USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 320 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 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.114 USER MOD Single : A 16 SER OG : rot 80:sc= 1.2 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.333 K(o=-0.33,f=-1.8) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.018 11.431 4.779 1.00 0.00 N ATOM 2 CA LYS A 1 -13.902 11.539 3.582 1.00 0.00 C ATOM 3 C LYS A 1 -13.104 11.363 2.271 1.00 0.00 C ATOM 4 O LYS A 1 -12.862 12.335 1.550 1.00 0.00 O ATOM 5 CB LYS A 1 -14.698 12.868 3.626 1.00 0.00 C ATOM 6 CG LYS A 1 -15.824 12.962 2.577 1.00 0.00 C ATOM 7 CD LYS A 1 -16.296 14.414 2.417 1.00 0.00 C ATOM 8 CE LYS A 1 -17.388 14.509 1.345 1.00 0.00 C ATOM 9 NZ LYS A 1 -17.745 15.923 1.056 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.585 11.554 5.642 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.565 10.495 4.793 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.286 12.169 4.738 1.00 0.00 H new ATOM 0 HA LYS A 1 -14.625 10.724 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -15.131 12.987 4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -14.007 13.698 3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -15.468 12.582 1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -16.662 12.333 2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.678 14.785 3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.453 15.048 2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -17.045 14.025 0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -18.275 13.969 1.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -18.486 15.952 0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -18.095 16.377 1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -16.904 16.431 0.715 1.00 0.00 H new ATOM 25 N LYS A 2 -12.680 10.128 1.956 1.00 0.00 N ATOM 26 CA LYS A 2 -12.124 9.674 0.654 1.00 0.00 C ATOM 27 C LYS A 2 -12.076 8.139 0.577 1.00 0.00 C ATOM 28 O LYS A 2 -12.226 7.468 1.601 1.00 0.00 O ATOM 29 CB LYS A 2 -10.735 10.300 0.382 1.00 0.00 C ATOM 30 CG LYS A 2 -9.633 9.902 1.383 1.00 0.00 C ATOM 31 CD LYS A 2 -8.325 10.670 1.122 1.00 0.00 C ATOM 32 CE LYS A 2 -8.373 12.142 1.569 1.00 0.00 C ATOM 33 NZ LYS A 2 -8.210 12.292 3.041 1.00 0.00 N ATOM 0 H LYS A 2 -12.715 9.370 2.637 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.794 10.023 -0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.415 10.015 -0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.835 11.385 0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.975 10.100 2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.447 8.830 1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -7.509 10.168 1.642 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.097 10.630 0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.587 12.700 1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.323 12.581 1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.249 13.300 3.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.975 11.783 3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -7.292 11.898 3.331 1.00 0.00 H new ATOM 47 N VAL A 3 -11.847 7.586 -0.618 1.00 0.00 N ATOM 48 CA VAL A 3 -11.713 6.137 -0.887 1.00 0.00 C ATOM 49 C VAL A 3 -10.589 5.889 -1.900 1.00 0.00 C ATOM 50 O VAL A 3 -10.526 6.546 -2.940 1.00 0.00 O ATOM 51 CB VAL A 3 -13.039 5.531 -1.409 1.00 0.00 C ATOM 52 CG1 VAL A 3 -12.931 4.012 -1.606 1.00 0.00 C ATOM 53 CG2 VAL A 3 -14.216 5.775 -0.454 1.00 0.00 C ATOM 0 H VAL A 3 -11.745 8.150 -1.462 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.466 5.646 0.054 1.00 0.00 H new ATOM 0 HB VAL A 3 -13.222 6.033 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -13.881 3.624 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -12.146 3.794 -2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.689 3.538 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -15.120 5.329 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -13.999 5.322 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -14.366 6.847 -0.327 1.00 0.00 H new ATOM 63 N CYS A 4 -9.711 4.924 -1.613 1.00 0.00 N ATOM 64 CA CYS A 4 -8.690 4.423 -2.538 1.00 0.00 C ATOM 65 C CYS A 4 -9.363 3.646 -3.694 1.00 0.00 C ATOM 66 O CYS A 4 -9.827 2.521 -3.496 1.00 0.00 O ATOM 67 CB CYS A 4 -7.691 3.527 -1.773 1.00 0.00 C ATOM 68 SG CYS A 4 -7.148 4.084 -0.130 1.00 0.00 S ATOM 0 H CYS A 4 -9.690 4.457 -0.706 1.00 0.00 H new ATOM 0 HA CYS A 4 -8.141 5.261 -2.967 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -8.142 2.541 -1.661 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -6.805 3.404 -2.396 1.00 0.00 H new ATOM 73 N ALA A 5 -9.461 4.235 -4.893 1.00 0.00 N ATOM 74 CA ALA A 5 -10.115 3.657 -6.082 1.00 0.00 C ATOM 75 C ALA A 5 -9.288 2.530 -6.760 1.00 0.00 C ATOM 76 O ALA A 5 -9.014 2.561 -7.964 1.00 0.00 O ATOM 77 CB ALA A 5 -10.454 4.811 -7.040 1.00 0.00 C ATOM 0 H ALA A 5 -9.074 5.162 -5.072 1.00 0.00 H new ATOM 0 HA ALA A 5 -11.031 3.152 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -10.940 4.413 -7.931 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -11.125 5.512 -6.543 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.538 5.327 -7.326 1.00 0.00 H new ATOM 83 N CYS A 6 -8.851 1.545 -5.974 1.00 0.00 N ATOM 84 CA CYS A 6 -7.937 0.476 -6.376 1.00 0.00 C ATOM 85 C CYS A 6 -8.568 -0.568 -7.329 1.00 0.00 C ATOM 86 O CYS A 6 -9.791 -0.759 -7.317 1.00 0.00 O ATOM 87 CB CYS A 6 -7.410 -0.191 -5.094 1.00 0.00 C ATOM 88 SG CYS A 6 -6.530 0.928 -3.965 1.00 0.00 S ATOM 0 H CYS A 6 -9.137 1.468 -4.998 1.00 0.00 H new ATOM 0 HA CYS A 6 -7.127 0.919 -6.955 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.250 -0.637 -4.561 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.741 -1.005 -5.373 1.00 0.00 H new ATOM 93 N PRO A 7 -7.750 -1.281 -8.132 1.00 0.00 N ATOM 94 CA PRO A 7 -8.219 -2.327 -9.046 1.00 0.00 C ATOM 95 C PRO A 7 -8.741 -3.580 -8.318 1.00 0.00 C ATOM 96 O PRO A 7 -8.374 -3.864 -7.173 1.00 0.00 O ATOM 97 CB PRO A 7 -7.018 -2.644 -9.947 1.00 0.00 C ATOM 98 CG PRO A 7 -5.811 -2.280 -9.085 1.00 0.00 C ATOM 99 CD PRO A 7 -6.311 -1.085 -8.285 1.00 0.00 C ATOM 0 HA PRO A 7 -9.079 -1.982 -9.619 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.001 -3.695 -10.236 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.043 -2.061 -10.867 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.514 -3.104 -8.437 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.943 -2.024 -9.693 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.819 -1.031 -7.314 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.097 -0.150 -8.803 1.00 0.00 H new ATOM 107 N LYS A 8 -9.568 -4.365 -9.025 1.00 0.00 N ATOM 108 CA LYS A 8 -10.167 -5.642 -8.574 1.00 0.00 C ATOM 109 C LYS A 8 -9.159 -6.799 -8.443 1.00 0.00 C ATOM 110 O LYS A 8 -9.478 -7.834 -7.855 1.00 0.00 O ATOM 111 CB LYS A 8 -11.294 -6.033 -9.554 1.00 0.00 C ATOM 112 CG LYS A 8 -12.497 -5.075 -9.500 1.00 0.00 C ATOM 113 CD LYS A 8 -13.519 -5.409 -10.599 1.00 0.00 C ATOM 114 CE LYS A 8 -14.744 -4.481 -10.566 1.00 0.00 C ATOM 115 NZ LYS A 8 -15.665 -4.796 -9.441 1.00 0.00 N ATOM 0 H LYS A 8 -9.854 -4.120 -9.973 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.554 -5.475 -7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.896 -6.051 -10.569 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.631 -7.044 -9.326 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.975 -5.141 -8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.153 -4.047 -9.619 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.037 -5.334 -11.574 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.847 -6.442 -10.484 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.411 -3.447 -10.480 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.285 -4.564 -11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.475 -4.143 -9.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.006 -5.774 -9.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.159 -4.691 -8.538 1.00 0.00 H new ATOM 129 N ILE A 9 -7.957 -6.638 -9.003 1.00 0.00 N ATOM 130 CA ILE A 9 -6.873 -7.633 -9.048 1.00 0.00 C ATOM 131 C ILE A 9 -6.354 -8.032 -7.663 1.00 0.00 C ATOM 132 O ILE A 9 -6.276 -7.230 -6.727 1.00 0.00 O ATOM 133 CB ILE A 9 -5.747 -7.105 -9.974 1.00 0.00 C ATOM 134 CG1 ILE A 9 -4.764 -8.186 -10.471 1.00 0.00 C ATOM 135 CG2 ILE A 9 -4.930 -5.990 -9.300 1.00 0.00 C ATOM 136 CD1 ILE A 9 -5.406 -9.279 -11.334 1.00 0.00 C ATOM 0 H ILE A 9 -7.696 -5.765 -9.462 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.275 -8.558 -9.461 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.284 -6.721 -10.841 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.973 -7.704 -11.046 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.290 -8.653 -9.608 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.151 -5.647 -9.981 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.587 -5.157 -9.051 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.472 -6.375 -8.389 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.644 -9.996 -11.639 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.176 -9.792 -10.758 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.855 -8.827 -12.219 1.00 0.00 H new ATOM 148 N LEU A 10 -5.958 -9.300 -7.575 1.00 0.00 N ATOM 149 CA LEU A 10 -5.503 -9.996 -6.384 1.00 0.00 C ATOM 150 C LEU A 10 -4.036 -10.417 -6.583 1.00 0.00 C ATOM 151 O LEU A 10 -3.738 -11.505 -7.081 1.00 0.00 O ATOM 152 CB LEU A 10 -6.500 -11.145 -6.131 1.00 0.00 C ATOM 153 CG LEU A 10 -6.111 -12.073 -4.977 1.00 0.00 C ATOM 154 CD1 LEU A 10 -6.066 -11.359 -3.624 1.00 0.00 C ATOM 155 CD2 LEU A 10 -7.097 -13.238 -4.876 1.00 0.00 C ATOM 0 H LEU A 10 -5.948 -9.907 -8.395 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.495 -9.379 -5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.482 -10.720 -5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.594 -11.736 -7.042 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.107 -12.432 -5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.785 -12.070 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.333 -10.553 -3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.049 -10.945 -3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.808 -13.889 -4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.100 -12.851 -4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.087 -13.805 -5.807 1.00 0.00 H new ATOM 167 N LYS A 11 -3.119 -9.515 -6.217 1.00 0.00 N ATOM 168 CA LYS A 11 -1.657 -9.701 -6.217 1.00 0.00 C ATOM 169 C LYS A 11 -1.079 -9.167 -4.893 1.00 0.00 C ATOM 170 O LYS A 11 -0.489 -8.083 -4.883 1.00 0.00 O ATOM 171 CB LYS A 11 -1.028 -9.022 -7.456 1.00 0.00 C ATOM 172 CG LYS A 11 -1.336 -9.705 -8.804 1.00 0.00 C ATOM 173 CD LYS A 11 -0.740 -11.115 -8.982 1.00 0.00 C ATOM 174 CE LYS A 11 0.793 -11.188 -8.889 1.00 0.00 C ATOM 175 NZ LYS A 11 1.469 -10.476 -10.006 1.00 0.00 N ATOM 0 H LYS A 11 -3.387 -8.585 -5.895 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.413 -10.761 -6.285 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.376 -7.990 -7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.053 -8.988 -7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.418 -9.769 -8.921 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.966 -9.068 -9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.167 -11.772 -8.224 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.049 -11.504 -9.952 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.116 -10.759 -7.941 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.104 -12.233 -8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.500 -10.556 -9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.184 -10.901 -10.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.196 -9.472 -9.993 1.00 0.00 H new ATOM 189 N PRO A 12 -1.266 -9.890 -3.769 1.00 0.00 N ATOM 190 CA PRO A 12 -0.839 -9.431 -2.449 1.00 0.00 C ATOM 191 C PRO A 12 0.693 -9.370 -2.353 1.00 0.00 C ATOM 192 O PRO A 12 1.375 -10.381 -2.539 1.00 0.00 O ATOM 193 CB PRO A 12 -1.475 -10.397 -1.444 1.00 0.00 C ATOM 194 CG PRO A 12 -1.657 -11.685 -2.245 1.00 0.00 C ATOM 195 CD PRO A 12 -1.931 -11.183 -3.664 1.00 0.00 C ATOM 0 HA PRO A 12 -1.166 -8.412 -2.241 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.833 -10.552 -0.577 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.427 -10.019 -1.072 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.766 -12.312 -2.205 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.485 -12.282 -1.863 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.545 -11.882 -4.406 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.002 -11.087 -3.844 1.00 0.00 H new ATOM 203 N VAL A 13 1.236 -8.179 -2.086 1.00 0.00 N ATOM 204 CA VAL A 13 2.683 -7.902 -2.042 1.00 0.00 C ATOM 205 C VAL A 13 3.157 -7.694 -0.602 1.00 0.00 C ATOM 206 O VAL A 13 2.393 -7.288 0.273 1.00 0.00 O ATOM 207 CB VAL A 13 3.098 -6.675 -2.895 1.00 0.00 C ATOM 208 CG1 VAL A 13 4.507 -6.863 -3.476 1.00 0.00 C ATOM 209 CG2 VAL A 13 2.174 -6.377 -4.082 1.00 0.00 C ATOM 0 H VAL A 13 0.669 -7.355 -1.888 1.00 0.00 H new ATOM 0 HA VAL A 13 3.164 -8.781 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 13 3.043 -5.840 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.775 -5.989 -4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.223 -6.982 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.524 -7.751 -4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.542 -5.503 -4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.156 -7.235 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.166 -6.180 -3.718 1.00 0.00 H new ATOM 219 N CYS A 14 4.445 -7.933 -0.372 1.00 0.00 N ATOM 220 CA CYS A 14 5.160 -7.641 0.868 1.00 0.00 C ATOM 221 C CYS A 14 5.589 -6.158 0.918 1.00 0.00 C ATOM 222 O CYS A 14 6.504 -5.738 0.208 1.00 0.00 O ATOM 223 CB CYS A 14 6.348 -8.611 0.997 1.00 0.00 C ATOM 224 SG CYS A 14 7.457 -8.745 -0.438 1.00 0.00 S ATOM 0 H CYS A 14 5.048 -8.356 -1.078 1.00 0.00 H new ATOM 0 HA CYS A 14 4.504 -7.793 1.725 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.943 -8.307 1.859 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.954 -9.603 1.216 1.00 0.00 H new ATOM 0 HG CYS A 14 8.405 -9.595 -0.176 1.00 0.00 H new ATOM 229 N GLY A 15 4.916 -5.347 1.741 1.00 0.00 N ATOM 230 CA GLY A 15 5.314 -3.964 2.019 1.00 0.00 C ATOM 231 C GLY A 15 6.610 -3.890 2.837 1.00 0.00 C ATOM 232 O GLY A 15 6.926 -4.803 3.605 1.00 0.00 O ATOM 0 H GLY A 15 4.073 -5.635 2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.448 -3.430 1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.514 -3.459 2.561 1.00 0.00 H new ATOM 236 N SER A 16 7.348 -2.784 2.709 1.00 0.00 N ATOM 237 CA SER A 16 8.725 -2.636 3.227 1.00 0.00 C ATOM 238 C SER A 16 8.892 -2.764 4.753 1.00 0.00 C ATOM 239 O SER A 16 10.002 -3.020 5.222 1.00 0.00 O ATOM 240 CB SER A 16 9.315 -1.298 2.768 1.00 0.00 C ATOM 241 OG SER A 16 9.484 -1.286 1.362 1.00 0.00 O ATOM 0 H SER A 16 7.006 -1.948 2.235 1.00 0.00 H new ATOM 0 HA SER A 16 9.264 -3.485 2.807 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.658 -0.482 3.068 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.275 -1.130 3.257 1.00 0.00 H new ATOM 0 HG SER A 16 8.624 -1.101 0.931 1.00 0.00 H new ATOM 247 N ASP A 17 7.819 -2.617 5.539 1.00 0.00 N ATOM 248 CA ASP A 17 7.820 -2.813 7.002 1.00 0.00 C ATOM 249 C ASP A 17 7.691 -4.292 7.442 1.00 0.00 C ATOM 250 O ASP A 17 7.900 -4.619 8.612 1.00 0.00 O ATOM 251 CB ASP A 17 6.692 -1.959 7.603 1.00 0.00 C ATOM 252 CG ASP A 17 6.775 -1.853 9.139 1.00 0.00 C ATOM 253 OD1 ASP A 17 7.789 -1.323 9.655 1.00 0.00 O ATOM 254 OD2 ASP A 17 5.807 -2.255 9.828 1.00 0.00 O ATOM 0 H ASP A 17 6.904 -2.353 5.173 1.00 0.00 H new ATOM 0 HA ASP A 17 8.793 -2.496 7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.731 -0.959 7.172 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.730 -2.389 7.325 1.00 0.00 H new ATOM 259 N GLY A 18 7.364 -5.197 6.511 1.00 0.00 N ATOM 260 CA GLY A 18 7.182 -6.641 6.726 1.00 0.00 C ATOM 261 C GLY A 18 5.721 -7.112 6.671 1.00 0.00 C ATOM 262 O GLY A 18 5.441 -8.277 6.967 1.00 0.00 O ATOM 0 H GLY A 18 7.211 -4.930 5.538 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.754 -7.183 5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.600 -6.907 7.697 1.00 0.00 H new ATOM 266 N ARG A 19 4.785 -6.220 6.316 1.00 0.00 N ATOM 267 CA ARG A 19 3.328 -6.449 6.302 1.00 0.00 C ATOM 268 C ARG A 19 2.811 -6.639 4.874 1.00 0.00 C ATOM 269 O ARG A 19 3.233 -5.925 3.964 1.00 0.00 O ATOM 270 CB ARG A 19 2.599 -5.276 6.988 1.00 0.00 C ATOM 271 CG ARG A 19 3.254 -4.835 8.310 1.00 0.00 C ATOM 272 CD ARG A 19 2.292 -4.056 9.218 1.00 0.00 C ATOM 273 NE ARG A 19 1.249 -4.928 9.799 1.00 0.00 N ATOM 274 CZ ARG A 19 0.248 -4.565 10.581 1.00 0.00 C ATOM 275 NH1 ARG A 19 0.059 -3.323 10.933 1.00 0.00 N ATOM 276 NH2 ARG A 19 -0.594 -5.450 11.033 1.00 0.00 N ATOM 0 H ARG A 19 5.031 -5.276 6.017 1.00 0.00 H new ATOM 0 HA ARG A 19 3.123 -7.365 6.856 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.570 -4.427 6.305 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.566 -5.564 7.182 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.617 -5.715 8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.123 -4.214 8.091 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.856 -3.581 10.021 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.819 -3.258 8.645 1.00 0.00 H new ATOM 0 HE ARG A 19 1.309 -5.920 9.571 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.695 -2.597 10.603 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.725 -3.078 11.538 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.484 -6.433 10.784 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.364 -5.160 11.636 1.00 0.00 H new ATOM 290 N THR A 20 1.902 -7.587 4.659 1.00 0.00 N ATOM 291 CA THR A 20 1.256 -7.824 3.360 1.00 0.00 C ATOM 292 C THR A 20 0.147 -6.805 3.064 1.00 0.00 C ATOM 293 O THR A 20 -0.630 -6.452 3.955 1.00 0.00 O ATOM 294 CB THR A 20 0.673 -9.245 3.300 1.00 0.00 C ATOM 295 OG1 THR A 20 0.000 -9.594 4.497 1.00 0.00 O ATOM 296 CG2 THR A 20 1.776 -10.282 3.077 1.00 0.00 C ATOM 0 H THR A 20 1.585 -8.224 5.390 1.00 0.00 H new ATOM 0 HA THR A 20 2.029 -7.708 2.600 1.00 0.00 H new ATOM 0 HB THR A 20 -0.031 -9.246 2.468 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.357 -10.503 4.418 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.336 -11.279 3.039 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.286 -10.074 2.136 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.493 -10.233 3.897 1.00 0.00 H new ATOM 304 N TYR A 21 0.031 -6.380 1.801 1.00 0.00 N ATOM 305 CA TYR A 21 -1.017 -5.477 1.297 1.00 0.00 C ATOM 306 C TYR A 21 -1.590 -5.962 -0.036 1.00 0.00 C ATOM 307 O TYR A 21 -0.871 -6.520 -0.864 1.00 0.00 O ATOM 308 CB TYR A 21 -0.458 -4.050 1.165 1.00 0.00 C ATOM 309 CG TYR A 21 -0.079 -3.399 2.483 1.00 0.00 C ATOM 310 CD1 TYR A 21 -1.080 -2.849 3.309 1.00 0.00 C ATOM 311 CD2 TYR A 21 1.267 -3.368 2.896 1.00 0.00 C ATOM 312 CE1 TYR A 21 -0.740 -2.285 4.555 1.00 0.00 C ATOM 313 CE2 TYR A 21 1.610 -2.806 4.140 1.00 0.00 C ATOM 314 CZ TYR A 21 0.607 -2.272 4.978 1.00 0.00 C ATOM 315 OH TYR A 21 0.943 -1.762 6.195 1.00 0.00 O ATOM 0 H TYR A 21 0.687 -6.664 1.073 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.836 -5.474 2.016 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.421 -4.076 0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.201 -3.427 0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.111 -2.860 2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 21 2.037 -3.776 2.258 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.509 -1.863 5.185 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.643 -2.783 4.454 1.00 0.00 H new ATOM 0 HH TYR A 21 1.912 -1.834 6.324 1.00 0.00 H new ATOM 325 N ALA A 22 -2.899 -5.758 -0.226 1.00 0.00 N ATOM 326 CA ALA A 22 -3.696 -6.440 -1.249 1.00 0.00 C ATOM 327 C ALA A 22 -3.218 -6.187 -2.694 1.00 0.00 C ATOM 328 O ALA A 22 -3.181 -7.111 -3.510 1.00 0.00 O ATOM 329 CB ALA A 22 -5.167 -6.038 -1.073 1.00 0.00 C ATOM 0 H ALA A 22 -3.442 -5.103 0.337 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.570 -7.512 -1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.774 -6.538 -1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.508 -6.332 -0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.265 -4.958 -1.186 1.00 0.00 H new ATOM 335 N ASN A 23 -2.841 -4.941 -2.996 1.00 0.00 N ATOM 336 CA ASN A 23 -2.055 -4.531 -4.165 1.00 0.00 C ATOM 337 C ASN A 23 -1.313 -3.202 -3.871 1.00 0.00 C ATOM 338 O ASN A 23 -1.495 -2.597 -2.811 1.00 0.00 O ATOM 339 CB ASN A 23 -2.962 -4.492 -5.419 1.00 0.00 C ATOM 340 CG ASN A 23 -4.288 -3.775 -5.223 1.00 0.00 C ATOM 341 OD1 ASN A 23 -4.348 -2.657 -4.732 1.00 0.00 O ATOM 342 ND2 ASN A 23 -5.389 -4.381 -5.615 1.00 0.00 N ATOM 0 H ASN A 23 -3.088 -4.150 -2.401 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.275 -5.262 -4.379 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.418 -4.006 -6.229 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.162 -5.515 -5.738 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.292 -3.918 -5.509 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.340 -5.314 -6.025 1.00 0.00 H new ATOM 349 N SER A 24 -0.455 -2.739 -4.786 1.00 0.00 N ATOM 350 CA SER A 24 0.383 -1.534 -4.598 1.00 0.00 C ATOM 351 C SER A 24 -0.411 -0.237 -4.377 1.00 0.00 C ATOM 352 O SER A 24 0.075 0.678 -3.710 1.00 0.00 O ATOM 353 CB SER A 24 1.325 -1.359 -5.794 1.00 0.00 C ATOM 354 OG SER A 24 0.580 -1.258 -6.999 1.00 0.00 O ATOM 0 H SER A 24 -0.316 -3.190 -5.690 1.00 0.00 H new ATOM 0 HA SER A 24 0.946 -1.707 -3.681 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.933 -0.465 -5.659 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.010 -2.205 -5.852 1.00 0.00 H new ATOM 0 HG SER A 24 1.194 -1.145 -7.755 1.00 0.00 H new ATOM 360 N CYS A 25 -1.649 -0.167 -4.876 1.00 0.00 N ATOM 361 CA CYS A 25 -2.593 0.920 -4.623 1.00 0.00 C ATOM 362 C CYS A 25 -2.868 1.096 -3.126 1.00 0.00 C ATOM 363 O CYS A 25 -2.563 2.147 -2.561 1.00 0.00 O ATOM 364 CB CYS A 25 -3.889 0.641 -5.384 1.00 0.00 C ATOM 365 SG CYS A 25 -5.188 1.883 -5.168 1.00 0.00 S ATOM 0 H CYS A 25 -2.031 -0.889 -5.486 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.154 1.853 -4.975 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.658 0.560 -6.446 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.277 -0.327 -5.067 1.00 0.00 H new ATOM 370 N ILE A 26 -3.434 0.069 -2.479 1.00 0.00 N ATOM 371 CA ILE A 26 -3.797 0.146 -1.052 1.00 0.00 C ATOM 372 C ILE A 26 -2.580 0.424 -0.155 1.00 0.00 C ATOM 373 O ILE A 26 -2.690 1.199 0.795 1.00 0.00 O ATOM 374 CB ILE A 26 -4.625 -1.078 -0.582 1.00 0.00 C ATOM 375 CG1 ILE A 26 -5.562 -0.626 0.563 1.00 0.00 C ATOM 376 CG2 ILE A 26 -3.767 -2.274 -0.136 1.00 0.00 C ATOM 377 CD1 ILE A 26 -6.556 -1.691 1.040 1.00 0.00 C ATOM 0 H ILE A 26 -3.652 -0.826 -2.918 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.455 1.009 -0.946 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.197 -1.436 -1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.952 -0.313 1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.121 0.250 0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.417 -3.091 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.144 -2.605 -0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.131 -1.975 0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.169 -1.283 1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.197 -1.989 0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.010 -2.560 1.407 1.00 0.00 H new ATOM 389 N ALA A 27 -1.409 -0.130 -0.494 1.00 0.00 N ATOM 390 CA ALA A 27 -0.145 0.134 0.194 1.00 0.00 C ATOM 391 C ALA A 27 0.208 1.634 0.172 1.00 0.00 C ATOM 392 O ALA A 27 0.329 2.257 1.231 1.00 0.00 O ATOM 393 CB ALA A 27 0.955 -0.737 -0.429 1.00 0.00 C ATOM 0 H ALA A 27 -1.315 -0.786 -1.269 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.242 -0.133 1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.901 -0.546 0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.691 -1.789 -0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.055 -0.495 -1.487 1.00 0.00 H new ATOM 399 N ARG A 28 0.326 2.233 -1.023 1.00 0.00 N ATOM 400 CA ARG A 28 0.647 3.664 -1.195 1.00 0.00 C ATOM 401 C ARG A 28 -0.432 4.597 -0.639 1.00 0.00 C ATOM 402 O ARG A 28 -0.096 5.634 -0.066 1.00 0.00 O ATOM 403 CB ARG A 28 0.927 3.976 -2.672 1.00 0.00 C ATOM 404 CG ARG A 28 2.243 3.341 -3.158 1.00 0.00 C ATOM 405 CD ARG A 28 2.663 3.875 -4.532 1.00 0.00 C ATOM 406 NE ARG A 28 1.660 3.586 -5.579 1.00 0.00 N ATOM 407 CZ ARG A 28 1.492 4.232 -6.721 1.00 0.00 C ATOM 408 NH1 ARG A 28 2.256 5.228 -7.074 1.00 0.00 N ATOM 409 NH2 ARG A 28 0.541 3.890 -7.542 1.00 0.00 N ATOM 0 H ARG A 28 0.201 1.737 -1.905 1.00 0.00 H new ATOM 0 HA ARG A 28 1.546 3.854 -0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.101 3.610 -3.282 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.973 5.056 -2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.032 3.542 -2.434 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.126 2.258 -3.210 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.818 4.952 -4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.618 3.432 -4.815 1.00 0.00 H new ATOM 0 HE ARG A 28 1.030 2.804 -5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.013 5.532 -6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.097 5.703 -7.963 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.083 3.118 -7.307 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.420 4.394 -8.420 1.00 0.00 H new ATOM 423 N CYS A 29 -1.709 4.224 -0.756 1.00 0.00 N ATOM 424 CA CYS A 29 -2.835 4.955 -0.164 1.00 0.00 C ATOM 425 C CYS A 29 -2.737 5.001 1.376 1.00 0.00 C ATOM 426 O CYS A 29 -2.958 6.050 1.987 1.00 0.00 O ATOM 427 CB CYS A 29 -4.156 4.307 -0.605 1.00 0.00 C ATOM 428 SG CYS A 29 -5.609 5.382 -0.441 1.00 0.00 S ATOM 0 H CYS A 29 -1.995 3.393 -1.273 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.801 5.985 -0.519 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.065 3.996 -1.646 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.318 3.404 -0.016 1.00 0.00 H new ATOM 433 N ASN A 30 -2.380 3.872 2.006 1.00 0.00 N ATOM 434 CA ASN A 30 -2.170 3.750 3.451 1.00 0.00 C ATOM 435 C ASN A 30 -0.911 4.504 3.936 1.00 0.00 C ATOM 436 O ASN A 30 -0.990 5.267 4.903 1.00 0.00 O ATOM 437 CB ASN A 30 -2.113 2.254 3.807 1.00 0.00 C ATOM 438 CG ASN A 30 -1.976 2.025 5.303 1.00 0.00 C ATOM 439 OD1 ASN A 30 -0.884 1.948 5.848 1.00 0.00 O ATOM 440 ND2 ASN A 30 -3.074 1.911 6.017 1.00 0.00 N ATOM 0 H ASN A 30 -2.226 2.996 1.508 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.004 4.222 3.970 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.017 1.762 3.447 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.271 1.791 3.292 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.014 1.759 7.024 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.986 1.975 5.564 1.00 0.00 H new ATOM 447 N GLY A 31 0.236 4.303 3.272 1.00 0.00 N ATOM 448 CA GLY A 31 1.520 4.947 3.597 1.00 0.00 C ATOM 449 C GLY A 31 2.770 4.054 3.503 1.00 0.00 C ATOM 450 O GLY A 31 3.763 4.340 4.178 1.00 0.00 O ATOM 0 H GLY A 31 0.300 3.672 2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.656 5.798 2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.458 5.344 4.610 1.00 0.00 H new ATOM 454 N VAL A 32 2.748 2.977 2.707 1.00 0.00 N ATOM 455 CA VAL A 32 3.833 1.998 2.533 1.00 0.00 C ATOM 456 C VAL A 32 4.102 1.797 1.037 1.00 0.00 C ATOM 457 O VAL A 32 3.219 1.952 0.194 1.00 0.00 O ATOM 458 CB VAL A 32 3.479 0.655 3.216 1.00 0.00 C ATOM 459 CG1 VAL A 32 4.637 -0.357 3.192 1.00 0.00 C ATOM 460 CG2 VAL A 32 3.099 0.850 4.691 1.00 0.00 C ATOM 0 H VAL A 32 1.932 2.752 2.137 1.00 0.00 H new ATOM 0 HA VAL A 32 4.737 2.379 3.009 1.00 0.00 H new ATOM 0 HB VAL A 32 2.638 0.269 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.326 -1.278 3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.909 -0.574 2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.497 0.062 3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.857 -0.116 5.135 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.937 1.296 5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.233 1.508 4.760 1.00 0.00 H new ATOM 470 N SER A 33 5.332 1.417 0.719 1.00 0.00 N ATOM 471 CA SER A 33 5.843 1.167 -0.637 1.00 0.00 C ATOM 472 C SER A 33 6.654 -0.135 -0.718 1.00 0.00 C ATOM 473 O SER A 33 6.983 -0.748 0.303 1.00 0.00 O ATOM 474 CB SER A 33 6.696 2.363 -1.101 1.00 0.00 C ATOM 475 OG SER A 33 5.912 3.544 -1.185 1.00 0.00 O ATOM 0 H SER A 33 6.044 1.265 1.433 1.00 0.00 H new ATOM 0 HA SER A 33 4.986 1.052 -1.300 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.521 2.518 -0.405 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.137 2.145 -2.074 1.00 0.00 H new ATOM 0 HG SER A 33 6.475 4.290 -1.480 1.00 0.00 H new ATOM 481 N ILE A 34 6.993 -0.550 -1.943 1.00 0.00 N ATOM 482 CA ILE A 34 7.747 -1.775 -2.276 1.00 0.00 C ATOM 483 C ILE A 34 9.090 -1.441 -2.982 1.00 0.00 C ATOM 484 O ILE A 34 9.846 -2.334 -3.367 1.00 0.00 O ATOM 485 CB ILE A 34 6.846 -2.761 -3.081 1.00 0.00 C ATOM 486 CG1 ILE A 34 5.374 -2.826 -2.578 1.00 0.00 C ATOM 487 CG2 ILE A 34 7.404 -4.197 -3.011 1.00 0.00 C ATOM 488 CD1 ILE A 34 4.412 -1.858 -3.284 1.00 0.00 C ATOM 0 H ILE A 34 6.739 -0.017 -2.775 1.00 0.00 H new ATOM 0 HA ILE A 34 8.024 -2.285 -1.354 1.00 0.00 H new ATOM 0 HB ILE A 34 6.853 -2.369 -4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.004 -3.843 -2.708 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.360 -2.616 -1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.759 -4.866 -3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.409 -4.218 -3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.439 -4.523 -1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.411 -1.973 -2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.752 -0.833 -3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.390 -2.080 -4.351 1.00 0.00 H new ATOM 500 N LYS A 35 9.420 -0.146 -3.132 1.00 0.00 N ATOM 501 CA LYS A 35 10.630 0.395 -3.789 1.00 0.00 C ATOM 502 C LYS A 35 11.925 -0.260 -3.291 1.00 0.00 C ATOM 503 O LYS A 35 12.675 -0.837 -4.080 1.00 0.00 O ATOM 504 CB LYS A 35 10.655 1.928 -3.596 1.00 0.00 C ATOM 505 CG LYS A 35 11.940 2.615 -4.097 1.00 0.00 C ATOM 506 CD LYS A 35 12.082 2.552 -5.628 1.00 0.00 C ATOM 507 CE LYS A 35 13.306 3.328 -6.139 1.00 0.00 C ATOM 508 NZ LYS A 35 14.590 2.648 -5.815 1.00 0.00 N ATOM 0 H LYS A 35 8.816 0.596 -2.779 1.00 0.00 H new ATOM 0 HA LYS A 35 10.580 0.158 -4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.800 2.361 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.529 2.150 -2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.939 3.657 -3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.806 2.141 -3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.160 1.510 -5.940 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.181 2.956 -6.090 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.228 3.453 -7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.307 4.326 -5.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.383 3.212 -6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.681 2.551 -4.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.604 1.705 -6.254 1.00 0.00 H new ATOM 522 N SER A 36 12.207 -0.106 -1.999 1.00 0.00 N ATOM 523 CA SER A 36 13.389 -0.634 -1.312 1.00 0.00 C ATOM 524 C SER A 36 13.104 -0.781 0.186 1.00 0.00 C ATOM 525 O SER A 36 12.594 0.140 0.829 1.00 0.00 O ATOM 526 CB SER A 36 14.591 0.292 -1.531 1.00 0.00 C ATOM 527 OG SER A 36 15.776 -0.339 -1.076 1.00 0.00 O ATOM 0 H SER A 36 11.592 0.413 -1.372 1.00 0.00 H new ATOM 0 HA SER A 36 13.624 -1.615 -1.726 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.683 0.538 -2.589 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.440 1.230 -0.997 1.00 0.00 H new ATOM 0 HG SER A 36 16.540 0.257 -1.220 1.00 0.00 H new ATOM 533 N GLU A 37 13.402 -1.960 0.728 1.00 0.00 N ATOM 534 CA GLU A 37 13.196 -2.312 2.143 1.00 0.00 C ATOM 535 C GLU A 37 14.125 -1.535 3.105 1.00 0.00 C ATOM 536 O GLU A 37 15.095 -0.891 2.691 1.00 0.00 O ATOM 537 CB GLU A 37 13.372 -3.831 2.332 1.00 0.00 C ATOM 538 CG GLU A 37 12.321 -4.649 1.570 1.00 0.00 C ATOM 539 CD GLU A 37 12.468 -6.152 1.871 1.00 0.00 C ATOM 540 OE1 GLU A 37 11.843 -6.647 2.841 1.00 0.00 O ATOM 541 OE2 GLU A 37 13.207 -6.855 1.137 1.00 0.00 O ATOM 0 H GLU A 37 13.805 -2.723 0.184 1.00 0.00 H new ATOM 0 HA GLU A 37 12.178 -2.021 2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.367 -4.122 1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.313 -4.070 3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.322 -4.314 1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.427 -4.477 0.499 1.00 0.00 H new ATOM 548 N GLY A 38 13.854 -1.615 4.415 1.00 0.00 N ATOM 549 CA GLY A 38 14.619 -0.919 5.463 1.00 0.00 C ATOM 550 C GLY A 38 16.053 -1.432 5.693 1.00 0.00 C ATOM 551 O GLY A 38 16.840 -0.765 6.370 1.00 0.00 O ATOM 0 H GLY A 38 13.085 -2.174 4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.668 0.140 5.209 1.00 0.00 H new ATOM 0 HA3 GLY A 38 14.070 -0.997 6.401 1.00 0.00 H new ATOM 555 N SER A 39 16.407 -2.592 5.131 1.00 0.00 N ATOM 556 CA SER A 39 17.757 -3.182 5.136 1.00 0.00 C ATOM 557 C SER A 39 18.036 -3.997 3.862 1.00 0.00 C ATOM 558 O SER A 39 17.117 -4.331 3.105 1.00 0.00 O ATOM 559 CB SER A 39 17.944 -4.054 6.388 1.00 0.00 C ATOM 560 OG SER A 39 17.029 -5.141 6.407 1.00 0.00 O ATOM 0 H SER A 39 15.732 -3.175 4.636 1.00 0.00 H new ATOM 0 HA SER A 39 18.477 -2.364 5.156 1.00 0.00 H new ATOM 0 HB2 SER A 39 18.965 -4.436 6.418 1.00 0.00 H new ATOM 0 HB3 SER A 39 17.805 -3.445 7.281 1.00 0.00 H new ATOM 0 HG SER A 39 17.175 -5.677 7.214 1.00 0.00 H new ATOM 566 N CYS A 40 19.310 -4.321 3.615 1.00 0.00 N ATOM 567 CA CYS A 40 19.771 -5.117 2.470 1.00 0.00 C ATOM 568 C CYS A 40 21.020 -5.969 2.818 1.00 0.00 C ATOM 569 O CYS A 40 22.135 -5.651 2.388 1.00 0.00 O ATOM 570 CB CYS A 40 19.980 -4.183 1.262 1.00 0.00 C ATOM 571 SG CYS A 40 21.020 -2.717 1.537 1.00 0.00 S ATOM 0 H CYS A 40 20.073 -4.028 4.225 1.00 0.00 H new ATOM 0 HA CYS A 40 19.007 -5.847 2.202 1.00 0.00 H new ATOM 0 HB2 CYS A 40 20.420 -4.766 0.453 1.00 0.00 H new ATOM 0 HB3 CYS A 40 19.002 -3.847 0.918 1.00 0.00 H new ATOM 0 HG CYS A 40 21.105 -2.032 0.435 1.00 0.00 H new ATOM 576 N PRO A 41 20.872 -7.050 3.614 1.00 0.00 N ATOM 577 CA PRO A 41 21.978 -7.923 4.018 1.00 0.00 C ATOM 578 C PRO A 41 22.419 -8.870 2.880 1.00 0.00 C ATOM 579 O PRO A 41 22.003 -10.029 2.811 1.00 0.00 O ATOM 580 CB PRO A 41 21.458 -8.660 5.260 1.00 0.00 C ATOM 581 CG PRO A 41 19.958 -8.780 4.991 1.00 0.00 C ATOM 582 CD PRO A 41 19.634 -7.476 4.262 1.00 0.00 C ATOM 0 HA PRO A 41 22.885 -7.364 4.246 1.00 0.00 H new ATOM 0 HB2 PRO A 41 21.926 -9.638 5.374 1.00 0.00 H new ATOM 0 HB3 PRO A 41 21.660 -8.101 6.174 1.00 0.00 H new ATOM 0 HG2 PRO A 41 19.726 -9.652 4.380 1.00 0.00 H new ATOM 0 HG3 PRO A 41 19.389 -8.878 5.915 1.00 0.00 H new ATOM 0 HD2 PRO A 41 18.843 -7.627 3.528 1.00 0.00 H new ATOM 0 HD3 PRO A 41 19.280 -6.718 4.960 1.00 0.00 H new ATOM 590 N THR A 42 23.290 -8.394 1.985 1.00 0.00 N ATOM 591 CA THR A 42 23.897 -9.140 0.854 1.00 0.00 C ATOM 592 C THR A 42 24.987 -10.139 1.315 1.00 0.00 C ATOM 593 O THR A 42 26.068 -10.239 0.730 1.00 0.00 O ATOM 594 CB THR A 42 24.443 -8.158 -0.212 1.00 0.00 C ATOM 595 OG1 THR A 42 23.598 -7.030 -0.361 1.00 0.00 O ATOM 596 CG2 THR A 42 24.537 -8.781 -1.610 1.00 0.00 C ATOM 0 H THR A 42 23.614 -7.428 2.023 1.00 0.00 H new ATOM 0 HA THR A 42 23.107 -9.739 0.401 1.00 0.00 H new ATOM 0 HB THR A 42 25.433 -7.885 0.154 1.00 0.00 H new ATOM 0 HG1 THR A 42 23.971 -6.429 -1.039 1.00 0.00 H new ATOM 0 HG21 THR A 42 24.926 -8.043 -2.312 1.00 0.00 H new ATOM 0 HG22 THR A 42 25.205 -9.642 -1.581 1.00 0.00 H new ATOM 0 HG23 THR A 42 23.546 -9.102 -1.933 1.00 0.00 H new ATOM 604 N GLY A 43 24.721 -10.873 2.401 1.00 0.00 N ATOM 605 CA GLY A 43 25.661 -11.742 3.121 1.00 0.00 C ATOM 606 C GLY A 43 26.541 -10.977 4.122 1.00 0.00 C ATOM 607 O GLY A 43 26.973 -9.849 3.857 1.00 0.00 O ATOM 0 H GLY A 43 23.793 -10.878 2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 43 25.101 -12.512 3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 43 26.300 -12.253 2.400 1.00 0.00 H new ATOM 611 N ILE A 44 26.820 -11.608 5.271 1.00 0.00 N ATOM 612 CA ILE A 44 27.643 -11.108 6.396 1.00 0.00 C ATOM 613 C ILE A 44 28.564 -12.192 6.982 1.00 0.00 C ATOM 614 O ILE A 44 29.627 -11.825 7.532 1.00 0.00 O ATOM 615 CB ILE A 44 26.772 -10.454 7.500 1.00 0.00 C ATOM 616 CG1 ILE A 44 25.672 -11.398 8.041 1.00 0.00 C ATOM 617 CG2 ILE A 44 26.176 -9.133 6.980 1.00 0.00 C ATOM 618 CD1 ILE A 44 24.951 -10.853 9.281 1.00 0.00 C ATOM 619 OXT ILE A 44 28.241 -13.399 6.874 1.00 0.00 O ATOM 0 H ILE A 44 26.456 -12.542 5.458 1.00 0.00 H new ATOM 0 HA ILE A 44 28.289 -10.335 5.981 1.00 0.00 H new ATOM 0 HB ILE A 44 27.423 -10.243 8.349 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.939 -11.577 7.254 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.119 -12.361 8.285 1.00 0.00 H new ATOM 0 HG21 ILE A 44 25.565 -8.678 7.759 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.983 -8.452 6.707 1.00 0.00 H new ATOM 0 HG23 ILE A 44 25.558 -9.332 6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 44 24.194 -11.567 9.605 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.672 -10.700 10.084 1.00 0.00 H new ATOM 0 HD13 ILE A 44 24.474 -9.904 9.037 1.00 0.00 H new TER 631 ILE A 44