USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 489 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 1 ARG N :NH3+ 177:sc= -0.0512 (180deg=-0.0687) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 25 THR OG1 : rot 20:sc= -0.257 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.3!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 18.380 15.323 28.255 1.00 99.99 N ATOM 2 CA ARG A 1 17.881 15.134 29.602 1.00 0.00 C ATOM 3 C ARG A 1 18.349 13.789 30.150 1.00 0.00 C ATOM 4 O ARG A 1 18.883 13.710 31.257 1.00 0.00 O ATOM 5 CB ARG A 1 16.374 15.102 29.345 1.00 0.00 C ATOM 6 CG ARG A 1 15.701 16.456 29.499 1.00 0.00 C ATOM 7 CD ARG A 1 14.333 16.478 28.836 1.00 0.00 C ATOM 8 NE ARG A 1 13.563 17.662 29.209 1.00 0.00 N ATOM 9 CZ ARG A 1 12.921 17.795 30.366 1.00 0.00 C ATOM 10 NH1 ARG A 1 12.954 16.820 31.267 1.00 0.00 N ATOM 11 NH2 ARG A 1 12.243 18.905 30.625 1.00 0.00 N ATOM 0 H1 ARG A 1 18.014 16.218 27.872 1.00 99.99 H new ATOM 0 H2 ARG A 1 19.419 15.352 28.271 1.00 99.99 H new ATOM 0 H3 ARG A 1 18.065 14.535 27.654 1.00 99.99 H new ATOM 0 HA ARG A 1 18.207 15.886 30.321 1.00 0.00 H new ATOM 0 HB2 ARG A 1 16.194 14.729 28.337 1.00 0.00 H new ATOM 0 HB3 ARG A 1 15.911 14.395 30.034 1.00 0.00 H new ATOM 0 HG2 ARG A 1 15.597 16.693 30.558 1.00 0.00 H new ATOM 0 HG3 ARG A 1 16.332 17.229 29.060 1.00 0.00 H new ATOM 0 HD2 ARG A 1 14.454 16.451 27.753 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.779 15.582 29.117 1.00 0.00 H new ATOM 0 HE ARG A 1 13.515 18.433 28.542 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.474 15.964 31.073 1.00 0.00 H new ATOM 0 HH12 ARG A 1 12.460 16.927 32.153 1.00 0.00 H new ATOM 0 HH21 ARG A 1 12.214 19.657 29.937 1.00 0.00 H new ATOM 0 HH22 ARG A 1 11.751 19.007 31.513 1.00 0.00 H new ATOM 27 N ARG A 2 18.146 12.734 29.368 1.00 0.00 N ATOM 28 CA ARG A 2 18.547 11.392 29.775 1.00 0.00 C ATOM 29 C ARG A 2 19.765 10.924 28.986 1.00 0.00 C ATOM 30 O ARG A 2 20.860 10.797 29.533 1.00 0.00 O ATOM 31 CB ARG A 2 17.390 10.410 29.580 1.00 0.00 C ATOM 32 CG ARG A 2 16.159 10.747 30.407 1.00 0.00 C ATOM 33 CD ARG A 2 16.171 10.023 31.743 1.00 0.00 C ATOM 34 NE ARG A 2 14.823 9.701 32.204 1.00 0.00 N ATOM 35 CZ ARG A 2 14.556 8.787 33.134 1.00 0.00 C ATOM 36 NH1 ARG A 2 15.541 8.104 33.706 1.00 0.00 N ATOM 37 NH2 ARG A 2 13.301 8.556 33.495 1.00 0.00 N ATOM 0 H ARG A 2 17.706 12.782 28.449 1.00 0.00 H new ATOM 0 HA ARG A 2 18.813 11.425 30.832 1.00 0.00 H new ATOM 0 HB2 ARG A 2 17.115 10.391 28.525 1.00 0.00 H new ATOM 0 HB3 ARG A 2 17.728 9.407 29.840 1.00 0.00 H new ATOM 0 HG2 ARG A 2 16.116 11.823 30.575 1.00 0.00 H new ATOM 0 HG3 ARG A 2 15.261 10.475 29.852 1.00 0.00 H new ATOM 0 HD2 ARG A 2 16.752 9.105 31.653 1.00 0.00 H new ATOM 0 HD3 ARG A 2 16.670 10.644 32.487 1.00 0.00 H new ATOM 0 HE ARG A 2 14.040 10.206 31.789 1.00 0.00 H new ATOM 0 HH11 ARG A 2 16.508 8.279 33.433 1.00 0.00 H new ATOM 0 HH12 ARG A 2 15.330 7.405 34.418 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.541 9.079 33.060 1.00 0.00 H new ATOM 0 HH22 ARG A 2 13.096 7.856 34.208 1.00 0.00 H new ATOM 51 N ARG A 3 19.566 10.669 27.698 1.00 0.00 N ATOM 52 CA ARG A 3 20.649 10.215 26.833 1.00 0.00 C ATOM 53 C ARG A 3 20.388 10.610 25.381 1.00 0.00 C ATOM 54 O ARG A 3 20.250 9.754 24.506 1.00 0.00 O ATOM 55 CB ARG A 3 20.817 8.697 26.951 1.00 0.00 C ATOM 56 CG ARG A 3 22.259 8.260 27.154 1.00 0.00 C ATOM 57 CD ARG A 3 22.575 8.047 28.626 1.00 0.00 C ATOM 58 NE ARG A 3 23.861 8.629 29.000 1.00 0.00 N ATOM 59 CZ ARG A 3 25.035 8.046 28.767 1.00 0.00 C ATOM 60 NH1 ARG A 3 25.090 6.868 28.159 1.00 0.00 N ATOM 61 NH2 ARG A 3 26.158 8.644 29.141 1.00 0.00 N ATOM 0 H ARG A 3 18.665 10.769 27.230 1.00 0.00 H new ATOM 0 HA ARG A 3 21.571 10.698 27.155 1.00 0.00 H new ATOM 0 HB2 ARG A 3 20.216 8.337 27.786 1.00 0.00 H new ATOM 0 HB3 ARG A 3 20.426 8.225 26.050 1.00 0.00 H new ATOM 0 HG2 ARG A 3 22.441 7.336 26.604 1.00 0.00 H new ATOM 0 HG3 ARG A 3 22.930 9.014 26.742 1.00 0.00 H new ATOM 0 HD2 ARG A 3 21.786 8.490 29.234 1.00 0.00 H new ATOM 0 HD3 ARG A 3 22.583 6.979 28.844 1.00 0.00 H new ATOM 0 HE ARG A 3 23.860 9.536 29.467 1.00 0.00 H new ATOM 0 HH11 ARG A 3 24.230 6.404 27.867 1.00 0.00 H new ATOM 0 HH12 ARG A 3 25.993 6.426 27.983 1.00 0.00 H new ATOM 0 HH21 ARG A 3 26.122 9.551 29.607 1.00 0.00 H new ATOM 0 HH22 ARG A 3 27.057 8.197 28.963 1.00 0.00 H new ATOM 75 N HIS A 4 20.320 11.914 25.132 1.00 0.00 N ATOM 76 CA HIS A 4 20.075 12.425 23.789 1.00 0.00 C ATOM 77 C HIS A 4 21.385 12.788 23.094 1.00 0.00 C ATOM 78 O HIS A 4 21.464 13.784 22.376 1.00 0.00 O ATOM 79 CB HIS A 4 19.158 13.649 23.848 1.00 0.00 C ATOM 80 CG HIS A 4 17.705 13.317 23.696 1.00 0.00 C ATOM 81 ND1 HIS A 4 16.956 12.741 24.701 1.00 0.00 N ATOM 82 CD2 HIS A 4 16.863 13.483 22.649 1.00 0.00 C ATOM 83 CE1 HIS A 4 15.716 12.566 24.277 1.00 0.00 C ATOM 84 NE2 HIS A 4 15.634 13.009 23.036 1.00 0.00 N ATOM 0 H HIS A 4 20.431 12.636 25.844 1.00 0.00 H new ATOM 0 HA HIS A 4 19.587 11.640 23.212 1.00 0.00 H new ATOM 0 HB2 HIS A 4 19.308 14.160 24.799 1.00 0.00 H new ATOM 0 HB3 HIS A 4 19.447 14.347 23.062 1.00 0.00 H new ATOM 0 HD2 HIS A 4 17.112 13.909 21.688 1.00 0.00 H new ATOM 0 HE1 HIS A 4 14.908 12.134 24.849 1.00 0.00 H new ATOM 0 HE2 HIS A 4 14.793 13.000 22.458 1.00 0.00 H new ATOM 93 N ILE A 5 22.410 11.970 23.311 1.00 0.00 N ATOM 94 CA ILE A 5 23.715 12.205 22.704 1.00 0.00 C ATOM 95 C ILE A 5 23.834 11.482 21.366 1.00 0.00 C ATOM 96 O ILE A 5 24.159 12.089 20.347 1.00 0.00 O ATOM 97 CB ILE A 5 24.856 11.743 23.630 1.00 0.00 C ATOM 98 CG1 ILE A 5 24.654 12.294 25.044 1.00 0.00 C ATOM 99 CG2 ILE A 5 26.201 12.182 23.069 1.00 0.00 C ATOM 100 CD1 ILE A 5 24.673 11.225 26.115 1.00 0.00 C ATOM 0 H ILE A 5 22.362 11.140 23.902 1.00 0.00 H new ATOM 0 HA ILE A 5 23.802 13.279 22.543 1.00 0.00 H new ATOM 0 HB ILE A 5 24.843 10.654 23.683 1.00 0.00 H new ATOM 0 HG12 ILE A 5 25.435 13.024 25.256 1.00 0.00 H new ATOM 0 HG13 ILE A 5 23.702 12.824 25.087 1.00 0.00 H new ATOM 0 HG21 ILE A 5 26.998 11.849 23.733 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.344 11.743 22.082 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.225 13.269 22.990 1.00 0.00 H new ATOM 0 HD11 ILE A 5 24.524 11.686 27.092 1.00 0.00 H new ATOM 0 HD12 ILE A 5 23.874 10.507 25.927 1.00 0.00 H new ATOM 0 HD13 ILE A 5 25.634 10.711 26.099 1.00 0.00 H new ATOM 112 N VAL A 6 23.566 10.180 21.378 1.00 0.00 N ATOM 113 CA VAL A 6 23.639 9.374 20.167 1.00 0.00 C ATOM 114 C VAL A 6 22.258 9.203 19.541 1.00 0.00 C ATOM 115 O VAL A 6 21.736 8.091 19.452 1.00 0.00 O ATOM 116 CB VAL A 6 24.249 7.985 20.451 1.00 0.00 C ATOM 117 CG1 VAL A 6 23.390 7.209 21.438 1.00 0.00 C ATOM 118 CG2 VAL A 6 24.429 7.205 19.158 1.00 0.00 C ATOM 0 H VAL A 6 23.296 9.662 22.214 1.00 0.00 H new ATOM 0 HA VAL A 6 24.286 9.904 19.468 1.00 0.00 H new ATOM 0 HB VAL A 6 25.231 8.129 20.901 1.00 0.00 H new ATOM 0 HG11 VAL A 6 23.839 6.233 21.623 1.00 0.00 H new ATOM 0 HG12 VAL A 6 23.324 7.761 22.375 1.00 0.00 H new ATOM 0 HG13 VAL A 6 22.391 7.075 21.024 1.00 0.00 H new ATOM 0 HG21 VAL A 6 24.860 6.229 19.379 1.00 0.00 H new ATOM 0 HG22 VAL A 6 23.461 7.073 18.675 1.00 0.00 H new ATOM 0 HG23 VAL A 6 25.095 7.753 18.492 1.00 0.00 H new ATOM 128 N ARG A 7 21.670 10.313 19.109 1.00 0.00 N ATOM 129 CA ARG A 7 20.348 10.290 18.494 1.00 0.00 C ATOM 130 C ARG A 7 20.187 11.442 17.507 1.00 0.00 C ATOM 131 O ARG A 7 19.938 11.226 16.322 1.00 0.00 O ATOM 132 CB ARG A 7 19.261 10.364 19.570 1.00 0.00 C ATOM 133 CG ARG A 7 18.481 9.070 19.737 1.00 0.00 C ATOM 134 CD ARG A 7 17.259 9.036 18.835 1.00 0.00 C ATOM 135 NE ARG A 7 16.092 8.476 19.514 1.00 0.00 N ATOM 136 CZ ARG A 7 15.018 8.012 18.880 1.00 0.00 C ATOM 137 NH1 ARG A 7 14.958 8.037 17.555 1.00 0.00 N ATOM 138 NH2 ARG A 7 14.001 7.520 19.575 1.00 0.00 N ATOM 0 H ARG A 7 22.088 11.241 19.173 1.00 0.00 H new ATOM 0 HA ARG A 7 20.244 9.353 17.948 1.00 0.00 H new ATOM 0 HB2 ARG A 7 19.722 10.626 20.522 1.00 0.00 H new ATOM 0 HB3 ARG A 7 18.568 11.167 19.319 1.00 0.00 H new ATOM 0 HG2 ARG A 7 19.127 8.222 19.508 1.00 0.00 H new ATOM 0 HG3 ARG A 7 18.170 8.963 20.776 1.00 0.00 H new ATOM 0 HD2 ARG A 7 17.031 10.046 18.496 1.00 0.00 H new ATOM 0 HD3 ARG A 7 17.480 8.444 17.947 1.00 0.00 H new ATOM 0 HE ARG A 7 16.101 8.439 20.533 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.738 8.413 17.016 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.132 7.680 17.075 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.043 7.498 20.594 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.177 7.164 19.091 1.00 0.00 H new ATOM 152 N LYS A 8 20.326 12.669 18.006 1.00 0.00 N ATOM 153 CA LYS A 8 20.191 13.855 17.166 1.00 0.00 C ATOM 154 C LYS A 8 21.076 13.756 15.925 1.00 0.00 C ATOM 155 O LYS A 8 20.644 14.079 14.819 1.00 0.00 O ATOM 156 CB LYS A 8 20.536 15.119 17.961 1.00 0.00 C ATOM 157 CG LYS A 8 21.886 15.059 18.655 1.00 0.00 C ATOM 158 CD LYS A 8 22.081 16.233 19.600 1.00 0.00 C ATOM 159 CE LYS A 8 23.499 16.776 19.521 1.00 0.00 C ATOM 160 NZ LYS A 8 24.055 17.077 20.870 1.00 0.00 N ATOM 0 H LYS A 8 20.532 12.866 18.985 1.00 0.00 H new ATOM 0 HA LYS A 8 19.153 13.916 16.840 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.522 15.976 17.287 1.00 0.00 H new ATOM 0 HB3 LYS A 8 19.761 15.289 18.709 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.969 14.125 19.212 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.680 15.056 17.908 1.00 0.00 H new ATOM 0 HD2 LYS A 8 21.372 17.023 19.353 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.866 15.920 20.622 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.138 16.050 19.019 1.00 0.00 H new ATOM 0 HE3 LYS A 8 23.508 17.682 18.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 25.023 17.445 20.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 23.460 17.789 21.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 24.071 16.208 21.441 1.00 0.00 H new ATOM 174 N ARG A 9 22.314 13.308 16.113 1.00 0.00 N ATOM 175 CA ARG A 9 23.251 13.170 15.004 1.00 0.00 C ATOM 176 C ARG A 9 22.942 11.930 14.177 1.00 0.00 C ATOM 177 O ARG A 9 23.375 11.815 13.030 1.00 0.00 O ATOM 178 CB ARG A 9 24.687 13.106 15.527 1.00 0.00 C ATOM 179 CG ARG A 9 25.725 13.551 14.510 1.00 0.00 C ATOM 180 CD ARG A 9 26.345 12.363 13.792 1.00 0.00 C ATOM 181 NE ARG A 9 27.533 12.743 13.030 1.00 0.00 N ATOM 182 CZ ARG A 9 27.492 13.404 11.875 1.00 0.00 C ATOM 183 NH1 ARG A 9 26.327 13.760 11.347 1.00 0.00 N ATOM 184 NH2 ARG A 9 28.620 13.709 11.247 1.00 0.00 N ATOM 0 H ARG A 9 22.690 13.035 17.021 1.00 0.00 H new ATOM 0 HA ARG A 9 23.144 14.045 14.362 1.00 0.00 H new ATOM 0 HB2 ARG A 9 24.769 13.732 16.416 1.00 0.00 H new ATOM 0 HB3 ARG A 9 24.907 12.084 15.835 1.00 0.00 H new ATOM 0 HG2 ARG A 9 25.261 14.216 13.782 1.00 0.00 H new ATOM 0 HG3 ARG A 9 26.506 14.123 15.012 1.00 0.00 H new ATOM 0 HD2 ARG A 9 26.611 11.598 14.521 1.00 0.00 H new ATOM 0 HD3 ARG A 9 25.609 11.921 13.120 1.00 0.00 H new ATOM 0 HE ARG A 9 28.446 12.487 13.405 1.00 0.00 H new ATOM 0 HH11 ARG A 9 25.457 13.527 11.827 1.00 0.00 H new ATOM 0 HH12 ARG A 9 26.302 14.266 10.462 1.00 0.00 H new ATOM 0 HH21 ARG A 9 29.517 13.437 11.649 1.00 0.00 H new ATOM 0 HH22 ARG A 9 28.590 14.215 10.362 1.00 0.00 H new ATOM 198 N THR A 10 22.188 11.005 14.759 1.00 0.00 N ATOM 199 CA THR A 10 21.822 9.782 14.063 1.00 0.00 C ATOM 200 C THR A 10 20.577 9.988 13.210 1.00 0.00 C ATOM 201 O THR A 10 20.327 9.230 12.272 1.00 0.00 O ATOM 202 CB THR A 10 21.578 8.655 15.052 1.00 0.00 C ATOM 203 OG1 THR A 10 22.723 8.426 15.853 1.00 0.00 O ATOM 204 CG2 THR A 10 21.217 7.359 14.370 1.00 0.00 C ATOM 0 H THR A 10 21.820 11.080 15.708 1.00 0.00 H new ATOM 0 HA THR A 10 22.653 9.514 13.411 1.00 0.00 H new ATOM 0 HB THR A 10 20.739 8.976 15.670 1.00 0.00 H new ATOM 0 HG1 THR A 10 22.541 7.698 16.483 1.00 0.00 H new ATOM 0 HG21 THR A 10 21.053 6.586 15.121 1.00 0.00 H new ATOM 0 HG22 THR A 10 20.307 7.496 13.786 1.00 0.00 H new ATOM 0 HG23 THR A 10 22.030 7.057 13.710 1.00 0.00 H new ATOM 212 N LEU A 11 19.802 11.024 13.526 1.00 0.00 N ATOM 213 CA LEU A 11 18.591 11.329 12.769 1.00 0.00 C ATOM 214 C LEU A 11 18.916 11.537 11.288 1.00 0.00 C ATOM 215 O LEU A 11 18.017 11.674 10.458 1.00 0.00 O ATOM 216 CB LEU A 11 17.912 12.578 13.337 1.00 0.00 C ATOM 217 CG LEU A 11 16.800 12.305 14.351 1.00 0.00 C ATOM 218 CD1 LEU A 11 17.329 11.481 15.514 1.00 0.00 C ATOM 219 CD2 LEU A 11 16.202 13.612 14.851 1.00 0.00 C ATOM 0 H LEU A 11 19.991 11.664 14.298 1.00 0.00 H new ATOM 0 HA LEU A 11 17.910 10.483 12.858 1.00 0.00 H new ATOM 0 HB2 LEU A 11 18.670 13.201 13.811 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.496 13.155 12.511 1.00 0.00 H new ATOM 0 HG LEU A 11 16.015 11.735 13.855 1.00 0.00 H new ATOM 0 HD11 LEU A 11 16.524 11.297 16.225 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.710 10.530 15.142 1.00 0.00 H new ATOM 0 HD13 LEU A 11 18.133 12.025 16.009 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.412 13.399 15.572 1.00 0.00 H new ATOM 0 HD22 LEU A 11 16.979 14.208 15.330 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.786 14.167 14.010 1.00 0.00 H new ATOM 231 N ARG A 12 20.209 11.548 10.967 1.00 0.00 N ATOM 232 CA ARG A 12 20.668 11.723 9.601 1.00 0.00 C ATOM 233 C ARG A 12 20.814 10.379 8.889 1.00 0.00 C ATOM 234 O ARG A 12 21.003 10.332 7.674 1.00 0.00 O ATOM 235 CB ARG A 12 22.008 12.459 9.609 1.00 0.00 C ATOM 236 CG ARG A 12 21.907 13.917 9.189 1.00 0.00 C ATOM 237 CD ARG A 12 22.378 14.121 7.757 1.00 0.00 C ATOM 238 NE ARG A 12 23.504 15.051 7.679 1.00 0.00 N ATOM 239 CZ ARG A 12 24.772 14.703 7.890 1.00 0.00 C ATOM 240 NH1 ARG A 12 25.083 13.449 8.194 1.00 0.00 N ATOM 241 NH2 ARG A 12 25.731 15.613 7.798 1.00 0.00 N ATOM 0 H ARG A 12 20.960 11.436 11.648 1.00 0.00 H new ATOM 0 HA ARG A 12 19.927 12.309 9.058 1.00 0.00 H new ATOM 0 HB2 ARG A 12 22.435 12.407 10.611 1.00 0.00 H new ATOM 0 HB3 ARG A 12 22.699 11.945 8.941 1.00 0.00 H new ATOM 0 HG2 ARG A 12 20.874 14.253 9.284 1.00 0.00 H new ATOM 0 HG3 ARG A 12 22.506 14.532 9.861 1.00 0.00 H new ATOM 0 HD2 ARG A 12 22.670 13.161 7.331 1.00 0.00 H new ATOM 0 HD3 ARG A 12 21.553 14.499 7.154 1.00 0.00 H new ATOM 0 HE ARG A 12 23.306 16.025 7.449 1.00 0.00 H new ATOM 0 HH11 ARG A 12 24.349 12.745 8.267 1.00 0.00 H new ATOM 0 HH12 ARG A 12 26.056 13.189 8.354 1.00 0.00 H new ATOM 0 HH21 ARG A 12 25.497 16.578 7.566 1.00 0.00 H new ATOM 0 HH22 ARG A 12 26.703 15.348 7.959 1.00 0.00 H new ATOM 255 N ARG A 13 20.728 9.290 9.649 1.00 0.00 N ATOM 256 CA ARG A 13 20.854 7.955 9.079 1.00 0.00 C ATOM 257 C ARG A 13 19.590 7.570 8.315 1.00 0.00 C ATOM 258 O ARG A 13 19.646 6.821 7.341 1.00 0.00 O ATOM 259 CB ARG A 13 21.145 6.931 10.180 1.00 0.00 C ATOM 260 CG ARG A 13 19.968 6.668 11.109 1.00 0.00 C ATOM 261 CD ARG A 13 19.612 5.190 11.158 1.00 0.00 C ATOM 262 NE ARG A 13 18.169 4.976 11.223 1.00 0.00 N ATOM 263 CZ ARG A 13 17.605 3.832 11.607 1.00 0.00 C ATOM 264 NH1 ARG A 13 18.360 2.798 11.960 1.00 0.00 N ATOM 265 NH2 ARG A 13 16.284 3.721 11.637 1.00 0.00 N ATOM 0 H ARG A 13 20.572 9.307 10.657 1.00 0.00 H new ATOM 0 HA ARG A 13 21.688 7.960 8.377 1.00 0.00 H new ATOM 0 HB2 ARG A 13 21.446 5.991 9.717 1.00 0.00 H new ATOM 0 HB3 ARG A 13 21.991 7.280 10.772 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.211 7.018 12.112 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.103 7.240 10.772 1.00 0.00 H new ATOM 0 HD2 ARG A 13 20.013 4.691 10.276 1.00 0.00 H new ATOM 0 HD3 ARG A 13 20.086 4.732 12.026 1.00 0.00 H new ATOM 0 HE ARG A 13 17.557 5.748 10.959 1.00 0.00 H new ATOM 0 HH11 ARG A 13 19.377 2.878 11.938 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.923 1.924 12.253 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.699 4.512 11.366 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.852 2.845 11.931 1.00 0.00 H new ATOM 279 N LEU A 14 18.451 8.086 8.767 1.00 0.00 N ATOM 280 CA LEU A 14 17.173 7.796 8.129 1.00 0.00 C ATOM 281 C LEU A 14 17.039 8.534 6.798 1.00 0.00 C ATOM 282 O LEU A 14 16.764 7.921 5.767 1.00 0.00 O ATOM 283 CB LEU A 14 16.019 8.181 9.061 1.00 0.00 C ATOM 284 CG LEU A 14 15.226 7.004 9.629 1.00 0.00 C ATOM 285 CD1 LEU A 14 14.318 7.467 10.758 1.00 0.00 C ATOM 286 CD2 LEU A 14 14.416 6.329 8.532 1.00 0.00 C ATOM 0 H LEU A 14 18.388 8.707 9.573 1.00 0.00 H new ATOM 0 HA LEU A 14 17.132 6.725 7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.421 8.763 9.891 1.00 0.00 H new ATOM 0 HB3 LEU A 14 15.334 8.832 8.517 1.00 0.00 H new ATOM 0 HG LEU A 14 15.930 6.277 10.033 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.762 6.616 11.150 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.921 7.904 11.554 1.00 0.00 H new ATOM 0 HD13 LEU A 14 13.620 8.214 10.380 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.858 5.493 8.954 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.721 7.048 8.098 1.00 0.00 H new ATOM 0 HD23 LEU A 14 15.089 5.962 7.757 1.00 0.00 H new ATOM 298 N LEU A 15 17.231 9.849 6.828 1.00 0.00 N ATOM 299 CA LEU A 15 17.124 10.663 5.621 1.00 0.00 C ATOM 300 C LEU A 15 18.122 10.210 4.560 1.00 0.00 C ATOM 301 O LEU A 15 17.821 10.224 3.366 1.00 0.00 O ATOM 302 CB LEU A 15 17.346 12.141 5.950 1.00 0.00 C ATOM 303 CG LEU A 15 18.624 12.452 6.730 1.00 0.00 C ATOM 304 CD1 LEU A 15 19.775 12.735 5.778 1.00 0.00 C ATOM 305 CD2 LEU A 15 18.400 13.632 7.666 1.00 0.00 C ATOM 0 H LEU A 15 17.461 10.373 7.672 1.00 0.00 H new ATOM 0 HA LEU A 15 16.118 10.535 5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.363 12.705 5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.493 12.500 6.525 1.00 0.00 H new ATOM 0 HG LEU A 15 18.884 11.580 7.330 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.676 12.954 6.351 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.949 11.863 5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.527 13.591 5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.319 13.841 8.214 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.117 14.509 7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.604 13.392 8.371 1.00 0.00 H new ATOM 317 N GLN A 16 19.312 9.814 5.001 1.00 0.00 N ATOM 318 CA GLN A 16 20.354 9.363 4.085 1.00 0.00 C ATOM 319 C GLN A 16 20.099 7.935 3.614 1.00 0.00 C ATOM 320 O GLN A 16 20.570 7.530 2.551 1.00 0.00 O ATOM 321 CB GLN A 16 21.723 9.449 4.760 1.00 0.00 C ATOM 322 CG GLN A 16 22.407 10.795 4.583 1.00 0.00 C ATOM 323 CD GLN A 16 23.180 10.888 3.281 1.00 0.00 C ATOM 324 OE1 GLN A 16 22.593 10.977 2.202 1.00 0.00 O ATOM 325 NE2 GLN A 16 24.504 10.868 3.376 1.00 0.00 N ATOM 0 H GLN A 16 19.578 9.796 5.985 1.00 0.00 H new ATOM 0 HA GLN A 16 20.338 10.017 3.213 1.00 0.00 H new ATOM 0 HB2 GLN A 16 21.607 9.248 5.825 1.00 0.00 H new ATOM 0 HB3 GLN A 16 22.367 8.668 4.356 1.00 0.00 H new ATOM 0 HG2 GLN A 16 21.658 11.586 4.614 1.00 0.00 H new ATOM 0 HG3 GLN A 16 23.086 10.966 5.418 1.00 0.00 H new ATOM 0 HE21 GLN A 16 24.949 10.793 4.291 1.00 0.00 H new ATOM 0 HE22 GLN A 16 25.077 10.928 2.534 1.00 0.00 H new ATOM 334 N GLU A 17 19.355 7.172 4.408 1.00 0.00 N ATOM 335 CA GLU A 17 19.046 5.789 4.065 1.00 0.00 C ATOM 336 C GLU A 17 18.080 5.724 2.886 1.00 0.00 C ATOM 337 O GLU A 17 18.239 4.899 1.986 1.00 0.00 O ATOM 338 CB GLU A 17 18.452 5.061 5.273 1.00 0.00 C ATOM 339 CG GLU A 17 19.468 4.231 6.043 1.00 0.00 C ATOM 340 CD GLU A 17 19.112 2.758 6.079 1.00 0.00 C ATOM 341 OE1 GLU A 17 19.531 2.023 5.160 1.00 0.00 O ATOM 342 OE2 GLU A 17 18.415 2.339 7.028 1.00 0.00 O ATOM 0 H GLU A 17 18.956 7.487 5.292 1.00 0.00 H new ATOM 0 HA GLU A 17 19.974 5.296 3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.009 5.794 5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.646 4.411 4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 17 20.451 4.352 5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 17 19.541 4.608 7.063 1.00 0.00 H new ATOM 349 N ARG A 18 17.077 6.597 2.898 1.00 0.00 N ATOM 350 CA ARG A 18 16.078 6.643 1.832 1.00 0.00 C ATOM 351 C ARG A 18 16.729 6.612 0.451 1.00 0.00 C ATOM 352 O ARG A 18 16.130 6.145 -0.518 1.00 0.00 O ATOM 353 CB ARG A 18 15.218 7.901 1.968 1.00 0.00 C ATOM 354 CG ARG A 18 14.598 8.072 3.345 1.00 0.00 C ATOM 355 CD ARG A 18 13.684 9.284 3.398 1.00 0.00 C ATOM 356 NE ARG A 18 13.667 9.899 4.724 1.00 0.00 N ATOM 357 CZ ARG A 18 13.284 11.152 4.957 1.00 0.00 C ATOM 358 NH1 ARG A 18 12.882 11.929 3.959 1.00 0.00 N ATOM 359 NH2 ARG A 18 13.303 11.630 6.194 1.00 0.00 N ATOM 0 H ARG A 18 16.933 7.285 3.637 1.00 0.00 H new ATOM 0 HA ARG A 18 15.449 5.758 1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 18 15.830 8.775 1.744 1.00 0.00 H new ATOM 0 HB3 ARG A 18 14.423 7.869 1.223 1.00 0.00 H new ATOM 0 HG2 ARG A 18 14.032 7.177 3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.387 8.177 4.090 1.00 0.00 H new ATOM 0 HD2 ARG A 18 14.012 10.018 2.662 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.672 8.987 3.123 1.00 0.00 H new ATOM 0 HE ARG A 18 13.967 9.334 5.518 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.865 11.567 3.006 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.590 12.888 4.145 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.611 11.037 6.965 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.010 12.590 6.374 1.00 0.00 H new ATOM 373 N GLU A 19 17.955 7.117 0.367 1.00 0.00 N ATOM 374 CA GLU A 19 18.685 7.154 -0.896 1.00 0.00 C ATOM 375 C GLU A 19 18.797 5.763 -1.517 1.00 0.00 C ATOM 376 O GLU A 19 18.815 5.622 -2.739 1.00 0.00 O ATOM 377 CB GLU A 19 20.081 7.741 -0.683 1.00 0.00 C ATOM 378 CG GLU A 19 20.091 9.256 -0.551 1.00 0.00 C ATOM 379 CD GLU A 19 21.283 9.892 -1.239 1.00 0.00 C ATOM 380 OE1 GLU A 19 22.428 9.519 -0.909 1.00 0.00 O ATOM 381 OE2 GLU A 19 21.072 10.764 -2.108 1.00 0.00 O ATOM 0 H GLU A 19 18.465 7.507 1.159 1.00 0.00 H new ATOM 0 HA GLU A 19 18.126 7.789 -1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 19 20.517 7.304 0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 19 20.718 7.453 -1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 19 19.172 9.660 -0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 19 20.099 9.525 0.505 1.00 0.00 H new ATOM 388 N LEU A 20 18.877 4.739 -0.672 1.00 0.00 N ATOM 389 CA LEU A 20 18.992 3.366 -1.154 1.00 0.00 C ATOM 390 C LEU A 20 18.058 2.431 -0.391 1.00 0.00 C ATOM 391 O LEU A 20 18.503 1.605 0.406 1.00 0.00 O ATOM 392 CB LEU A 20 20.438 2.881 -1.025 1.00 0.00 C ATOM 393 CG LEU A 20 21.484 3.793 -1.673 1.00 0.00 C ATOM 394 CD1 LEU A 20 22.528 4.222 -0.653 1.00 0.00 C ATOM 395 CD2 LEU A 20 22.146 3.093 -2.852 1.00 0.00 C ATOM 0 H LEU A 20 18.864 4.833 0.344 1.00 0.00 H new ATOM 0 HA LEU A 20 18.700 3.353 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.677 2.773 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.515 1.890 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 20 20.978 4.686 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 20 23.262 4.869 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 20 22.043 4.764 0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 20 23.029 3.341 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 20 22.886 3.756 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 20 22.636 2.183 -2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 20 21.390 2.838 -3.595 1.00 0.00 H new ATOM 407 N VAL A 21 16.759 2.564 -0.645 1.00 0.00 N ATOM 408 CA VAL A 21 15.758 1.728 0.012 1.00 0.00 C ATOM 409 C VAL A 21 14.478 1.661 -0.818 1.00 0.00 C ATOM 410 O VAL A 21 13.970 0.577 -1.104 1.00 0.00 O ATOM 411 CB VAL A 21 15.422 2.251 1.426 1.00 0.00 C ATOM 412 CG1 VAL A 21 14.283 1.452 2.044 1.00 0.00 C ATOM 413 CG2 VAL A 21 16.652 2.202 2.320 1.00 0.00 C ATOM 0 H VAL A 21 16.374 3.243 -1.302 1.00 0.00 H new ATOM 0 HA VAL A 21 16.185 0.729 0.102 1.00 0.00 H new ATOM 0 HB VAL A 21 15.100 3.288 1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.065 1.839 3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 21 13.395 1.540 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.572 0.404 2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.396 2.574 3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 21 17.004 1.173 2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 21 17.438 2.823 1.891 1.00 0.00 H new ATOM 423 N GLU A 22 13.960 2.825 -1.198 1.00 0.00 N ATOM 424 CA GLU A 22 12.740 2.896 -1.993 1.00 0.00 C ATOM 425 C GLU A 22 12.379 4.347 -2.308 1.00 0.00 C ATOM 426 O GLU A 22 12.284 4.731 -3.474 1.00 0.00 O ATOM 427 CB GLU A 22 11.583 2.217 -1.254 1.00 0.00 C ATOM 428 CG GLU A 22 10.986 1.041 -2.010 1.00 0.00 C ATOM 429 CD GLU A 22 10.326 1.457 -3.309 1.00 0.00 C ATOM 430 OE1 GLU A 22 11.048 1.623 -4.315 1.00 0.00 O ATOM 431 OE2 GLU A 22 9.087 1.617 -3.321 1.00 0.00 O ATOM 0 H GLU A 22 14.367 3.732 -0.968 1.00 0.00 H new ATOM 0 HA GLU A 22 12.917 2.373 -2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.936 1.872 -0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.801 2.953 -1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.770 0.314 -2.222 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.252 0.542 -1.377 1.00 0.00 H new ATOM 438 N PRO A 23 12.173 5.176 -1.270 1.00 0.00 N ATOM 439 CA PRO A 23 11.822 6.586 -1.445 1.00 0.00 C ATOM 440 C PRO A 23 13.034 7.451 -1.782 1.00 0.00 C ATOM 441 O PRO A 23 13.327 8.424 -1.087 1.00 0.00 O ATOM 442 CB PRO A 23 11.252 6.968 -0.082 1.00 0.00 C ATOM 443 CG PRO A 23 11.976 6.095 0.884 1.00 0.00 C ATOM 444 CD PRO A 23 12.264 4.805 0.157 1.00 0.00 C ATOM 0 HA PRO A 23 11.131 6.739 -2.274 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.417 8.023 0.136 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.176 6.799 -0.040 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.900 6.567 1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.371 5.914 1.773 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.251 4.417 0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.542 4.030 0.416 1.00 0.00 H new ATOM 452 N LEU A 24 13.733 7.090 -2.853 1.00 0.00 N ATOM 453 CA LEU A 24 14.911 7.835 -3.283 1.00 0.00 C ATOM 454 C LEU A 24 14.587 8.709 -4.489 1.00 0.00 C ATOM 455 O LEU A 24 15.170 9.778 -4.670 1.00 0.00 O ATOM 456 CB LEU A 24 16.050 6.873 -3.628 1.00 0.00 C ATOM 457 CG LEU A 24 15.646 5.672 -4.486 1.00 0.00 C ATOM 458 CD1 LEU A 24 16.769 5.293 -5.438 1.00 0.00 C ATOM 459 CD2 LEU A 24 15.272 4.491 -3.603 1.00 0.00 C ATOM 0 H LEU A 24 13.505 6.287 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 24 15.225 8.479 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 24 16.828 7.428 -4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.489 6.506 -2.700 1.00 0.00 H new ATOM 0 HG LEU A 24 14.774 5.949 -5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 24 16.463 4.437 -6.039 1.00 0.00 H new ATOM 0 HD12 LEU A 24 16.991 6.136 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.660 5.034 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.987 3.645 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 24 16.126 4.214 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.435 4.767 -2.962 1.00 0.00 H new ATOM 471 N THR A 25 13.650 8.248 -5.311 1.00 0.00 N ATOM 472 CA THR A 25 13.243 8.985 -6.502 1.00 0.00 C ATOM 473 C THR A 25 12.417 10.215 -6.124 1.00 0.00 C ATOM 474 O THR A 25 11.300 10.087 -5.622 1.00 0.00 O ATOM 475 CB THR A 25 12.432 8.079 -7.429 1.00 0.00 C ATOM 476 OG1 THR A 25 11.153 7.818 -6.880 1.00 0.00 O ATOM 477 CG2 THR A 25 13.099 6.746 -7.697 1.00 0.00 C ATOM 0 H THR A 25 13.157 7.366 -5.174 1.00 0.00 H new ATOM 0 HA THR A 25 14.142 9.318 -7.021 1.00 0.00 H new ATOM 0 HB THR A 25 12.354 8.623 -8.370 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.938 8.502 -6.212 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.471 6.152 -8.361 1.00 0.00 H new ATOM 0 HG22 THR A 25 14.069 6.912 -8.166 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.238 6.213 -6.756 1.00 0.00 H new ATOM 485 N PRO A 26 12.954 11.427 -6.356 1.00 0.00 N ATOM 486 CA PRO A 26 12.253 12.674 -6.030 1.00 0.00 C ATOM 487 C PRO A 26 10.892 12.770 -6.711 1.00 0.00 C ATOM 488 O PRO A 26 9.983 13.431 -6.210 1.00 0.00 O ATOM 489 CB PRO A 26 13.190 13.766 -6.556 1.00 0.00 C ATOM 490 CG PRO A 26 14.531 13.122 -6.617 1.00 0.00 C ATOM 491 CD PRO A 26 14.281 11.680 -6.947 1.00 0.00 C ATOM 0 HA PRO A 26 12.045 12.752 -4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.875 14.117 -7.539 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.197 14.633 -5.895 1.00 0.00 H new ATOM 0 HG2 PRO A 26 15.156 13.593 -7.375 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.055 13.220 -5.666 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.283 11.507 -8.023 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.044 11.030 -6.518 1.00 0.00 H new ATOM 499 N SER A 27 10.759 12.109 -7.857 1.00 0.00 N ATOM 500 CA SER A 27 9.508 12.124 -8.605 1.00 0.00 C ATOM 501 C SER A 27 9.136 10.720 -9.077 1.00 0.00 C ATOM 502 O SER A 27 8.811 10.513 -10.248 1.00 0.00 O ATOM 503 CB SER A 27 9.620 13.066 -9.806 1.00 0.00 C ATOM 504 OG SER A 27 9.262 14.391 -9.449 1.00 0.00 O ATOM 0 H SER A 27 11.501 11.557 -8.287 1.00 0.00 H new ATOM 0 HA SER A 27 8.722 12.483 -7.941 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.640 13.052 -10.189 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.973 12.715 -10.610 1.00 0.00 H new ATOM 0 HG SER A 27 9.343 14.974 -10.232 1.00 0.00 H new ATOM 510 N GLY A 28 9.182 9.760 -8.159 1.00 0.00 N ATOM 511 CA GLY A 28 8.847 8.391 -8.503 1.00 0.00 C ATOM 512 C GLY A 28 7.984 7.724 -7.450 1.00 0.00 C ATOM 513 O GLY A 28 6.831 8.106 -7.249 1.00 0.00 O ATOM 0 H GLY A 28 9.445 9.906 -7.184 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.324 8.377 -9.459 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.765 7.817 -8.633 1.00 0.00 H new ATOM 517 N GLU A 29 8.542 6.723 -6.777 1.00 0.00 N ATOM 518 CA GLU A 29 7.816 6.000 -5.739 1.00 0.00 C ATOM 519 C GLU A 29 8.090 6.601 -4.364 1.00 0.00 C ATOM 520 O GLU A 29 8.400 5.884 -3.411 1.00 0.00 O ATOM 521 CB GLU A 29 8.204 4.520 -5.752 1.00 0.00 C ATOM 522 CG GLU A 29 7.642 3.755 -6.940 1.00 0.00 C ATOM 523 CD GLU A 29 7.033 2.425 -6.542 1.00 0.00 C ATOM 524 OE1 GLU A 29 5.961 2.430 -5.901 1.00 0.00 O ATOM 525 OE2 GLU A 29 7.629 1.377 -6.870 1.00 0.00 O ATOM 0 H GLU A 29 9.495 6.394 -6.932 1.00 0.00 H new ATOM 0 HA GLU A 29 6.750 6.089 -5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.291 4.438 -5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.854 4.053 -4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.885 4.364 -7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.437 3.584 -7.666 1.00 0.00 H new ATOM 532 N ALA A 30 7.974 7.922 -4.266 1.00 0.00 N ATOM 533 CA ALA A 30 8.209 8.619 -3.009 1.00 0.00 C ATOM 534 C ALA A 30 7.018 8.465 -2.066 1.00 0.00 C ATOM 535 O ALA A 30 5.934 8.055 -2.486 1.00 0.00 O ATOM 536 CB ALA A 30 8.495 10.091 -3.269 1.00 0.00 C ATOM 0 H ALA A 30 7.718 8.530 -5.044 1.00 0.00 H new ATOM 0 HA ALA A 30 9.079 8.171 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.669 10.601 -2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.380 10.184 -3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.641 10.544 -3.773 1.00 0.00 H new ATOM 542 N PRO A 31 7.201 8.792 -0.776 1.00 0.00 N ATOM 543 CA PRO A 31 6.133 8.686 0.224 1.00 0.00 C ATOM 544 C PRO A 31 4.960 9.609 -0.086 1.00 0.00 C ATOM 545 O PRO A 31 3.811 9.171 -0.141 1.00 0.00 O ATOM 546 CB PRO A 31 6.813 9.104 1.532 1.00 0.00 C ATOM 547 CG PRO A 31 8.013 9.883 1.115 1.00 0.00 C ATOM 548 CD PRO A 31 8.458 9.288 -0.190 1.00 0.00 C ATOM 0 HA PRO A 31 5.708 7.683 0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.146 9.707 2.148 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.095 8.234 2.125 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.772 10.940 1.000 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.802 9.816 1.864 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.936 10.030 -0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.179 8.484 -0.042 1.00 0.00 H new ATOM 556 N ASN A 32 5.257 10.891 -0.286 1.00 0.00 N ATOM 557 CA ASN A 32 4.229 11.885 -0.587 1.00 0.00 C ATOM 558 C ASN A 32 3.258 11.377 -1.651 1.00 0.00 C ATOM 559 O ASN A 32 2.045 11.495 -1.500 1.00 0.00 O ATOM 560 CB ASN A 32 4.877 13.190 -1.055 1.00 0.00 C ATOM 561 CG ASN A 32 4.008 14.400 -0.773 1.00 0.00 C ATOM 562 OD1 ASN A 32 3.416 14.980 -1.683 1.00 0.00 O ATOM 563 ND2 ASN A 32 3.927 14.786 0.495 1.00 0.00 N ATOM 0 H ASN A 32 6.204 11.267 -0.245 1.00 0.00 H new ATOM 0 HA ASN A 32 3.665 12.069 0.327 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.839 13.313 -0.558 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.076 13.130 -2.125 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.357 15.593 0.747 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.435 14.275 1.217 1.00 0.00 H new ATOM 570 N GLN A 33 3.804 10.811 -2.725 1.00 0.00 N ATOM 571 CA GLN A 33 2.980 10.285 -3.811 1.00 0.00 C ATOM 572 C GLN A 33 1.944 9.300 -3.285 1.00 0.00 C ATOM 573 O GLN A 33 0.881 9.127 -3.881 1.00 0.00 O ATOM 574 CB GLN A 33 3.845 9.613 -4.874 1.00 0.00 C ATOM 575 CG GLN A 33 5.098 10.397 -5.228 1.00 0.00 C ATOM 576 CD GLN A 33 5.164 10.760 -6.700 1.00 0.00 C ATOM 577 OE1 GLN A 33 4.594 10.073 -7.547 1.00 0.00 O ATOM 578 NE2 GLN A 33 5.862 11.846 -7.010 1.00 0.00 N ATOM 0 H GLN A 33 4.809 10.705 -2.866 1.00 0.00 H new ATOM 0 HA GLN A 33 2.458 11.127 -4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.134 8.623 -4.522 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.250 9.469 -5.776 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.132 11.308 -4.631 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.977 9.809 -4.963 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.319 12.386 -6.275 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.942 12.140 -7.983 1.00 0.00 H new ATOM 587 N ALA A 34 2.241 8.679 -2.148 1.00 0.00 N ATOM 588 CA ALA A 34 1.312 7.744 -1.537 1.00 0.00 C ATOM 589 C ALA A 34 0.078 8.504 -1.089 1.00 0.00 C ATOM 590 O ALA A 34 -1.033 8.235 -1.537 1.00 0.00 O ATOM 591 CB ALA A 34 1.965 7.030 -0.362 1.00 0.00 C ATOM 0 H ALA A 34 3.114 8.807 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 34 1.025 6.984 -2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.253 6.334 0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.840 6.481 -0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.270 7.763 0.385 1.00 0.00 H new ATOM 597 N LEU A 35 0.296 9.495 -0.237 1.00 0.00 N ATOM 598 CA LEU A 35 -0.788 10.337 0.236 1.00 0.00 C ATOM 599 C LEU A 35 -1.353 11.130 -0.936 1.00 0.00 C ATOM 600 O LEU A 35 -2.544 11.434 -0.984 1.00 0.00 O ATOM 601 CB LEU A 35 -0.297 11.286 1.330 1.00 0.00 C ATOM 602 CG LEU A 35 0.673 10.665 2.340 1.00 0.00 C ATOM 603 CD1 LEU A 35 1.959 11.473 2.420 1.00 0.00 C ATOM 604 CD2 LEU A 35 0.022 10.564 3.713 1.00 0.00 C ATOM 0 H LEU A 35 1.213 9.734 0.139 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.570 9.708 0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.191 12.139 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.162 11.672 1.870 1.00 0.00 H new ATOM 0 HG LEU A 35 0.921 9.660 1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.633 11.014 3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.437 11.494 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.730 12.491 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.726 10.121 4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.257 11.560 4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.869 9.939 3.648 1.00 0.00 H new ATOM 616 N LEU A 36 -0.472 11.456 -1.884 1.00 0.00 N ATOM 617 CA LEU A 36 -0.856 12.212 -3.069 1.00 0.00 C ATOM 618 C LEU A 36 -1.980 11.512 -3.827 1.00 0.00 C ATOM 619 O LEU A 36 -2.898 12.158 -4.324 1.00 0.00 O ATOM 620 CB LEU A 36 0.352 12.431 -3.985 1.00 0.00 C ATOM 621 CG LEU A 36 0.414 13.806 -4.653 1.00 0.00 C ATOM 622 CD1 LEU A 36 1.618 13.896 -5.578 1.00 0.00 C ATOM 623 CD2 LEU A 36 -0.871 14.083 -5.419 1.00 0.00 C ATOM 0 H LEU A 36 0.516 11.205 -1.850 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.224 13.184 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.262 12.285 -3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.344 11.666 -4.762 1.00 0.00 H new ATOM 0 HG LEU A 36 0.522 14.563 -3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.646 14.881 -6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.531 13.741 -5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.541 13.131 -6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.810 15.065 -5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.008 13.322 -6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.716 14.061 -4.731 1.00 0.00 H new ATOM 635 N ARG A 37 -1.901 10.194 -3.953 1.00 0.00 N ATOM 636 CA ARG A 37 -2.923 9.458 -4.682 1.00 0.00 C ATOM 637 C ARG A 37 -3.860 8.693 -3.757 1.00 0.00 C ATOM 638 O ARG A 37 -4.922 8.269 -4.186 1.00 0.00 O ATOM 639 CB ARG A 37 -2.267 8.496 -5.675 1.00 0.00 C ATOM 640 CG ARG A 37 -3.258 7.741 -6.546 1.00 0.00 C ATOM 641 CD ARG A 37 -3.049 6.238 -6.459 1.00 0.00 C ATOM 642 NE ARG A 37 -1.820 5.816 -7.127 1.00 0.00 N ATOM 643 CZ ARG A 37 -1.381 4.559 -7.148 1.00 0.00 C ATOM 644 NH1 ARG A 37 -2.066 3.600 -6.539 1.00 0.00 N ATOM 645 NH2 ARG A 37 -0.254 4.260 -7.779 1.00 0.00 N ATOM 0 H ARG A 37 -1.152 9.620 -3.566 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.526 10.190 -5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.589 9.058 -6.317 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.661 7.777 -5.123 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.274 7.986 -6.238 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.153 8.064 -7.582 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.014 5.937 -5.412 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.900 5.727 -6.909 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.266 6.526 -7.605 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.934 3.824 -6.052 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.725 2.639 -6.558 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.277 4.993 -8.249 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.082 3.297 -7.795 1.00 0.00 H new ATOM 659 N ILE A 38 -3.493 8.525 -2.491 1.00 0.00 N ATOM 660 CA ILE A 38 -4.359 7.803 -1.559 1.00 0.00 C ATOM 661 C ILE A 38 -5.549 8.654 -1.123 1.00 0.00 C ATOM 662 O ILE A 38 -6.696 8.234 -1.237 1.00 0.00 O ATOM 663 CB ILE A 38 -3.580 7.326 -0.317 1.00 0.00 C ATOM 664 CG1 ILE A 38 -2.582 6.245 -0.718 1.00 0.00 C ATOM 665 CG2 ILE A 38 -4.531 6.799 0.751 1.00 0.00 C ATOM 666 CD1 ILE A 38 -1.384 6.150 0.202 1.00 0.00 C ATOM 0 H ILE A 38 -2.621 8.870 -2.090 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.733 6.930 -2.094 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.039 8.175 0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.092 5.282 -0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.235 6.442 -1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.958 6.468 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.217 7.591 1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.099 5.960 0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.719 5.360 -0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.849 7.100 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.719 5.922 1.214 1.00 0.00 H new ATOM 678 N LEU A 39 -5.270 9.854 -0.638 1.00 0.00 N ATOM 679 CA LEU A 39 -6.327 10.756 -0.198 1.00 0.00 C ATOM 680 C LEU A 39 -7.136 11.266 -1.390 1.00 0.00 C ATOM 681 O LEU A 39 -8.217 11.824 -1.226 1.00 0.00 O ATOM 682 CB LEU A 39 -5.733 11.935 0.574 1.00 0.00 C ATOM 683 CG LEU A 39 -5.657 11.744 2.090 1.00 0.00 C ATOM 684 CD1 LEU A 39 -7.026 11.395 2.652 1.00 0.00 C ATOM 685 CD2 LEU A 39 -4.644 10.664 2.439 1.00 0.00 C ATOM 0 H LEU A 39 -4.326 10.226 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.994 10.201 0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.729 12.128 0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.328 12.824 0.364 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.330 12.681 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.953 11.263 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.726 12.201 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.382 10.471 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.602 10.541 3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.942 9.723 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.661 10.954 2.069 1.00 0.00 H new ATOM 697 N LYS A 40 -6.583 11.092 -2.587 1.00 0.00 N ATOM 698 CA LYS A 40 -7.231 11.556 -3.807 1.00 0.00 C ATOM 699 C LYS A 40 -7.974 10.426 -4.498 1.00 0.00 C ATOM 700 O LYS A 40 -9.036 10.632 -5.085 1.00 0.00 O ATOM 701 CB LYS A 40 -6.194 12.157 -4.753 1.00 0.00 C ATOM 702 CG LYS A 40 -5.645 13.497 -4.288 1.00 0.00 C ATOM 703 CD LYS A 40 -5.170 13.448 -2.841 1.00 0.00 C ATOM 704 CE LYS A 40 -3.723 13.872 -2.710 1.00 0.00 C ATOM 705 NZ LYS A 40 -3.556 15.017 -1.774 1.00 0.00 N ATOM 0 H LYS A 40 -5.685 10.632 -2.737 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.958 12.322 -3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.368 11.455 -4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.643 12.281 -5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.817 13.792 -4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.416 14.260 -4.391 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.796 14.099 -2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.289 12.436 -2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.129 13.028 -2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.336 14.147 -3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.550 15.273 -1.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.101 15.832 -2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.900 14.747 -0.830 1.00 0.00 H new ATOM 719 N GLU A 41 -7.409 9.234 -4.421 1.00 0.00 N ATOM 720 CA GLU A 41 -8.019 8.066 -5.036 1.00 0.00 C ATOM 721 C GLU A 41 -8.873 7.305 -4.028 1.00 0.00 C ATOM 722 O GLU A 41 -9.535 6.326 -4.370 1.00 0.00 O ATOM 723 CB GLU A 41 -6.926 7.172 -5.617 1.00 0.00 C ATOM 724 CG GLU A 41 -6.269 6.263 -4.591 1.00 0.00 C ATOM 725 CD GLU A 41 -6.879 4.875 -4.551 1.00 0.00 C ATOM 726 OE1 GLU A 41 -7.905 4.657 -5.230 1.00 0.00 O ATOM 727 OE2 GLU A 41 -6.329 4.005 -3.842 1.00 0.00 O ATOM 0 H GLU A 41 -6.529 9.048 -3.939 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.678 8.388 -5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.354 6.559 -6.411 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.162 7.799 -6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.206 6.180 -4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.352 6.719 -3.604 1.00 0.00 H new ATOM 734 N THR A 42 -8.860 7.775 -2.789 1.00 0.00 N ATOM 735 CA THR A 42 -9.634 7.160 -1.728 1.00 0.00 C ATOM 736 C THR A 42 -10.329 8.229 -0.881 1.00 0.00 C ATOM 737 O THR A 42 -10.900 7.928 0.168 1.00 0.00 O ATOM 738 CB THR A 42 -8.726 6.293 -0.858 1.00 0.00 C ATOM 739 OG1 THR A 42 -8.135 5.261 -1.627 1.00 0.00 O ATOM 740 CG2 THR A 42 -9.446 5.647 0.302 1.00 0.00 C ATOM 0 H THR A 42 -8.317 8.587 -2.495 1.00 0.00 H new ATOM 0 HA THR A 42 -10.402 6.528 -2.174 1.00 0.00 H new ATOM 0 HB THR A 42 -7.972 6.972 -0.461 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.556 4.717 -1.054 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.742 5.046 0.878 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.872 6.420 0.942 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.244 5.008 -0.076 1.00 0.00 H new ATOM 748 N GLU A 43 -10.279 9.481 -1.350 1.00 0.00 N ATOM 749 CA GLU A 43 -10.906 10.600 -0.645 1.00 0.00 C ATOM 750 C GLU A 43 -12.292 10.227 -0.144 1.00 0.00 C ATOM 751 O GLU A 43 -12.549 10.224 1.060 1.00 0.00 O ATOM 752 CB GLU A 43 -11.016 11.830 -1.557 1.00 0.00 C ATOM 753 CG GLU A 43 -11.172 11.497 -3.035 1.00 0.00 C ATOM 754 CD GLU A 43 -12.278 12.295 -3.699 1.00 0.00 C ATOM 755 OE1 GLU A 43 -13.260 12.637 -3.008 1.00 0.00 O ATOM 756 OE2 GLU A 43 -12.160 12.578 -4.909 1.00 0.00 O ATOM 0 H GLU A 43 -9.809 9.743 -2.217 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.271 10.839 0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.869 12.430 -1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.127 12.446 -1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.230 11.691 -3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.381 10.433 -3.144 1.00 0.00 H new ATOM 763 N PHE A 44 -13.187 9.923 -1.076 1.00 0.00 N ATOM 764 CA PHE A 44 -14.553 9.561 -0.730 1.00 0.00 C ATOM 765 C PHE A 44 -14.701 8.056 -0.550 1.00 0.00 C ATOM 766 O PHE A 44 -15.600 7.593 0.154 1.00 0.00 O ATOM 767 CB PHE A 44 -15.519 10.052 -1.810 1.00 0.00 C ATOM 768 CG PHE A 44 -16.845 10.504 -1.269 1.00 0.00 C ATOM 769 CD1 PHE A 44 -17.802 9.579 -0.885 1.00 0.00 C ATOM 770 CD2 PHE A 44 -17.134 11.853 -1.146 1.00 0.00 C ATOM 771 CE1 PHE A 44 -19.023 9.991 -0.386 1.00 0.00 C ATOM 772 CE2 PHE A 44 -18.354 12.272 -0.649 1.00 0.00 C ATOM 773 CZ PHE A 44 -19.300 11.339 -0.268 1.00 0.00 C ATOM 0 H PHE A 44 -12.990 9.920 -2.077 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.795 10.042 0.218 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -15.057 10.877 -2.352 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -15.684 9.251 -2.530 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -17.591 8.524 -0.977 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.398 12.586 -1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -19.760 9.260 -0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -18.568 13.327 -0.559 1.00 0.00 H new ATOM 0 HZ PHE A 44 -20.254 11.663 0.121 1.00 0.00 H new ATOM 783 N LYS A 45 -13.826 7.287 -1.195 1.00 0.00 N ATOM 784 CA LYS A 45 -13.886 5.832 -1.098 1.00 0.00 C ATOM 785 C LYS A 45 -13.840 5.362 0.357 1.00 0.00 C ATOM 786 O LYS A 45 -14.687 4.585 0.795 1.00 0.00 O ATOM 787 CB LYS A 45 -12.735 5.198 -1.884 1.00 0.00 C ATOM 788 CG LYS A 45 -12.512 5.811 -3.259 1.00 0.00 C ATOM 789 CD LYS A 45 -13.804 5.895 -4.055 1.00 0.00 C ATOM 790 CE LYS A 45 -13.597 6.619 -5.376 1.00 0.00 C ATOM 791 NZ LYS A 45 -13.318 5.672 -6.490 1.00 0.00 N ATOM 0 H LYS A 45 -13.074 7.644 -1.785 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.836 5.514 -1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.817 5.291 -1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.932 4.132 -2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.088 6.809 -3.148 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.784 5.215 -3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.182 4.890 -4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.561 6.415 -3.468 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.485 7.205 -5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.768 7.320 -5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.183 6.205 -7.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.456 5.130 -6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.120 5.019 -6.599 1.00 0.00 H new ATOM 805 N LYS A 46 -12.827 5.811 1.089 1.00 0.00 N ATOM 806 CA LYS A 46 -12.645 5.412 2.485 1.00 0.00 C ATOM 807 C LYS A 46 -13.749 5.939 3.403 1.00 0.00 C ATOM 808 O LYS A 46 -14.188 5.233 4.312 1.00 0.00 O ATOM 809 CB LYS A 46 -11.286 5.884 3.002 1.00 0.00 C ATOM 810 CG LYS A 46 -11.055 7.379 2.849 1.00 0.00 C ATOM 811 CD LYS A 46 -11.093 8.091 4.192 1.00 0.00 C ATOM 812 CE LYS A 46 -10.661 9.543 4.067 1.00 0.00 C ATOM 813 NZ LYS A 46 -10.647 10.235 5.385 1.00 0.00 N ATOM 0 H LYS A 46 -12.116 6.454 0.740 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.695 4.323 2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.197 5.618 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.500 5.348 2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.090 7.552 2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.816 7.800 2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -12.102 8.045 4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.440 7.576 4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.667 9.589 3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.337 10.066 3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.347 11.222 5.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.601 10.214 5.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.983 9.752 6.023 1.00 0.00 H new ATOM 827 N ILE A 47 -14.177 7.179 3.194 1.00 0.00 N ATOM 828 CA ILE A 47 -15.206 7.768 4.048 1.00 0.00 C ATOM 829 C ILE A 47 -16.569 7.114 3.841 1.00 0.00 C ATOM 830 O ILE A 47 -17.198 6.674 4.802 1.00 0.00 O ATOM 831 CB ILE A 47 -15.319 9.298 3.852 1.00 0.00 C ATOM 832 CG1 ILE A 47 -15.882 9.637 2.470 1.00 0.00 C ATOM 833 CG2 ILE A 47 -13.960 9.953 4.052 1.00 0.00 C ATOM 834 CD1 ILE A 47 -15.848 11.115 2.142 1.00 0.00 C ATOM 0 H ILE A 47 -13.835 7.790 2.452 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.889 7.577 5.073 1.00 0.00 H new ATOM 0 HB ILE A 47 -16.011 9.688 4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -15.316 9.093 1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.912 9.285 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -14.051 11.030 3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.602 9.747 5.061 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.252 9.551 3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -16.263 11.277 1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -16.439 11.664 2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -14.818 11.470 2.167 1.00 0.00 H new ATOM 846 N LYS A 48 -17.032 7.050 2.596 1.00 0.00 N ATOM 847 CA LYS A 48 -18.328 6.447 2.302 1.00 0.00 C ATOM 848 C LYS A 48 -18.416 5.042 2.892 1.00 0.00 C ATOM 849 O LYS A 48 -19.473 4.618 3.360 1.00 0.00 O ATOM 850 CB LYS A 48 -18.565 6.397 0.791 1.00 0.00 C ATOM 851 CG LYS A 48 -17.588 5.501 0.050 1.00 0.00 C ATOM 852 CD LYS A 48 -17.518 5.853 -1.426 1.00 0.00 C ATOM 853 CE LYS A 48 -17.425 4.608 -2.293 1.00 0.00 C ATOM 854 NZ LYS A 48 -18.273 4.717 -3.513 1.00 0.00 N ATOM 0 H LYS A 48 -16.534 7.405 1.780 1.00 0.00 H new ATOM 0 HA LYS A 48 -19.101 7.065 2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -19.580 6.047 0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.496 7.407 0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.597 5.595 0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.890 4.460 0.163 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -18.401 6.427 -1.706 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.652 6.490 -1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.388 4.446 -2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.733 3.738 -1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.182 3.848 -4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -19.267 4.847 -3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.963 5.532 -4.080 1.00 0.00 H new ATOM 868 N VAL A 49 -17.297 4.329 2.863 1.00 0.00 N ATOM 869 CA VAL A 49 -17.238 2.971 3.390 1.00 0.00 C ATOM 870 C VAL A 49 -17.189 2.966 4.915 1.00 0.00 C ATOM 871 O VAL A 49 -17.760 2.087 5.560 1.00 0.00 O ATOM 872 CB VAL A 49 -16.009 2.218 2.845 1.00 0.00 C ATOM 873 CG1 VAL A 49 -15.993 0.780 3.342 1.00 0.00 C ATOM 874 CG2 VAL A 49 -15.988 2.263 1.326 1.00 0.00 C ATOM 0 H VAL A 49 -16.416 4.670 2.479 1.00 0.00 H new ATOM 0 HA VAL A 49 -18.146 2.465 3.063 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.112 2.713 3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -15.117 0.267 2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -15.955 0.772 4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -16.895 0.269 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -15.113 1.726 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -16.892 1.795 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -15.944 3.300 0.993 1.00 0.00 H new ATOM 884 N LEU A 50 -16.497 3.947 5.487 1.00 0.00 N ATOM 885 CA LEU A 50 -16.373 4.047 6.937 1.00 0.00 C ATOM 886 C LEU A 50 -17.630 4.647 7.556 1.00 0.00 C ATOM 887 O LEU A 50 -17.984 4.335 8.693 1.00 0.00 O ATOM 888 CB LEU A 50 -15.153 4.892 7.307 1.00 0.00 C ATOM 889 CG LEU A 50 -13.803 4.265 6.954 1.00 0.00 C ATOM 890 CD1 LEU A 50 -12.726 5.334 6.859 1.00 0.00 C ATOM 891 CD2 LEU A 50 -13.422 3.211 7.983 1.00 0.00 C ATOM 0 H LEU A 50 -16.015 4.682 4.970 1.00 0.00 H new ATOM 0 HA LEU A 50 -16.244 3.040 7.334 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -15.232 5.856 6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -15.177 5.088 8.379 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.891 3.781 5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.773 4.869 6.607 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.994 6.053 6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.637 5.847 7.816 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.459 2.775 7.717 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -13.352 3.673 8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -14.182 2.430 8.002 1.00 0.00 H new ATOM 903 N GLY A 51 -18.305 5.505 6.800 1.00 0.00 N ATOM 904 CA GLY A 51 -19.517 6.131 7.291 1.00 0.00 C ATOM 905 C GLY A 51 -20.766 5.441 6.780 1.00 0.00 C ATOM 906 O GLY A 51 -21.821 6.063 6.651 1.00 0.00 O ATOM 0 H GLY A 51 -18.034 5.778 5.855 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -19.516 6.116 8.381 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -19.532 7.178 6.987 1.00 0.00 H new ATOM 910 N SER A 52 -20.644 4.151 6.487 1.00 0.00 N ATOM 911 CA SER A 52 -21.768 3.371 5.987 1.00 0.00 C ATOM 912 C SER A 52 -22.871 3.272 7.035 1.00 0.00 C ATOM 913 O SER A 52 -24.053 3.191 6.702 1.00 0.00 O ATOM 914 CB SER A 52 -21.304 1.970 5.583 1.00 0.00 C ATOM 915 OG SER A 52 -21.220 1.115 6.711 1.00 0.00 O ATOM 0 H SER A 52 -19.777 3.624 6.588 1.00 0.00 H new ATOM 0 HA SER A 52 -22.170 3.880 5.111 1.00 0.00 H new ATOM 0 HB2 SER A 52 -21.998 1.550 4.855 1.00 0.00 H new ATOM 0 HB3 SER A 52 -20.331 2.032 5.097 1.00 0.00 H new ATOM 0 HG SER A 52 -20.923 0.226 6.426 1.00 0.00 H new ATOM 921 N GLY A 53 -22.476 3.280 8.305 1.00 0.00 N ATOM 922 CA GLY A 53 -23.443 3.190 9.383 1.00 0.00 C ATOM 923 C GLY A 53 -23.758 1.757 9.762 1.00 0.00 C ATOM 924 O GLY A 53 -23.053 1.205 10.632 1.00 0.00 O ATOM 925 OXT GLY A 53 -24.711 1.187 9.190 1.00 0.00 O ATOM 0 H GLY A 53 -21.504 3.347 8.606 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.059 3.717 10.256 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.362 3.694 9.085 1.00 0.00 H new TER 929 GLY A 53