767 1.203 1.00 0.00 C ATOM 782 CD1 LEU A 48 67.284 0.637 2.730 1.00 0.00 C ATOM 783 CD2 LEU A 48 66.005 1.051 0.618 1.00 0.00 C ATOM 0 H LEU A 48 70.540 1.912 2.567 1.00 0.00 H new ATOM 0 HA LEU A 48 69.780 0.362 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.392 2.637 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 48 68.121 2.275 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 48 67.730 -0.177 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.548 -0.126 2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.256 0.353 3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 48 66.979 1.592 3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.311 0.268 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.647 2.015 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 48 66.070 1.074 -0.470 1.00 0.00 H new ATOM 795 N ILE A 49 70.994 2.021 -1.365 1.00 0.00 N ATOM 796 CA ILE A 49 71.957 2.846 -2.114 1.00 0.00 C ATOM 797 C ILE A 49 71.311 3.536 -3.321 1.00 0.00 C ATOM 798 O ILE A 49 70.905 2.878 -4.267 1.00 0.00 O ATOM 799 CB ILE A 49 73.177 2.055 -2.655 1.00 0.00 C ATOM 800 CG1 ILE A 49 73.595 0.871 -1.782 1.00 0.00 C ATOM 801 CG2 ILE A 49 74.384 2.947 -2.954 1.00 0.00 C ATOM 802 CD1 ILE A 49 73.603 1.156 -0.300 1.00 0.00 C ATOM 0 H ILE A 49 70.530 1.296 -1.913 1.00 0.00 H new ATOM 0 HA ILE A 49 72.296 3.574 -1.377 1.00 0.00 H new ATOM 0 HB ILE A 49 72.818 1.641 -3.597 1.00 0.00 H new ATOM 0 HG12 ILE A 49 72.919 0.038 -1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 49 74.592 0.549 -2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 49 75.204 2.335 -3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.111 3.688 -3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 49 74.697 3.454 -2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 49 73.911 0.261 0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 49 74.301 1.966 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 49 72.602 1.447 0.020 1.00 0.00 H new ATOM 814 N TYR A 50 71.252 4.887 -3.242 1.00 0.00 N ATOM 815 CA TYR A 50 70.636 5.672 -4.304 1.00 0.00 C ATOM 816 C TYR A 50 71.674 6.640 -4.860 1.00 0.00 C ATOM 817 O TYR A 50 72.160 7.501 -4.152 1.00 0.00 O ATOM 818 CB TYR A 50 69.442 6.475 -3.761 1.00 0.00 C ATOM 819 CG TYR A 50 68.478 6.800 -4.872 1.00 0.00 C ATOM 820 CD1 TYR A 50 67.511 5.888 -5.296 1.00 0.00 C ATOM 821 CD2 TYR A 50 68.544 8.034 -5.500 1.00 0.00 C ATOM 822 CE1 TYR A 50 66.633 6.198 -6.321 1.00 0.00 C ATOM 823 CE2 TYR A 50 67.648 8.364 -6.504 1.00 0.00 C ATOM 824 CZ TYR A 50 66.700 7.446 -6.919 1.00 0.00 C ATOM 825 OH TYR A 50 65.819 7.793 -7.917 1.00 0.00 O ATOM 0 H TYR A 50 71.620 5.435 -2.464 1.00 0.00 H new ATOM 0 HA TYR A 50 70.280 4.999 -5.084 1.00 0.00 H new ATOM 0 HB2 TYR A 50 68.933 5.902 -2.986 1.00 0.00 H new ATOM 0 HB3 TYR A 50 69.796 7.396 -3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 50 67.446 4.923 -4.816 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.301 8.745 -5.204 1.00 0.00 H new ATOM 0 HE1 TYR A 50 65.903 5.474 -6.651 1.00 0.00 H new ATOM 0 HE2 TYR A 50 67.690 9.340 -6.964 1.00 0.00 H new ATOM 0 HH TYR A 50 65.245 8.524 -7.607 1.00 0.00 H new ATOM 835 N ALA A 51 71.967 6.455 -6.170 1.00 0.00 N ATOM 836 CA ALA A 51 72.916 7.327 -6.854 1.00 0.00 C ATOM 837 C ALA A 51 74.351 7.154 -6.305 1.00 0.00 C ATOM 838 O ALA A 51 75.135 8.087 -6.254 1.00 0.00 O ATOM 839 CB ALA A 51 72.449 8.804 -6.817 1.00 0.00 C ATOM 0 H ALA A 51 71.563 5.722 -6.753 1.00 0.00 H new ATOM 0 HA ALA A 51 72.945 7.026 -7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 51 73.177 9.429 -7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 51 71.480 8.892 -7.309 1.00 0.00 H new ATOM 0 HB3 ALA A 51 72.361 9.132 -5.781 1.00 0.00 H new ATOM 845 N GLY A 52 74.637 5.896 -5.882 1.00 0.00 N ATOM 846 CA GLY A 52 75.944 5.600 -5.310 1.00 0.00 C ATOM 847 C GLY A 52 76.075 5.995 -3.822 1.00 0.00 C ATOM 848 O GLY A 52 77.048 5.655 -3.170 1.00 0.00 O ATOM 0 H GLY A 52 73.994 5.105 -5.930 1.00 0.00 H new ATOM 0 HA2 GLY A 52 76.142 4.533 -5.412 1.00 0.00 H new ATOM 0 HA3 GLY A 52 76.709 6.123 -5.884 1.00 0.00 H new ATOM 852 N LYS A 53 75.045 6.727 -3.323 1.00 0.00 N ATOM 853 CA LYS A 53 74.993 7.178 -1.937 1.00 0.00 C ATOM 854 C LYS A 53 74.271 6.132 -1.098 1.00 0.00 C ATOM 855 O LYS A 53 73.633 5.265 -1.650 1.00 0.00 O ATOM 856 CB LYS A 53 74.204 8.495 -1.857 1.00 0.00 C ATOM 857 CG LYS A 53 75.099 9.724 -1.723 1.00 0.00 C ATOM 858 CD LYS A 53 74.955 10.695 -2.903 1.00 0.00 C ATOM 859 CE LYS A 53 76.319 11.194 -3.371 1.00 0.00 C ATOM 860 NZ LYS A 53 76.978 12.016 -2.368 1.00 0.00 N ATOM 0 H LYS A 53 74.239 7.012 -3.879 1.00 0.00 H new ATOM 0 HA LYS A 53 76.007 7.327 -1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 53 73.588 8.597 -2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 53 73.525 8.453 -1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 53 74.856 10.246 -0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 53 76.138 9.405 -1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 53 74.443 10.198 -3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 53 74.336 11.542 -2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 53 76.953 10.341 -3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 53 76.198 11.770 -4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 77.877 12.374 -2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 76.364 12.818 -2.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 77.164 11.445 -1.519 1.00 0.00 H new ATOM 874 N ILE A 54 74.387 6.273 0.241 1.00 0.00 N ATOM 875 CA ILE A 54 73.780 5.344 1.193 1.00 0.00 C ATOM 876 C ILE A 54 72.736 6.083 2.027 1.00 0.00 C ATOM 877 O ILE A 54 72.863 7.264 2.284 1.00 0.00 O ATOM 878 CB ILE A 54 74.873 4.745 2.111 1.00 0.00 C ATOM 879 CG1 ILE A 54 75.194 3.306 1.697 1.00 0.00 C ATOM 880 CG2 ILE A 54 74.578 4.831 3.631 1.00 0.00 C ATOM 881 CD1 ILE A 54 74.196 2.316 2.297 1.00 0.00 C ATOM 0 H ILE A 54 74.904 7.034 0.681 1.00 0.00 H new ATOM 0 HA ILE A 54 73.295 4.532 0.652 1.00 0.00 H new ATOM 0 HB ILE A 54 75.748 5.378 1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 54 75.178 3.227 0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 54 76.203 3.049 2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 54 75.402 4.385 4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 54 74.467 5.876 3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 54 73.657 4.293 3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 54 74.453 1.304 1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 54 74.231 2.378 3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 54 73.191 2.558 1.952 1.00 0.00 H new ATOM 893 N LEU A 55 71.739 5.284 2.473 1.00 0.00 N ATOM 894 CA LEU A 55 70.632 5.759 3.273 1.00 0.00 C ATOM 895 C LEU A 55 70.250 4.686 4.308 1.00 0.00 C ATOM 896 O LEU A 55 70.202 3.499 4.013 1.00 0.00 O ATOM 897 CB LEU A 55 69.424 6.087 2.379 1.00 0.00 C ATOM 898 CG LEU A 55 69.178 5.142 1.207 1.00 0.00 C ATOM 899 CD1 LEU A 55 67.685 5.105 0.868 1.00 0.00 C ATOM 900 CD2 LEU A 55 69.979 5.502 -0.059 1.00 0.00 C ATOM 0 H LEU A 55 71.698 4.284 2.275 1.00 0.00 H new ATOM 0 HA LEU A 55 70.932 6.670 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.530 6.100 3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.553 7.095 1.985 1.00 0.00 H new ATOM 0 HG LEU A 55 69.526 4.161 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 55 67.519 4.428 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.124 4.755 1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.348 6.106 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 55 69.752 4.786 -0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 55 69.707 6.505 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 55 71.045 5.470 0.164 1.00 0.00 H new ATOM 912 N SER A 56 69.982 5.200 5.527 1.00 0.00 N ATOM 913 CA SER A 56 69.569 4.391 6.671 1.00 0.00 C ATOM 914 C SER A 56 68.086 4.661 6.970 1.00 0.00 C ATOM 915 O SER A 56 67.449 5.523 6.395 1.00 0.00 O ATOM 916 CB SER A 56 70.481 4.731 7.868 1.00 0.00 C ATOM 917 OG SER A 56 69.976 4.352 9.127 1.00 0.00 O ATOM 0 H SER A 56 70.049 6.196 5.736 1.00 0.00 H new ATOM 0 HA SER A 56 69.671 3.326 6.461 1.00 0.00 H new ATOM 0 HB2 SER A 56 71.446 4.246 7.719 1.00 0.00 H new ATOM 0 HB3 SER A 56 70.662 5.806 7.874 1.00 0.00 H new ATOM 0 HG SER A 56 70.616 4.603 9.825 1.00 0.00 H new ATOM 923 N ASP A 57 67.586 3.856 7.928 1.00 0.00 N ATOM 924 CA ASP A 57 66.218 3.932 8.411 1.00 0.00 C ATOM 925 C ASP A 57 65.860 5.273 9.072 1.00 0.00 C ATOM 926 O ASP A 57 64.704 5.551 9.309 1.00 0.00 O ATOM 927 CB ASP A 57 65.954 2.792 9.417 1.00 0.00 C ATOM 928 CG ASP A 57 66.970 2.666 10.569 1.00 0.00 C ATOM 929 OD1 ASP A 57 67.642 3.640 10.902 1.00 0.00 O ATOM 930 OD2 ASP A 57 67.070 1.575 11.129 1.00 0.00 O ATOM 0 H ASP A 57 68.138 3.130 8.385 1.00 0.00 H new ATOM 0 HA ASP A 57 65.585 3.836 7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 57 64.962 2.934 9.846 1.00 0.00 H new ATOM 0 HB3 ASP A 57 65.933 1.849 8.871 1.00 0.00 H new ATOM 935 N ASP A 58 66.892 6.091 9.369 1.00 0.00 N ATOM 936 CA ASP A 58 66.619 7.364 10.015 1.00 0.00 C ATOM 937 C ASP A 58 66.671 8.540 9.026 1.00 0.00 C ATOM 938 O ASP A 58 66.349 9.660 9.381 1.00 0.00 O ATOM 939 CB ASP A 58 67.632 7.589 11.147 1.00 0.00 C ATOM 940 CG ASP A 58 67.166 8.635 12.188 1.00 0.00 C ATOM 941 OD1 ASP A 58 65.999 9.030 12.181 1.00 0.00 O ATOM 942 OD2 ASP A 58 67.988 9.044 13.006 1.00 0.00 O ATOM 0 H ASP A 58 67.874 5.894 9.177 1.00 0.00 H new ATOM 0 HA ASP A 58 65.607 7.323 10.418 1.00 0.00 H new ATOM 0 HB2 ASP A 58 67.817 6.641 11.653 1.00 0.00 H new ATOM 0 HB3 ASP A 58 68.580 7.912 10.717 1.00 0.00 H new ATOM 947 N VAL A 59 67.109 8.240 7.779 1.00 0.00 N ATOM 948 CA VAL A 59 67.251 9.294 6.781 1.00 0.00 C ATOM 949 C VAL A 59 65.956 9.382 5.961 1.00 0.00 C ATOM 950 O VAL A 59 65.285 8.382 5.814 1.00 0.00 O ATOM 951 CB VAL A 59 68.439 9.004 5.847 1.00 0.00 C ATOM 952 CG1 VAL A 59 69.625 8.387 6.596 1.00 0.00 C ATOM 953 CG2 VAL A 59 68.068 8.117 4.657 1.00 0.00 C ATOM 0 H VAL A 59 67.359 7.304 7.460 1.00 0.00 H new ATOM 0 HA VAL A 59 67.438 10.241 7.288 1.00 0.00 H new ATOM 0 HB VAL A 59 68.734 9.978 5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 59 70.440 8.200 5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 59 69.963 9.075 7.371 1.00 0.00 H new ATOM 0 HG13 VAL A 59 69.317 7.447 7.054 1.00 0.00 H new ATOM 0 HG21 VAL A 59 68.950 7.951 4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 59 67.694 7.160 5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 59 67.296 8.608 4.064 1.00 0.00 H new ATOM 963 N PRO A 60 65.623 10.561 5.385 1.00 0.00 N ATOM 964 CA PRO A 60 64.410 10.722 4.584 1.00 0.00 C ATOM 965 C PRO A 60 64.578 10.120 3.173 1.00 0.00 C ATOM 966 O PRO A 60 65.596 10.296 2.542 1.00 0.00 O ATOM 967 CB PRO A 60 64.186 12.241 4.532 1.00 0.00 C ATOM 968 CG PRO A 60 65.355 12.872 5.303 1.00 0.00 C ATOM 969 CD PRO A 60 66.408 11.782 5.470 1.00 0.00 C ATOM 0 HA PRO A 60 63.558 10.197 5.015 1.00 0.00 H new ATOM 0 HB2 PRO A 60 64.162 12.596 3.502 1.00 0.00 H new ATOM 0 HB3 PRO A 60 63.231 12.510 4.984 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.763 13.724 4.759 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.024 13.242 6.273 1.00 0.00 H new ATOM 0 HD2 PRO A 60 67.167 11.830 4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 60 66.927 11.864 6.425 1.00 0.00 H new ATOM 977 N ILE A 61 63.535 9.395 2.711 1.00 0.00 N ATOM 978 CA ILE A 61 63.551 8.872 1.342 1.00 0.00 C ATOM 979 C ILE A 61 63.666 10.012 0.305 1.00 0.00 C ATOM 980 O ILE A 61 64.276 9.873 -0.738 1.00 0.00 O ATOM 981 CB ILE A 61 62.274 8.054 1.099 1.00 0.00 C ATOM 982 CG1 ILE A 61 62.256 6.800 1.969 1.00 0.00 C ATOM 983 CG2 ILE A 61 62.028 7.688 -0.382 1.00 0.00 C ATOM 984 CD1 ILE A 61 62.957 5.593 1.323 1.00 0.00 C ATOM 0 H ILE A 61 62.700 9.168 3.252 1.00 0.00 H new ATOM 0 HA ILE A 61 64.425 8.232 1.223 1.00 0.00 H new ATOM 0 HB ILE A 61 61.451 8.709 1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.737 7.022 2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 61 61.222 6.535 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.107 7.111 -0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 61 61.940 8.600 -0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 61 62.863 7.094 -0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 61 62.905 4.738 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.462 5.345 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.001 5.839 1.129 1.00 0.00 H new ATOM 996 N ARG A 62 63.044 11.151 0.671 1.00 0.00 N ATOM 997 CA ARG A 62 63.046 12.319 -0.191 1.00 0.00 C ATOM 998 C ARG A 62 64.465 12.885 -0.332 1.00 0.00 C ATOM 999 O ARG A 62 64.825 13.429 -1.363 1.00 0.00 O ATOM 1000 CB ARG A 62 62.058 13.378 0.337 1.00 0.00 C ATOM 1001 CG ARG A 62 62.468 14.839 0.117 1.00 0.00 C ATOM 1002 CD ARG A 62 61.283 15.767 -0.101 1.00 0.00 C ATOM 1003 NE ARG A 62 61.706 16.823 -1.008 1.00 0.00 N ATOM 1004 CZ ARG A 62 61.023 17.971 -1.145 1.00 0.00 C ATOM 1005 NH1 ARG A 62 59.934 18.200 -0.418 1.00 0.00 N ATOM 1006 NH2 ARG A 62 61.446 18.879 -2.017 1.00 0.00 N ATOM 0 H ARG A 62 62.543 11.273 1.551 1.00 0.00 H new ATOM 0 HA ARG A 62 62.713 12.023 -1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 62 61.091 13.216 -0.140 1.00 0.00 H new ATOM 0 HB3 ARG A 62 61.918 13.216 1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 62 63.037 15.184 0.980 1.00 0.00 H new ATOM 0 HG3 ARG A 62 63.131 14.898 -0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 62 60.440 15.218 -0.521 1.00 0.00 H new ATOM 0 HD3 ARG A 62 60.949 16.189 0.847 1.00 0.00 H new ATOM 0 HE ARG A 62 62.553 16.686 -1.560 1.00 0.00 H new ATOM 0 HH11 ARG A 62 59.611 17.501 0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 62 59.422 19.075 -0.529 1.00 0.00 H new ATOM 0 HH21 ARG A 62 62.282 18.701 -2.574 1.00 0.00 H new ATOM 0 HH22 ARG A 62 60.935 19.755 -2.130 1.00 0.00 H new ATOM 1020 N ASP A 63 65.239 12.716 0.765 1.00 0.00 N ATOM 1021 CA ASP A 63 66.619 13.182 0.762 1.00 0.00 C ATOM 1022 C ASP A 63 67.434 12.504 -0.360 1.00 0.00 C ATOM 1023 O ASP A 63 68.379 13.071 -0.879 1.00 0.00 O ATOM 1024 CB ASP A 63 67.245 12.943 2.147 1.00 0.00 C ATOM 1025 CG ASP A 63 68.740 13.310 2.233 1.00 0.00 C ATOM 1026 OD1 ASP A 63 69.568 12.542 1.745 1.00 0.00 O ATOM 1027 OD2 ASP A 63 69.064 14.354 2.793 1.00 0.00 O ATOM 0 H ASP A 63 64.932 12.273 1.631 1.00 0.00 H new ATOM 0 HA ASP A 63 66.634 14.252 0.557 1.00 0.00 H new ATOM 0 HB2 ASP A 63 66.696 13.525 2.887 1.00 0.00 H new ATOM 0 HB3 ASP A 63 67.124 11.893 2.413 1.00 0.00 H new ATOM 1032 N TYR A 64 66.994 11.266 -0.691 1.00 0.00 N ATOM 1033 CA TYR A 64 67.667 10.476 -1.707 1.00 0.00 C ATOM 1034 C TYR A 64 66.817 10.342 -2.970 1.00 0.00 C ATOM 1035 O TYR A 64 67.067 9.466 -3.767 1.00 0.00 O ATOM 1036 CB TYR A 64 67.983 9.080 -1.148 1.00 0.00 C ATOM 1037 CG TYR A 64 68.994 9.176 -0.045 1.00 0.00 C ATOM 1038 CD1 TYR A 64 68.585 9.482 1.246 1.00 0.00 C ATOM 1039 CD2 TYR A 64 70.347 8.976 -0.295 1.00 0.00 C ATOM 1040 CE1 TYR A 64 69.513 9.617 2.266 1.00 0.00 C ATOM 1041 CE2 TYR A 64 71.268 9.082 0.734 1.00 0.00 C ATOM 1042 CZ TYR A 64 70.854 9.405 2.017 1.00 0.00 C ATOM 1043 OH TYR A 64 71.758 9.508 3.054 1.00 0.00 O ATOM 0 H TYR A 64 66.185 10.812 -0.266 1.00 0.00 H new ATOM 0 HA TYR A 64 68.590 10.989 -1.976 1.00 0.00 H new ATOM 0 HB2 TYR A 64 67.070 8.616 -0.774 1.00 0.00 H new ATOM 0 HB3 TYR A 64 68.363 8.440 -1.944 1.00 0.00 H new ATOM 0 HD1 TYR A 64 67.534 9.616 1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 64 70.681 8.737 -1.294 1.00 0.00 H new ATOM 0 HE1 TYR A 64 69.186 9.889 3.259 1.00 0.00 H new ATOM 0 HE2 TYR A 64 72.316 8.912 0.535 1.00 0.00 H new ATOM 0 HH TYR A 64 72.272 8.676 3.124 1.00 0.00 H new ATOM 1053 N ARG A 65 65.803 11.229 -3.123 1.00 0.00 N ATOM 1054 CA ARG A 65 64.922 11.270 -4.289 1.00 0.00 C ATOM 1055 C ARG A 65 64.609 9.881 -4.904 1.00 0.00 C ATOM 1056 O ARG A 65 64.871 9.636 -6.064 1.00 0.00 O ATOM 1057 CB ARG A 65 65.536 12.186 -5.366 1.00 0.00 C ATOM 1058 CG ARG A 65 64.539 12.578 -6.467 1.00 0.00 C ATOM 1059 CD ARG A 65 63.407 13.453 -5.922 1.00 0.00 C ATOM 1060 NE ARG A 65 63.097 14.513 -6.868 1.00 0.00 N ATOM 1061 CZ ARG A 65 62.208 15.486 -6.576 1.00 0.00 C ATOM 1062 NH1 ARG A 65 61.555 15.493 -5.417 1.00 0.00 N ATOM 1063 NH2 ARG A 65 61.987 16.451 -7.462 1.00 0.00 N ATOM 0 H ARG A 65 65.582 11.939 -2.425 1.00 0.00 H new ATOM 0 HA ARG A 65 63.969 11.663 -3.934 1.00 0.00 H new ATOM 0 HB2 ARG A 65 65.917 13.090 -4.891 1.00 0.00 H new ATOM 0 HB3 ARG A 65 66.389 11.681 -5.820 1.00 0.00 H new ATOM 0 HG2 ARG A 65 65.063 13.113 -7.259 1.00 0.00 H new ATOM 0 HG3 ARG A 65 64.119 11.677 -6.915 1.00 0.00 H new ATOM 0 HD2 ARG A 65 62.521 12.845 -5.742 1.00 0.00 H new ATOM 0 HD3 ARG A 65 63.698 13.883 -4.964 1.00 0.00 H new ATOM 0 HE ARG A 65 63.563 14.522 -7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 65 61.723 14.755 -4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 65 60.887 16.236 -5.213 1.00 0.00 H new ATOM 0 HH21 ARG A 65 62.487 16.451 -8.351 1.00 0.00 H new ATOM 0 HH22 ARG A 65 61.318 17.192 -7.253 1.00 0.00 H new ATOM 1077 N ILE A 66 64.065 8.992 -4.039 1.00 0.00 N ATOM 1078 CA ILE A 66 63.868 7.610 -4.474 1.00 0.00 C ATOM 1079 C ILE A 66 62.523 7.487 -5.194 1.00 0.00 C ATOM 1080 O ILE A 66 61.472 7.426 -4.580 1.00 0.00 O ATOM 1081 CB ILE A 66 63.966 6.607 -3.311 1.00 0.00 C ATOM 1082 CG1 ILE A 66 65.012 7.081 -2.288 1.00 0.00 C ATOM 1083 CG2 ILE A 66 64.229 5.179 -3.827 1.00 0.00 C ATOM 1084 CD1 ILE A 66 65.629 5.999 -1.425 1.00 0.00 C ATOM 0 H ILE A 66 63.771 9.201 -3.085 1.00 0.00 H new ATOM 0 HA ILE A 66 64.673 7.358 -5.164 1.00 0.00 H new ATOM 0 HB ILE A 66 63.008 6.566 -2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 66 65.812 7.591 -2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 66 64.545 7.818 -1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 66 64.293 4.493 -2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 66 63.413 4.873 -4.482 1.00 0.00 H new ATOM 0 HG23 ILE A 66 65.167 5.160 -4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 66 66.351 6.446 -0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 66 64.847 5.501 -0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 66 66.133 5.271 -2.060 1.00 0.00 H new ATOM 1096 N ASP A 67 62.650 7.454 -6.539 1.00 0.00 N ATOM 1097 CA ASP A 67 61.488 7.337 -7.406 1.00 0.00 C ATOM 1098 C ASP A 67 61.375 5.887 -7.908 1.00 0.00 C ATOM 1099 O ASP A 67 62.339 5.140 -7.944 1.00 0.00 O ATOM 1100 CB ASP A 67 61.571 8.368 -8.552 1.00 0.00 C ATOM 1101 CG ASP A 67 62.779 8.214 -9.500 1.00 0.00 C ATOM 1102 OD1 ASP A 67 63.567 7.296 -9.323 1.00 0.00 O ATOM 1103 OD2 ASP A 67 62.915 9.024 -10.415 1.00 0.00 O ATOM 0 H ASP A 67 63.542 7.507 -7.031 1.00 0.00 H new ATOM 0 HA ASP A 67 60.576 7.564 -6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 67 60.657 8.302 -9.143 1.00 0.00 H new ATOM 0 HB3 ASP A 67 61.598 9.367 -8.117 1.00 0.00 H new ATOM 1108 N GLU A 68 60.122 5.560 -8.297 1.00 0.00 N ATOM 1109 CA GLU A 68 59.832 4.249 -8.857 1.00 0.00 C ATOM 1110 C GLU A 68 60.515 4.022 -10.212 1.00 0.00 C ATOM 1111 O GLU A 68 60.852 2.910 -10.575 1.00 0.00 O ATOM 1112 CB GLU A 68 58.320 4.064 -9.015 1.00 0.00 C ATOM 1113 CG GLU A 68 57.636 5.045 -9.998 1.00 0.00 C ATOM 1114 CD GLU A 68 56.701 6.023 -9.273 1.00 0.00 C ATOM 1115 OE1 GLU A 68 57.186 7.037 -8.770 1.00 0.00 O ATOM 1116 OE2 GLU A 68 55.500 5.763 -9.223 1.00 0.00 O ATOM 0 H GLU A 68 59.318 6.183 -8.230 1.00 0.00 H new ATOM 0 HA GLU A 68 60.231 3.514 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 68 58.128 3.045 -9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 68 57.853 4.171 -8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 68 58.398 5.605 -10.540 1.00 0.00 H new ATOM 0 HG3 GLU A 68 57.068 4.481 -10.738 1.00 0.00 H new ATOM 1123 N LYS A 69 60.708 5.166 -10.924 1.00 0.00 N ATOM 1124 CA LYS A 69 61.354 5.166 -12.221 1.00 0.00 C ATOM 1125 C LYS A 69 62.754 4.523 -12.134 1.00 0.00 C ATOM 1126 O LYS A 69 63.229 3.886 -13.057 1.00 0.00 O ATOM 1127 CB LYS A 69 61.427 6.609 -12.764 1.00 0.00 C ATOM 1128 CG LYS A 69 61.054 6.720 -14.250 1.00 0.00 C ATOM 1129 CD LYS A 69 61.969 5.883 -15.162 1.00 0.00 C ATOM 1130 CE LYS A 69 62.482 6.642 -16.388 1.00 0.00 C ATOM 1131 NZ LYS A 69 61.693 6.396 -17.583 1.00 0.00 N ATOM 0 H LYS A 69 60.417 6.089 -10.602 1.00 0.00 H new ATOM 0 HA LYS A 69 60.765 4.566 -12.915 1.00 0.00 H new ATOM 0 HB2 LYS A 69 60.759 7.243 -12.181 1.00 0.00 H new ATOM 0 HB3 LYS A 69 62.437 6.993 -12.621 1.00 0.00 H new ATOM 0 HG2 LYS A 69 60.022 6.397 -14.385 1.00 0.00 H new ATOM 0 HG3 LYS A 69 61.104 7.765 -14.555 1.00 0.00 H new ATOM 0 HD2 LYS A 69 62.822 5.531 -14.581 1.00 0.00 H new ATOM 0 HD3 LYS A 69 61.424 5.000 -15.495 1.00 0.00 H new ATOM 0 HE2 LYS A 69 62.481 7.711 -16.173 1.00 0.00 H new ATOM 0 HE3 LYS A 69 63.517 6.356 -16.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 62.089 6.937 -18.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 61.714 5.381 -17.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 60.710 6.694 -17.418 1.00 0.00 H new ATOM 1145 N ASN A 70 63.351 4.717 -10.933 1.00 0.00 N ATOM 1146 CA ASN A 70 64.645 4.137 -10.627 1.00 0.00 C ATOM 1147 C ASN A 70 64.440 3.043 -9.574 1.00 0.00 C ATOM 1148 O ASN A 70 63.370 2.469 -9.450 1.00 0.00 O ATOM 1149 CB ASN A 70 65.590 5.253 -10.140 1.00 0.00 C ATOM 1150 CG ASN A 70 67.060 5.075 -10.562 1.00 0.00 C ATOM 1151 OD1 ASN A 70 67.808 6.038 -10.630 1.00 0.00 O ATOM 1152 ND2 ASN A 70 67.420 3.812 -10.866 1.00 0.00 N ATOM 0 H ASN A 70 62.946 5.269 -10.177 1.00 0.00 H new ATOM 0 HA ASN A 70 65.103 3.682 -11.506 1.00 0.00 H new ATOM 0 HB2 ASN A 70 65.229 6.209 -10.520 1.00 0.00 H new ATOM 0 HB3 ASN A 70 65.541 5.304 -9.052 1.00 0.00 H new ATOM 0 HD21 ASN A 70 68.371 3.613 -11.176 1.00 0.00 H new ATOM 0 HD22 ASN A 70 66.741 3.055 -10.786 1.00 0.00 H new ATOM 1159 N PHE A 71 65.545 2.799 -8.831 1.00 0.00 N ATOM 1160 CA PHE A 71 65.567 1.782 -7.816 1.00 0.00 C ATOM 1161 C PHE A 71 66.882 1.900 -7.017 1.00 0.00 C ATOM 1162 O PHE A 71 67.948 2.112 -7.581 1.00 0.00 O ATOM 1163 CB PHE A 71 65.338 0.379 -8.452 1.00 0.00 C ATOM 1164 CG PHE A 71 66.562 -0.328 -8.954 1.00 0.00 C ATOM 1165 CD1 PHE A 71 67.476 -0.832 -8.044 1.00 0.00 C ATOM 1166 CD2 PHE A 71 66.796 -0.501 -10.311 1.00 0.00 C ATOM 1167 CE1 PHE A 71 68.653 -1.421 -8.458 1.00 0.00 C ATOM 1168 CE2 PHE A 71 67.957 -1.136 -10.737 1.00 0.00 C ATOM 1169 CZ PHE A 71 68.895 -1.572 -9.811 1.00 0.00 C ATOM 0 H PHE A 71 66.423 3.308 -8.935 1.00 0.00 H new ATOM 0 HA PHE A 71 64.749 1.920 -7.108 1.00 0.00 H new ATOM 0 HB2 PHE A 71 64.854 -0.258 -7.712 1.00 0.00 H new ATOM 0 HB3 PHE A 71 64.641 0.489 -9.283 1.00 0.00 H new ATOM 0 HD1 PHE A 71 67.263 -0.763 -6.988 1.00 0.00 H new ATOM 0 HD2 PHE A 71 66.078 -0.143 -11.034 1.00 0.00 H new ATOM 0 HE1 PHE A 71 69.378 -1.761 -7.733 1.00 0.00 H new ATOM 0 HE2 PHE A 71 68.130 -1.291 -11.792 1.00 0.00 H new ATOM 0 HZ PHE A 71 69.814 -2.029 -10.147 1.00 0.00 H new ATOM 1179 N VAL A 72 66.744 1.727 -5.685 1.00 0.00 N ATOM 1180 CA VAL A 72 67.883 1.722 -4.769 1.00 0.00 C ATOM 1181 C VAL A 72 68.414 0.290 -4.548 1.00 0.00 C ATOM 1182 O VAL A 72 67.774 -0.682 -4.871 1.00 0.00 O ATOM 1183 CB VAL A 72 67.415 2.353 -3.444 1.00 0.00 C ATOM 1184 CG1 VAL A 72 67.347 1.408 -2.251 1.00 0.00 C ATOM 1185 CG2 VAL A 72 68.287 3.508 -3.005 1.00 0.00 C ATOM 0 H VAL A 72 65.843 1.589 -5.226 1.00 0.00 H new ATOM 0 HA VAL A 72 68.708 2.297 -5.190 1.00 0.00 H new ATOM 0 HB VAL A 72 66.406 2.674 -3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 72 67.006 1.955 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 72 66.650 0.599 -2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 72 68.336 0.993 -2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 72 67.909 3.913 -2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 72 69.310 3.159 -2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 72 68.271 4.286 -3.768 1.00 0.00 H new ATOM 1195 N VAL A 73 69.603 0.208 -3.924 1.00 0.00 N ATOM 1196 CA VAL A 73 70.168 -1.098 -3.614 1.00 0.00 C ATOM 1197 C VAL A 73 70.063 -1.384 -2.110 1.00 0.00 C ATOM 1198 O VAL A 73 70.815 -0.852 -1.320 1.00 0.00 O ATOM 1199 CB VAL A 73 71.634 -1.109 -4.059 1.00 0.00 C ATOM 1200 CG1 VAL A 73 72.487 -2.160 -3.318 1.00 0.00 C ATOM 1201 CG2 VAL A 73 71.737 -1.231 -5.585 1.00 0.00 C ATOM 0 H VAL A 73 70.168 1.007 -3.636 1.00 0.00 H new ATOM 0 HA VAL A 73 69.615 -1.875 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 73 72.063 -0.149 -3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 73 73.514 -2.116 -3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 73 72.470 -1.954 -2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 73 72.080 -3.154 -3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 73 72.786 -1.237 -5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 73 71.264 -2.158 -5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 73 71.234 -0.385 -6.052 1.00 0.00 H new ATOM 1211 N VAL A 74 69.141 -2.314 -1.788 1.00 0.00 N ATOM 1212 CA VAL A 74 69.030 -2.835 -0.433 1.00 0.00 C ATOM 1213 C VAL A 74 70.188 -3.828 -0.133 1.00 0.00 C ATOM 1214 O VAL A 74 70.045 -5.033 -0.250 1.00 0.00 O ATOM 1215 CB VAL A 74 67.658 -3.503 -0.225 1.00 0.00 C ATOM 1216 CG1 VAL A 74 67.248 -4.324 -1.444 1.00 0.00 C ATOM 1217 CG2 VAL A 74 67.602 -4.395 1.025 1.00 0.00 C ATOM 0 H VAL A 74 68.473 -2.710 -2.450 1.00 0.00 H new ATOM 0 HA VAL A 74 69.111 -2.004 0.268 1.00 0.00 H new ATOM 0 HB VAL A 74 66.956 -2.682 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 74 66.275 -4.782 -1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 74 67.187 -3.674 -2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 74 67.988 -5.104 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 74 66.609 -4.835 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 74 68.344 -5.188 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 74 67.813 -3.795 1.910 1.00 0.00 H new ATOM 1227 N MET A 75 71.324 -3.241 0.292 1.00 0.00 N ATOM 1228 CA MET A 75 72.463 -4.028 0.743 1.00 0.00 C ATOM 1229 C MET A 75 72.426 -4.150 2.270 1.00 0.00 C ATOM 1230 O MET A 75 72.141 -3.197 2.972 1.00 0.00 O ATOM 1231 CB MET A 75 73.744 -3.329 0.283 1.00 0.00 C ATOM 1232 CG MET A 75 75.009 -3.757 1.045 1.00 0.00 C ATOM 1233 SD MET A 75 76.539 -3.267 0.220 1.00 0.00 S ATOM 1234 CE MET A 75 76.094 -1.627 -0.384 1.00 0.00 C ATOM 0 H MET A 75 71.466 -2.232 0.328 1.00 0.00 H new ATOM 0 HA MET A 75 72.429 -5.032 0.320 1.00 0.00 H new ATOM 0 HB2 MET A 75 73.890 -3.526 -0.779 1.00 0.00 H new ATOM 0 HB3 MET A 75 73.615 -2.252 0.392 1.00 0.00 H new ATOM 0 HG2 MET A 75 74.988 -3.322 2.044 1.00 0.00 H new ATOM 0 HG3 MET A 75 75.002 -4.840 1.169 1.00 0.00 H new ATOM 0 HE1 MET A 75 76.982 -1.130 -0.775 1.00 0.00 H new ATOM 0 HE2 MET A 75 75.352 -1.720 -1.177 1.00 0.00 H new ATOM 0 HE3 MET A 75 75.679 -1.038 0.434 1.00 0.00 H new ATOM 1244 N VAL A 76 72.746 -5.384 2.728 1.00 0.00 N ATOM 1245 CA VAL A 76 72.806 -5.673 4.156 1.00 0.00 C ATOM 1246 C VAL A 76 73.985 -6.616 4.421 1.00 0.00 C ATOM 1247 O VAL A 76 74.397 -7.385 3.565 1.00 0.00 O ATOM 1248 CB VAL A 76 71.484 -6.300 4.657 1.00 0.00 C ATOM 1249 CG1 VAL A 76 71.403 -6.305 6.198 1.00 0.00 C ATOM 1250 CG2 VAL A 76 70.264 -5.622 4.017 1.00 0.00 C ATOM 0 H VAL A 76 72.962 -6.178 2.126 1.00 0.00 H new ATOM 0 HA VAL A 76 72.950 -4.741 4.703 1.00 0.00 H new ATOM 0 HB VAL A 76 71.474 -7.342 4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 76 70.460 -6.753 6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 76 72.233 -6.884 6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 76 71.459 -5.281 6.569 1.00 0.00 H new ATOM 0 HG21 VAL A 76 69.352 -6.087 4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 76 70.262 -4.562 4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 76 70.311 -5.735 2.934 1.00 0.00 H new