USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 426 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+ -156:sc= -0.0625 (180deg=-0.576) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -170:sc= -0.505 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= 0.114 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -9.99! C(o=-10!,f=-9.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 78:sc= 0.414 USER MOD Single : A 29 SER OG : rot 86:sc= 0.996 USER MOD Single : A 30 ASN : amide:sc= -0.657 K(o=-0.66,f=-2.7!) USER MOD Single : A 35 LYS NZ :NH3+ -133:sc= 0.925 (180deg=-0.614) USER MOD Single : A 38 HIS : no HD1:sc= -0.692 X(o=-0.69,f=-0.4) USER MOD Single : A 41 GLN :FLIP amide:sc=-0.00178 F(o=-1.3!,f=-0.0018) USER MOD Single : A 42 SER OG : rot 92:sc= 0.113 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -20.656 6.537 -5.219 1.00 0.00 N ATOM 2 CA LYS A 1 -19.297 6.791 -4.658 1.00 0.00 C ATOM 3 C LYS A 1 -19.068 5.893 -3.449 1.00 0.00 C ATOM 4 O LYS A 1 -19.835 5.922 -2.488 1.00 0.00 O ATOM 5 CB LYS A 1 -19.180 8.262 -4.255 1.00 0.00 C ATOM 6 CG LYS A 1 -19.212 9.131 -5.515 1.00 0.00 C ATOM 7 CD LYS A 1 -19.186 10.618 -5.135 1.00 0.00 C ATOM 8 CE LYS A 1 -17.758 11.052 -4.779 1.00 0.00 C ATOM 9 NZ LYS A 1 -17.710 12.536 -4.663 1.00 0.00 N ATOM 0 H1 LYS A 1 -20.674 6.810 -6.222 1.00 0.00 H new ATOM 0 H2 LYS A 1 -20.884 5.526 -5.131 1.00 0.00 H new ATOM 0 H3 LYS A 1 -21.358 7.097 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 1 -18.541 6.568 -5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -19.998 8.536 -3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -18.253 8.429 -3.707 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -18.358 8.895 -6.150 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -20.109 8.912 -6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -19.560 11.219 -5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -19.849 10.796 -4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -17.449 10.592 -3.840 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -17.061 10.713 -5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -16.743 12.834 -4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -17.988 12.964 -5.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -18.365 12.847 -3.917 1.00 0.00 H new ATOM 25 N ASP A 2 -18.004 5.097 -3.503 1.00 0.00 N ATOM 26 CA ASP A 2 -17.681 4.200 -2.404 1.00 0.00 C ATOM 27 C ASP A 2 -17.089 4.992 -1.252 1.00 0.00 C ATOM 28 O ASP A 2 -17.625 4.993 -0.143 1.00 0.00 O ATOM 29 CB ASP A 2 -16.682 3.141 -2.873 1.00 0.00 C ATOM 30 CG ASP A 2 -15.476 3.816 -3.516 1.00 0.00 C ATOM 31 OD1 ASP A 2 -15.659 4.856 -4.127 1.00 0.00 O ATOM 32 OD2 ASP A 2 -14.386 3.284 -3.387 1.00 0.00 O ATOM 0 H ASP A 2 -17.357 5.056 -4.290 1.00 0.00 H new ATOM 0 HA ASP A 2 -18.592 3.705 -2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.361 2.531 -2.028 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -17.158 2.470 -3.588 1.00 0.00 H new ATOM 37 N ILE A 3 -15.994 5.691 -1.532 1.00 0.00 N ATOM 38 CA ILE A 3 -15.336 6.523 -0.529 1.00 0.00 C ATOM 39 C ILE A 3 -14.825 5.681 0.653 1.00 0.00 C ATOM 40 O ILE A 3 -13.873 6.067 1.332 1.00 0.00 O ATOM 41 CB ILE A 3 -16.330 7.640 -0.076 1.00 0.00 C ATOM 42 CG1 ILE A 3 -15.803 9.022 -0.507 1.00 0.00 C ATOM 43 CG2 ILE A 3 -16.564 7.633 1.449 1.00 0.00 C ATOM 44 CD1 ILE A 3 -14.570 9.408 0.324 1.00 0.00 C ATOM 0 H ILE A 3 -15.542 5.698 -2.447 1.00 0.00 H new ATOM 0 HA ILE A 3 -14.454 6.993 -0.963 1.00 0.00 H new ATOM 0 HB ILE A 3 -17.285 7.435 -0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -15.545 9.006 -1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -16.584 9.772 -0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -17.262 8.427 1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -16.979 6.671 1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -15.617 7.796 1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -14.210 10.387 0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -14.840 9.445 1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -13.785 8.667 0.176 1.00 0.00 H new ATOM 56 N ASP A 4 -15.455 4.540 0.892 1.00 0.00 N ATOM 57 CA ASP A 4 -15.053 3.669 1.983 1.00 0.00 C ATOM 58 C ASP A 4 -13.604 3.250 1.808 1.00 0.00 C ATOM 59 O ASP A 4 -12.904 2.960 2.776 1.00 0.00 O ATOM 60 CB ASP A 4 -15.948 2.441 1.988 1.00 0.00 C ATOM 61 CG ASP A 4 -15.475 1.442 3.038 1.00 0.00 C ATOM 62 OD1 ASP A 4 -14.656 1.818 3.861 1.00 0.00 O ATOM 63 OD2 ASP A 4 -15.939 0.314 3.006 1.00 0.00 O ATOM 0 H ASP A 4 -16.245 4.198 0.345 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.150 4.201 2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.977 2.734 2.194 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -15.941 1.974 1.003 1.00 0.00 H new ATOM 68 N GLY A 5 -13.161 3.219 0.554 1.00 0.00 N ATOM 69 CA GLY A 5 -11.791 2.836 0.236 1.00 0.00 C ATOM 70 C GLY A 5 -11.710 1.360 -0.077 1.00 0.00 C ATOM 71 O GLY A 5 -11.253 0.563 0.745 1.00 0.00 O ATOM 0 H GLY A 5 -13.732 3.455 -0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.435 3.414 -0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.138 3.071 1.076 1.00 0.00 H new ATOM 75 N ARG A 6 -12.194 0.990 -1.254 1.00 0.00 N ATOM 76 CA ARG A 6 -12.217 -0.408 -1.662 1.00 0.00 C ATOM 77 C ARG A 6 -11.671 -0.611 -3.078 1.00 0.00 C ATOM 78 O ARG A 6 -12.221 -1.379 -3.867 1.00 0.00 O ATOM 79 CB ARG A 6 -13.656 -0.923 -1.550 1.00 0.00 C ATOM 80 CG ARG A 6 -14.653 0.169 -1.984 1.00 0.00 C ATOM 81 CD ARG A 6 -14.519 0.453 -3.482 1.00 0.00 C ATOM 82 NE ARG A 6 -14.521 -0.789 -4.241 1.00 0.00 N ATOM 83 CZ ARG A 6 -14.203 -0.802 -5.531 1.00 0.00 C ATOM 84 NH1 ARG A 6 -13.869 0.310 -6.131 1.00 0.00 N ATOM 85 NH2 ARG A 6 -14.221 -1.924 -6.198 1.00 0.00 N ATOM 0 H ARG A 6 -12.576 1.638 -1.943 1.00 0.00 H new ATOM 0 HA ARG A 6 -11.562 -0.976 -1.001 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -13.782 -1.808 -2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -13.862 -1.225 -0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -15.671 -0.149 -1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.471 1.082 -1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.341 1.089 -3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -13.596 1.001 -3.673 1.00 0.00 H new ATOM 0 HE ARG A 6 -14.770 -1.662 -3.776 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -13.853 1.186 -5.609 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -13.625 0.302 -7.121 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -14.479 -2.792 -5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -13.977 -1.933 -7.188 1.00 0.00 H new ATOM 99 N LYS A 7 -10.585 0.078 -3.388 1.00 0.00 N ATOM 100 CA LYS A 7 -9.954 -0.020 -4.709 1.00 0.00 C ATOM 101 C LYS A 7 -8.470 -0.385 -4.589 1.00 0.00 C ATOM 102 O LYS A 7 -7.628 0.190 -5.277 1.00 0.00 O ATOM 103 CB LYS A 7 -10.092 1.325 -5.441 1.00 0.00 C ATOM 104 CG LYS A 7 -9.876 1.132 -6.956 1.00 0.00 C ATOM 105 CD LYS A 7 -11.205 0.784 -7.637 1.00 0.00 C ATOM 106 CE LYS A 7 -10.957 0.518 -9.121 1.00 0.00 C ATOM 107 NZ LYS A 7 -12.261 0.455 -9.835 1.00 0.00 N ATOM 0 H LYS A 7 -10.115 0.716 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.456 -0.807 -5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.080 1.747 -5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.364 2.036 -5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.463 2.042 -7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.150 0.337 -7.130 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.649 -0.094 -7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.914 1.603 -7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.335 1.307 -9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.414 -0.419 -9.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.095 0.274 -10.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.839 -0.312 -9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.762 1.359 -9.723 1.00 0.00 H new ATOM 121 N PRO A 8 -8.136 -1.329 -3.744 1.00 0.00 N ATOM 122 CA PRO A 8 -6.720 -1.779 -3.551 1.00 0.00 C ATOM 123 C PRO A 8 -6.187 -2.530 -4.774 1.00 0.00 C ATOM 124 O PRO A 8 -6.958 -3.098 -5.546 1.00 0.00 O ATOM 125 CB PRO A 8 -6.804 -2.691 -2.320 1.00 0.00 C ATOM 126 CG PRO A 8 -8.198 -3.218 -2.343 1.00 0.00 C ATOM 127 CD PRO A 8 -9.063 -2.081 -2.879 1.00 0.00 C ATOM 0 HA PRO A 8 -6.029 -0.947 -3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.073 -3.498 -2.373 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.603 -2.139 -1.402 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.272 -4.100 -2.980 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.520 -3.517 -1.345 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.920 -2.457 -3.438 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.455 -1.460 -2.074 1.00 0.00 H new ATOM 135 N LEU A 9 -4.864 -2.511 -4.952 1.00 0.00 N ATOM 136 CA LEU A 9 -4.235 -3.177 -6.102 1.00 0.00 C ATOM 137 C LEU A 9 -3.085 -4.086 -5.653 1.00 0.00 C ATOM 138 O LEU A 9 -2.113 -3.615 -5.068 1.00 0.00 O ATOM 139 CB LEU A 9 -3.690 -2.099 -7.054 1.00 0.00 C ATOM 140 CG LEU A 9 -3.514 -2.661 -8.473 1.00 0.00 C ATOM 141 CD1 LEU A 9 -3.054 -1.535 -9.401 1.00 0.00 C ATOM 142 CD2 LEU A 9 -2.470 -3.788 -8.478 1.00 0.00 C ATOM 0 H LEU A 9 -4.210 -2.047 -4.322 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.980 -3.794 -6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.372 -1.249 -7.077 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.734 -1.730 -6.683 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.466 -3.066 -8.818 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.926 -1.925 -10.411 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.802 -0.742 -9.410 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.105 -1.134 -9.044 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.357 -4.175 -9.491 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.513 -3.399 -8.130 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.798 -4.590 -7.817 1.00 0.00 H new ATOM 154 N LEU A 10 -3.187 -5.383 -5.960 1.00 0.00 N ATOM 155 CA LEU A 10 -2.133 -6.343 -5.611 1.00 0.00 C ATOM 156 C LEU A 10 -1.163 -6.469 -6.779 1.00 0.00 C ATOM 157 O LEU A 10 -1.572 -6.738 -7.907 1.00 0.00 O ATOM 158 CB LEU A 10 -2.759 -7.707 -5.291 1.00 0.00 C ATOM 159 CG LEU A 10 -1.711 -8.658 -4.675 1.00 0.00 C ATOM 160 CD1 LEU A 10 -2.432 -9.815 -3.977 1.00 0.00 C ATOM 161 CD2 LEU A 10 -0.759 -9.217 -5.756 1.00 0.00 C ATOM 0 H LEU A 10 -3.984 -5.792 -6.447 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.592 -5.992 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.591 -7.577 -4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.167 -8.148 -6.201 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.114 -8.097 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.697 -10.491 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.076 -9.421 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.037 -10.358 -4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.032 -9.883 -5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.335 -9.769 -6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.237 -8.393 -6.242 1.00 0.00 H new ATOM 173 N ILE A 11 0.131 -6.259 -6.509 1.00 0.00 N ATOM 174 CA ILE A 11 1.151 -6.336 -7.557 1.00 0.00 C ATOM 175 C ILE A 11 1.932 -7.641 -7.464 1.00 0.00 C ATOM 176 O ILE A 11 2.138 -8.324 -8.467 1.00 0.00 O ATOM 177 CB ILE A 11 2.110 -5.135 -7.444 1.00 0.00 C ATOM 178 CG1 ILE A 11 2.348 -4.795 -5.971 1.00 0.00 C ATOM 179 CG2 ILE A 11 1.512 -3.908 -8.134 1.00 0.00 C ATOM 180 CD1 ILE A 11 3.431 -3.706 -5.838 1.00 0.00 C ATOM 0 H ILE A 11 0.493 -6.036 -5.582 1.00 0.00 H new ATOM 0 HA ILE A 11 0.652 -6.308 -8.525 1.00 0.00 H new ATOM 0 HB ILE A 11 3.051 -5.404 -7.924 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.419 -4.450 -5.516 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.655 -5.690 -5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.202 -3.068 -8.045 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.343 -4.129 -9.188 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.564 -3.651 -7.661 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.588 -3.476 -4.784 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.363 -4.065 -6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.108 -2.806 -6.362 1.00 0.00 H new ATOM 192 N GLY A 12 2.370 -7.980 -6.259 1.00 0.00 N ATOM 193 CA GLY A 12 3.132 -9.202 -6.063 1.00 0.00 C ATOM 194 C GLY A 12 3.213 -9.572 -4.592 1.00 0.00 C ATOM 195 O GLY A 12 2.224 -9.515 -3.862 1.00 0.00 O ATOM 0 H GLY A 12 2.213 -7.432 -5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.668 -10.016 -6.620 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.137 -9.074 -6.464 1.00 0.00 H new ATOM 199 N THR A 13 4.414 -9.953 -4.175 1.00 0.00 N ATOM 200 CA THR A 13 4.669 -10.344 -2.790 1.00 0.00 C ATOM 201 C THR A 13 5.975 -9.738 -2.307 1.00 0.00 C ATOM 202 O THR A 13 6.832 -9.365 -3.108 1.00 0.00 O ATOM 203 CB THR A 13 4.745 -11.869 -2.680 1.00 0.00 C ATOM 204 OG1 THR A 13 5.826 -12.345 -3.468 1.00 0.00 O ATOM 205 CG2 THR A 13 3.442 -12.487 -3.176 1.00 0.00 C ATOM 0 H THR A 13 5.234 -10.000 -4.780 1.00 0.00 H new ATOM 0 HA THR A 13 3.851 -9.977 -2.170 1.00 0.00 H new ATOM 0 HB THR A 13 4.901 -12.149 -1.638 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.782 -13.322 -3.527 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.501 -13.572 -3.096 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.613 -12.123 -2.570 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.280 -12.208 -4.217 1.00 0.00 H new ATOM 213 N CYS A 14 6.127 -9.651 -0.996 1.00 0.00 N ATOM 214 CA CYS A 14 7.345 -9.093 -0.424 1.00 0.00 C ATOM 215 C CYS A 14 8.563 -9.868 -0.928 1.00 0.00 C ATOM 216 O CYS A 14 9.701 -9.439 -0.740 1.00 0.00 O ATOM 217 CB CYS A 14 7.272 -9.139 1.120 1.00 0.00 C ATOM 218 SG CYS A 14 6.978 -7.476 1.786 1.00 0.00 S ATOM 0 H CYS A 14 5.433 -9.955 -0.313 1.00 0.00 H new ATOM 0 HA CYS A 14 7.443 -8.053 -0.736 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.472 -9.810 1.433 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.202 -9.541 1.523 1.00 0.00 H new ATOM 223 N ILE A 15 8.318 -11.006 -1.576 1.00 0.00 N ATOM 224 CA ILE A 15 9.404 -11.815 -2.101 1.00 0.00 C ATOM 225 C ILE A 15 10.062 -11.098 -3.266 1.00 0.00 C ATOM 226 O ILE A 15 11.286 -11.077 -3.399 1.00 0.00 O ATOM 227 CB ILE A 15 8.877 -13.180 -2.551 1.00 0.00 C ATOM 228 CG1 ILE A 15 8.409 -13.970 -1.326 1.00 0.00 C ATOM 229 CG2 ILE A 15 9.989 -13.958 -3.264 1.00 0.00 C ATOM 230 CD1 ILE A 15 7.629 -15.202 -1.782 1.00 0.00 C ATOM 0 H ILE A 15 7.385 -11.381 -1.746 1.00 0.00 H new ATOM 0 HA ILE A 15 10.143 -11.970 -1.315 1.00 0.00 H new ATOM 0 HB ILE A 15 8.043 -13.036 -3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.267 -14.271 -0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.781 -13.342 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.608 -14.928 -3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.324 -13.397 -4.136 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.827 -14.103 -2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.296 -15.765 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.763 -14.889 -2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.271 -15.832 -2.397 1.00 0.00 H new ATOM 242 N GLU A 16 9.219 -10.531 -4.122 1.00 0.00 N ATOM 243 CA GLU A 16 9.677 -9.824 -5.310 1.00 0.00 C ATOM 244 C GLU A 16 9.578 -8.305 -5.137 1.00 0.00 C ATOM 245 O GLU A 16 10.383 -7.562 -5.697 1.00 0.00 O ATOM 246 CB GLU A 16 8.836 -10.293 -6.498 1.00 0.00 C ATOM 247 CG GLU A 16 7.379 -10.489 -6.064 1.00 0.00 C ATOM 248 CD GLU A 16 6.485 -10.624 -7.296 1.00 0.00 C ATOM 249 OE1 GLU A 16 6.983 -10.411 -8.391 1.00 0.00 O ATOM 250 OE2 GLU A 16 5.324 -10.948 -7.128 1.00 0.00 O ATOM 0 H GLU A 16 8.205 -10.549 -4.012 1.00 0.00 H new ATOM 0 HA GLU A 16 10.729 -10.050 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.889 -9.560 -7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.236 -11.228 -6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.292 -11.379 -5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.054 -9.643 -5.458 1.00 0.00 H new ATOM 257 N PHE A 17 8.597 -7.849 -4.356 1.00 0.00 N ATOM 258 CA PHE A 17 8.407 -6.412 -4.104 1.00 0.00 C ATOM 259 C PHE A 17 8.550 -6.117 -2.611 1.00 0.00 C ATOM 260 O PHE A 17 7.555 -6.030 -1.892 1.00 0.00 O ATOM 261 CB PHE A 17 7.015 -5.973 -4.601 1.00 0.00 C ATOM 262 CG PHE A 17 7.081 -5.692 -6.088 1.00 0.00 C ATOM 263 CD1 PHE A 17 7.366 -6.730 -6.977 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.882 -4.394 -6.574 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.450 -6.481 -8.346 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.967 -4.143 -7.949 1.00 0.00 C ATOM 267 CZ PHE A 17 7.252 -5.187 -8.836 1.00 0.00 C ATOM 0 H PHE A 17 7.920 -8.450 -3.886 1.00 0.00 H new ATOM 0 HA PHE A 17 9.170 -5.852 -4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.281 -6.753 -4.399 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.689 -5.082 -4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.522 -7.731 -6.602 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.663 -3.588 -5.889 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.668 -7.289 -9.029 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.812 -3.143 -8.325 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.319 -4.993 -9.896 1.00 0.00 H new ATOM 277 N PRO A 18 9.766 -5.962 -2.133 1.00 0.00 N ATOM 278 CA PRO A 18 10.035 -5.675 -0.691 1.00 0.00 C ATOM 279 C PRO A 18 9.142 -4.554 -0.162 1.00 0.00 C ATOM 280 O PRO A 18 8.316 -4.025 -0.896 1.00 0.00 O ATOM 281 CB PRO A 18 11.519 -5.289 -0.676 1.00 0.00 C ATOM 282 CG PRO A 18 12.108 -6.017 -1.839 1.00 0.00 C ATOM 283 CD PRO A 18 11.017 -6.039 -2.912 1.00 0.00 C ATOM 0 HA PRO A 18 9.818 -6.523 -0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.650 -4.211 -0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.996 -5.583 0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 18 13.004 -5.514 -2.202 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.402 -7.029 -1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.114 -5.199 -3.600 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.061 -6.949 -3.511 1.00 0.00 H new ATOM 291 N THR A 19 9.290 -4.213 1.111 1.00 0.00 N ATOM 292 CA THR A 19 8.455 -3.172 1.712 1.00 0.00 C ATOM 293 C THR A 19 8.604 -1.834 0.987 1.00 0.00 C ATOM 294 O THR A 19 7.612 -1.209 0.617 1.00 0.00 O ATOM 295 CB THR A 19 8.847 -2.990 3.179 1.00 0.00 C ATOM 296 OG1 THR A 19 8.628 -4.206 3.881 1.00 0.00 O ATOM 297 CG2 THR A 19 8.007 -1.877 3.808 1.00 0.00 C ATOM 0 H THR A 19 9.970 -4.634 1.744 1.00 0.00 H new ATOM 0 HA THR A 19 7.416 -3.490 1.628 1.00 0.00 H new ATOM 0 HB THR A 19 9.901 -2.719 3.238 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.880 -4.091 4.821 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.291 -1.753 4.853 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.179 -0.944 3.272 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.951 -2.140 3.748 1.00 0.00 H new ATOM 305 N GLU A 20 9.841 -1.401 0.794 1.00 0.00 N ATOM 306 CA GLU A 20 10.108 -0.131 0.118 1.00 0.00 C ATOM 307 C GLU A 20 9.543 -0.133 -1.306 1.00 0.00 C ATOM 308 O GLU A 20 8.812 0.779 -1.693 1.00 0.00 O ATOM 309 CB GLU A 20 11.631 0.129 0.080 1.00 0.00 C ATOM 310 CG GLU A 20 12.387 -1.210 0.049 1.00 0.00 C ATOM 311 CD GLU A 20 12.603 -1.735 1.467 1.00 0.00 C ATOM 312 OE1 GLU A 20 12.947 -0.938 2.327 1.00 0.00 O ATOM 313 OE2 GLU A 20 12.422 -2.923 1.673 1.00 0.00 O ATOM 0 H GLU A 20 10.676 -1.905 1.093 1.00 0.00 H new ATOM 0 HA GLU A 20 9.615 0.665 0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.886 0.722 -0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.932 0.707 0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.824 -1.939 -0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.349 -1.080 -0.448 1.00 0.00 H new ATOM 320 N LYS A 21 9.899 -1.153 -2.083 1.00 0.00 N ATOM 321 CA LYS A 21 9.434 -1.249 -3.464 1.00 0.00 C ATOM 322 C LYS A 21 7.920 -1.360 -3.514 1.00 0.00 C ATOM 323 O LYS A 21 7.257 -0.686 -4.296 1.00 0.00 O ATOM 324 CB LYS A 21 10.075 -2.485 -4.146 1.00 0.00 C ATOM 325 CG LYS A 21 10.655 -2.100 -5.513 1.00 0.00 C ATOM 326 CD LYS A 21 11.433 -3.286 -6.106 1.00 0.00 C ATOM 327 CE LYS A 21 10.476 -4.343 -6.698 1.00 0.00 C ATOM 328 NZ LYS A 21 10.652 -4.384 -8.178 1.00 0.00 N ATOM 0 H LYS A 21 10.503 -1.919 -1.783 1.00 0.00 H new ATOM 0 HA LYS A 21 9.732 -0.345 -3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.862 -2.891 -3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.328 -3.269 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.852 -1.807 -6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.314 -1.238 -5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.109 -2.929 -6.883 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.050 -3.743 -5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.684 -5.322 -6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.444 -4.098 -6.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.770 -4.707 -8.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.888 -3.433 -8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.422 -5.041 -8.418 1.00 0.00 H new ATOM 342 N CYS A 22 7.393 -2.237 -2.688 1.00 0.00 N ATOM 343 CA CYS A 22 5.966 -2.469 -2.644 1.00 0.00 C ATOM 344 C CYS A 22 5.193 -1.157 -2.646 1.00 0.00 C ATOM 345 O CYS A 22 4.391 -0.899 -3.545 1.00 0.00 O ATOM 346 CB CYS A 22 5.629 -3.257 -1.383 1.00 0.00 C ATOM 347 SG CYS A 22 3.832 -3.431 -1.232 1.00 0.00 S ATOM 0 H CYS A 22 7.934 -2.804 -2.035 1.00 0.00 H new ATOM 0 HA CYS A 22 5.678 -3.033 -3.531 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.097 -4.241 -1.422 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.029 -2.748 -0.507 1.00 0.00 H new ATOM 352 N ASN A 23 5.433 -0.337 -1.631 1.00 0.00 N ATOM 353 CA ASN A 23 4.748 0.938 -1.523 1.00 0.00 C ATOM 354 C ASN A 23 5.133 1.856 -2.675 1.00 0.00 C ATOM 355 O ASN A 23 4.272 2.378 -3.366 1.00 0.00 O ATOM 356 CB ASN A 23 5.103 1.604 -0.193 1.00 0.00 C ATOM 357 CG ASN A 23 6.593 1.882 -0.138 1.00 0.00 C ATOM 358 OD1 ASN A 23 7.345 1.121 0.464 1.00 0.00 O ATOM 359 ND2 ASN A 23 7.068 2.934 -0.731 1.00 0.00 N ATOM 0 H ASN A 23 6.092 -0.532 -0.878 1.00 0.00 H new ATOM 0 HA ASN A 23 3.674 0.758 -1.566 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.546 2.534 -0.082 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.814 0.958 0.636 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.068 3.130 -0.698 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.441 3.565 -1.231 1.00 0.00 H new ATOM 366 N LYS A 24 6.425 2.035 -2.898 1.00 0.00 N ATOM 367 CA LYS A 24 6.874 2.902 -3.982 1.00 0.00 C ATOM 368 C LYS A 24 6.135 2.578 -5.264 1.00 0.00 C ATOM 369 O LYS A 24 5.715 3.480 -5.978 1.00 0.00 O ATOM 370 CB LYS A 24 8.384 2.736 -4.187 1.00 0.00 C ATOM 371 CG LYS A 24 9.160 3.677 -3.263 1.00 0.00 C ATOM 372 CD LYS A 24 10.662 3.411 -3.410 1.00 0.00 C ATOM 373 CE LYS A 24 11.446 4.371 -2.513 1.00 0.00 C ATOM 374 NZ LYS A 24 12.905 4.092 -2.645 1.00 0.00 N ATOM 0 H LYS A 24 7.172 1.601 -2.355 1.00 0.00 H new ATOM 0 HA LYS A 24 6.660 3.937 -3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.672 1.704 -3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.640 2.944 -5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.937 4.714 -3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.852 3.524 -2.229 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.887 2.379 -3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.964 3.541 -4.449 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.235 5.403 -2.794 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.134 4.253 -1.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.440 4.744 -2.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.098 3.112 -2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.196 4.226 -3.634 1.00 0.00 H new ATOM 388 N THR A 25 5.970 1.298 -5.547 1.00 0.00 N ATOM 389 CA THR A 25 5.272 0.893 -6.750 1.00 0.00 C ATOM 390 C THR A 25 3.808 1.298 -6.666 1.00 0.00 C ATOM 391 O THR A 25 3.179 1.618 -7.670 1.00 0.00 O ATOM 392 CB THR A 25 5.384 -0.621 -6.959 1.00 0.00 C ATOM 393 OG1 THR A 25 6.744 -0.969 -7.177 1.00 0.00 O ATOM 394 CG2 THR A 25 4.544 -1.033 -8.172 1.00 0.00 C ATOM 0 H THR A 25 6.306 0.530 -4.966 1.00 0.00 H new ATOM 0 HA THR A 25 5.734 1.395 -7.600 1.00 0.00 H new ATOM 0 HB THR A 25 5.016 -1.140 -6.074 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.221 -0.976 -6.321 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.624 -2.110 -8.321 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.501 -0.767 -8.000 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.909 -0.516 -9.060 1.00 0.00 H new ATOM 402 N CYS A 26 3.269 1.271 -5.462 1.00 0.00 N ATOM 403 CA CYS A 26 1.878 1.641 -5.264 1.00 0.00 C ATOM 404 C CYS A 26 1.687 3.148 -5.427 1.00 0.00 C ATOM 405 O CYS A 26 0.653 3.611 -5.902 1.00 0.00 O ATOM 406 CB CYS A 26 1.425 1.204 -3.876 1.00 0.00 C ATOM 407 SG CYS A 26 1.170 -0.583 -3.841 1.00 0.00 S ATOM 0 H CYS A 26 3.766 1.000 -4.613 1.00 0.00 H new ATOM 0 HA CYS A 26 1.273 1.138 -6.019 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.173 1.487 -3.135 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.501 1.716 -3.608 1.00 0.00 H new ATOM 412 N ILE A 27 2.693 3.900 -5.022 1.00 0.00 N ATOM 413 CA ILE A 27 2.648 5.352 -5.100 1.00 0.00 C ATOM 414 C ILE A 27 2.520 5.806 -6.533 1.00 0.00 C ATOM 415 O ILE A 27 1.685 6.650 -6.858 1.00 0.00 O ATOM 416 CB ILE A 27 3.939 5.929 -4.513 1.00 0.00 C ATOM 417 CG1 ILE A 27 4.125 5.435 -3.061 1.00 0.00 C ATOM 418 CG2 ILE A 27 3.893 7.461 -4.573 1.00 0.00 C ATOM 419 CD1 ILE A 27 3.450 6.368 -2.059 1.00 0.00 C ATOM 0 H ILE A 27 3.559 3.528 -4.632 1.00 0.00 H new ATOM 0 HA ILE A 27 1.783 5.703 -4.538 1.00 0.00 H new ATOM 0 HB ILE A 27 4.792 5.587 -5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.710 4.432 -2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.189 5.364 -2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.813 7.869 -4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.792 7.782 -5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.041 7.822 -3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.602 5.988 -1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.883 7.365 -2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.382 6.418 -2.271 1.00 0.00 H new ATOM 431 N GLU A 28 3.362 5.250 -7.391 1.00 0.00 N ATOM 432 CA GLU A 28 3.335 5.625 -8.787 1.00 0.00 C ATOM 433 C GLU A 28 2.076 5.095 -9.466 1.00 0.00 C ATOM 434 O GLU A 28 1.565 5.701 -10.407 1.00 0.00 O ATOM 435 CB GLU A 28 4.582 5.122 -9.514 1.00 0.00 C ATOM 436 CG GLU A 28 4.832 3.659 -9.174 1.00 0.00 C ATOM 437 CD GLU A 28 5.844 3.061 -10.144 1.00 0.00 C ATOM 438 OE1 GLU A 28 5.648 3.207 -11.339 1.00 0.00 O ATOM 439 OE2 GLU A 28 6.801 2.465 -9.679 1.00 0.00 O ATOM 0 H GLU A 28 4.061 4.548 -7.146 1.00 0.00 H new ATOM 0 HA GLU A 28 3.324 6.714 -8.839 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.456 5.237 -10.591 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.446 5.722 -9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.202 3.573 -8.152 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.897 3.101 -9.223 1.00 0.00 H new ATOM 446 N SER A 29 1.587 3.956 -8.985 1.00 0.00 N ATOM 447 CA SER A 29 0.391 3.344 -9.556 1.00 0.00 C ATOM 448 C SER A 29 -0.844 4.187 -9.252 1.00 0.00 C ATOM 449 O SER A 29 -1.969 3.778 -9.540 1.00 0.00 O ATOM 450 CB SER A 29 0.207 1.935 -9.000 1.00 0.00 C ATOM 451 OG SER A 29 1.198 1.081 -9.554 1.00 0.00 O ATOM 0 H SER A 29 1.997 3.441 -8.206 1.00 0.00 H new ATOM 0 HA SER A 29 0.516 3.289 -10.637 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.287 1.947 -7.913 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.788 1.562 -9.243 1.00 0.00 H new ATOM 0 HG SER A 29 2.018 1.142 -9.021 1.00 0.00 H new ATOM 457 N ASN A 30 -0.621 5.366 -8.676 1.00 0.00 N ATOM 458 CA ASN A 30 -1.711 6.281 -8.339 1.00 0.00 C ATOM 459 C ASN A 30 -2.512 5.775 -7.141 1.00 0.00 C ATOM 460 O ASN A 30 -3.742 5.755 -7.170 1.00 0.00 O ATOM 461 CB ASN A 30 -2.643 6.465 -9.549 1.00 0.00 C ATOM 462 CG ASN A 30 -3.425 7.771 -9.421 1.00 0.00 C ATOM 463 OD1 ASN A 30 -2.883 8.774 -8.955 1.00 0.00 O ATOM 464 ND2 ASN A 30 -4.669 7.819 -9.811 1.00 0.00 N ATOM 0 H ASN A 30 0.307 5.712 -8.432 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.270 7.241 -8.072 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.059 6.472 -10.469 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.334 5.624 -9.616 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.196 8.689 -9.730 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.115 6.987 -10.197 1.00 0.00 H new ATOM 471 N PHE A 31 -1.805 5.378 -6.083 1.00 0.00 N ATOM 472 CA PHE A 31 -2.450 4.883 -4.865 1.00 0.00 C ATOM 473 C PHE A 31 -1.772 5.454 -3.624 1.00 0.00 C ATOM 474 O PHE A 31 -0.638 5.931 -3.688 1.00 0.00 O ATOM 475 CB PHE A 31 -2.400 3.357 -4.830 1.00 0.00 C ATOM 476 CG PHE A 31 -3.372 2.801 -5.846 1.00 0.00 C ATOM 477 CD1 PHE A 31 -4.730 2.695 -5.528 1.00 0.00 C ATOM 478 CD2 PHE A 31 -2.917 2.406 -7.108 1.00 0.00 C ATOM 479 CE1 PHE A 31 -5.632 2.189 -6.472 1.00 0.00 C ATOM 480 CE2 PHE A 31 -3.818 1.902 -8.053 1.00 0.00 C ATOM 481 CZ PHE A 31 -5.177 1.795 -7.736 1.00 0.00 C ATOM 0 H PHE A 31 -0.786 5.389 -6.044 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.490 5.208 -4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.390 3.010 -5.048 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.653 2.996 -3.833 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.083 3.003 -4.555 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.869 2.490 -7.354 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.680 2.103 -6.225 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.465 1.596 -9.027 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.874 1.409 -8.465 1.00 0.00 H new ATOM 491 N ALA A 32 -2.479 5.412 -2.496 1.00 0.00 N ATOM 492 CA ALA A 32 -1.944 5.934 -1.240 1.00 0.00 C ATOM 493 C ALA A 32 -0.802 5.063 -0.723 1.00 0.00 C ATOM 494 O ALA A 32 -0.511 5.053 0.473 1.00 0.00 O ATOM 495 CB ALA A 32 -3.047 5.994 -0.181 1.00 0.00 C ATOM 0 H ALA A 32 -3.420 5.024 -2.426 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.562 6.936 -1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.636 6.384 0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.848 6.647 -0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.443 4.993 -0.011 1.00 0.00 H new ATOM 501 N GLY A 33 -0.164 4.328 -1.627 1.00 0.00 N ATOM 502 CA GLY A 33 0.940 3.451 -1.251 1.00 0.00 C ATOM 503 C GLY A 33 0.428 2.054 -0.943 1.00 0.00 C ATOM 504 O GLY A 33 -0.770 1.790 -1.036 1.00 0.00 O ATOM 0 H GLY A 33 -0.391 4.321 -2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.669 3.407 -2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.454 3.857 -0.380 1.00 0.00 H new ATOM 508 N GLY A 34 1.341 1.155 -0.583 1.00 0.00 N ATOM 509 CA GLY A 34 0.969 -0.222 -0.275 1.00 0.00 C ATOM 510 C GLY A 34 1.897 -0.821 0.773 1.00 0.00 C ATOM 511 O GLY A 34 2.876 -0.196 1.180 1.00 0.00 O ATOM 0 H GLY A 34 2.338 1.354 -0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.059 -0.252 0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.005 -0.823 -1.183 1.00 0.00 H new ATOM 515 N LYS A 35 1.578 -2.034 1.211 1.00 0.00 N ATOM 516 CA LYS A 35 2.385 -2.715 2.219 1.00 0.00 C ATOM 517 C LYS A 35 2.238 -4.230 2.098 1.00 0.00 C ATOM 518 O LYS A 35 1.523 -4.731 1.230 1.00 0.00 O ATOM 519 CB LYS A 35 1.944 -2.280 3.618 1.00 0.00 C ATOM 520 CG LYS A 35 0.407 -2.244 3.685 1.00 0.00 C ATOM 521 CD LYS A 35 -0.050 -2.416 5.131 1.00 0.00 C ATOM 522 CE LYS A 35 -1.546 -2.122 5.235 1.00 0.00 C ATOM 523 NZ LYS A 35 -1.777 -0.661 5.039 1.00 0.00 N ATOM 0 H LYS A 35 0.770 -2.565 0.886 1.00 0.00 H new ATOM 0 HA LYS A 35 3.429 -2.446 2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.335 -2.971 4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.352 -1.296 3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.038 -1.299 3.287 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.012 -3.036 3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.156 -3.432 5.469 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.509 -1.744 5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.093 -2.692 4.484 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.923 -2.434 6.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.418 -0.309 5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.870 -0.155 5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.204 -0.499 4.105 1.00 0.00 H new ATOM 537 N CYS A 36 2.921 -4.950 2.987 1.00 0.00 N ATOM 538 CA CYS A 36 2.872 -6.414 2.999 1.00 0.00 C ATOM 539 C CYS A 36 2.005 -6.907 4.160 1.00 0.00 C ATOM 540 O CYS A 36 2.243 -6.560 5.317 1.00 0.00 O ATOM 541 CB CYS A 36 4.298 -6.973 3.117 1.00 0.00 C ATOM 542 SG CYS A 36 5.015 -7.130 1.459 1.00 0.00 S ATOM 0 H CYS A 36 3.516 -4.544 3.709 1.00 0.00 H new ATOM 0 HA CYS A 36 2.427 -6.767 2.068 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.911 -6.313 3.730 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.281 -7.944 3.613 1.00 0.00 H new ATOM 547 N VAL A 37 0.993 -7.717 3.836 1.00 0.00 N ATOM 548 CA VAL A 37 0.078 -8.258 4.850 1.00 0.00 C ATOM 549 C VAL A 37 -0.198 -9.740 4.595 1.00 0.00 C ATOM 550 O VAL A 37 0.098 -10.258 3.519 1.00 0.00 O ATOM 551 CB VAL A 37 -1.238 -7.484 4.824 1.00 0.00 C ATOM 552 CG1 VAL A 37 -0.979 -6.020 5.184 1.00 0.00 C ATOM 553 CG2 VAL A 37 -1.845 -7.564 3.421 1.00 0.00 C ATOM 0 H VAL A 37 0.785 -8.013 2.882 1.00 0.00 H new ATOM 0 HA VAL A 37 0.547 -8.153 5.828 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.929 -7.917 5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.919 -5.469 5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.545 -5.962 6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.288 -5.584 4.462 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.785 -7.012 3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.153 -7.130 2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.030 -8.607 3.164 1.00 0.00 H new ATOM 563 N HIS A 38 -0.772 -10.418 5.595 1.00 0.00 N ATOM 564 CA HIS A 38 -1.093 -11.847 5.475 1.00 0.00 C ATOM 565 C HIS A 38 -2.598 -12.050 5.325 1.00 0.00 C ATOM 566 O HIS A 38 -3.395 -11.206 5.731 1.00 0.00 O ATOM 567 CB HIS A 38 -0.588 -12.602 6.711 1.00 0.00 C ATOM 568 CG HIS A 38 -0.764 -11.738 7.928 1.00 0.00 C ATOM 569 ND1 HIS A 38 -1.921 -11.761 8.690 1.00 0.00 N ATOM 570 CD2 HIS A 38 0.060 -10.817 8.526 1.00 0.00 C ATOM 571 CE1 HIS A 38 -1.766 -10.879 9.692 1.00 0.00 C ATOM 572 NE2 HIS A 38 -0.574 -10.275 9.640 1.00 0.00 N ATOM 0 H HIS A 38 -1.023 -10.004 6.493 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.599 -12.238 4.586 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.138 -13.535 6.831 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.462 -12.865 6.587 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.050 -10.553 8.184 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.513 -10.682 10.447 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.208 -9.569 10.279 1.00 0.00 H new ATOM 580 N ILE A 39 -2.975 -13.181 4.724 1.00 0.00 N ATOM 581 CA ILE A 39 -4.385 -13.503 4.502 1.00 0.00 C ATOM 582 C ILE A 39 -4.719 -14.905 5.011 1.00 0.00 C ATOM 583 O ILE A 39 -4.077 -15.883 4.627 1.00 0.00 O ATOM 584 CB ILE A 39 -4.676 -13.433 3.004 1.00 0.00 C ATOM 585 CG1 ILE A 39 -4.471 -11.998 2.511 1.00 0.00 C ATOM 586 CG2 ILE A 39 -6.120 -13.864 2.738 1.00 0.00 C ATOM 587 CD1 ILE A 39 -4.487 -11.977 0.982 1.00 0.00 C ATOM 0 H ILE A 39 -2.324 -13.888 4.383 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.996 -12.785 5.049 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.998 -14.101 2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.257 -11.352 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.523 -11.607 2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.324 -13.813 1.668 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.265 -14.887 3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.802 -13.200 3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.341 -10.956 0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.685 -12.610 0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.446 -12.351 0.623 1.00 0.00 H new ATOM 599 N GLY A 40 -5.739 -14.999 5.860 1.00 0.00 N ATOM 600 CA GLY A 40 -6.166 -16.289 6.392 1.00 0.00 C ATOM 601 C GLY A 40 -5.061 -16.955 7.196 1.00 0.00 C ATOM 602 O GLY A 40 -5.053 -18.174 7.360 1.00 0.00 O ATOM 0 H GLY A 40 -6.282 -14.202 6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.044 -16.151 7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.464 -16.941 5.571 1.00 0.00 H new ATOM 606 N GLN A 41 -4.127 -16.153 7.680 1.00 0.00 N ATOM 607 CA GLN A 41 -3.015 -16.675 8.454 1.00 0.00 C ATOM 608 C GLN A 41 -2.255 -17.714 7.640 1.00 0.00 C ATOM 609 O GLN A 41 -1.787 -18.721 8.174 1.00 0.00 O ATOM 610 CB GLN A 41 -3.511 -17.300 9.764 1.00 0.00 C ATOM 611 CG GLN A 41 -4.061 -16.207 10.682 1.00 0.00 C ATOM 612 CD GLN A 41 -4.633 -16.834 11.950 1.00 0.00 C ATOM 613 OE1 GLN A 41 -4.765 -18.130 12.024 1.00 0.00 O flip ATOM 614 NE2 GLN A 41 -4.970 -16.123 12.897 1.00 0.00 N flip ATOM 0 H GLN A 41 -4.117 -15.141 7.551 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.347 -15.848 8.696 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.286 -18.037 9.556 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.695 -17.827 10.259 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.269 -15.503 10.939 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.835 -15.641 10.164 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.866 -15.110 12.837 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.353 -16.547 13.742 1.00 0.00 H new ATOM 623 N SER A 42 -2.140 -17.458 6.343 1.00 0.00 N ATOM 624 CA SER A 42 -1.438 -18.368 5.449 1.00 0.00 C ATOM 625 C SER A 42 0.061 -18.133 5.533 1.00 0.00 C ATOM 626 O SER A 42 0.856 -18.919 5.016 1.00 0.00 O ATOM 627 CB SER A 42 -1.896 -18.127 4.014 1.00 0.00 C ATOM 628 OG SER A 42 -3.191 -18.686 3.830 1.00 0.00 O ATOM 0 H SER A 42 -2.523 -16.629 5.888 1.00 0.00 H new ATOM 0 HA SER A 42 -1.661 -19.393 5.746 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.916 -17.058 3.802 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.191 -18.577 3.315 1.00 0.00 H new ATOM 0 HG SER A 42 -3.871 -18.005 4.017 1.00 0.00 H new ATOM 634 N LEU A 43 0.436 -17.046 6.184 1.00 0.00 N ATOM 635 CA LEU A 43 1.835 -16.709 6.329 1.00 0.00 C ATOM 636 C LEU A 43 2.403 -16.267 4.973 1.00 0.00 C ATOM 637 O LEU A 43 3.590 -16.421 4.693 1.00 0.00 O ATOM 638 CB LEU A 43 2.589 -17.937 6.875 1.00 0.00 C ATOM 639 CG LEU A 43 3.692 -17.515 7.850 1.00 0.00 C ATOM 640 CD1 LEU A 43 4.401 -18.761 8.381 1.00 0.00 C ATOM 641 CD2 LEU A 43 4.702 -16.627 7.128 1.00 0.00 C ATOM 0 H LEU A 43 -0.209 -16.386 6.618 1.00 0.00 H new ATOM 0 HA LEU A 43 1.955 -15.883 7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.889 -18.604 7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.025 -18.498 6.048 1.00 0.00 H new ATOM 0 HG LEU A 43 3.251 -16.962 8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.187 -18.464 9.075 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.682 -19.397 8.897 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.841 -19.312 7.549 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.486 -16.328 7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.144 -17.179 6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.198 -15.739 6.746 1.00 0.00 H new ATOM 653 N ASP A 44 1.537 -15.708 4.131 1.00 0.00 N ATOM 654 CA ASP A 44 1.944 -15.230 2.805 1.00 0.00 C ATOM 655 C ASP A 44 1.878 -13.708 2.766 1.00 0.00 C ATOM 656 O ASP A 44 0.820 -13.127 2.990 1.00 0.00 O ATOM 657 CB ASP A 44 1.020 -15.808 1.734 1.00 0.00 C ATOM 658 CG ASP A 44 1.317 -17.290 1.528 1.00 0.00 C ATOM 659 OD1 ASP A 44 2.350 -17.738 2.000 1.00 0.00 O ATOM 660 OD2 ASP A 44 0.509 -17.954 0.902 1.00 0.00 O ATOM 0 H ASP A 44 0.548 -15.573 4.340 1.00 0.00 H new ATOM 0 HA ASP A 44 2.966 -15.555 2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.020 -15.676 2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.155 -15.269 0.797 1.00 0.00 H new ATOM 665 N PHE A 45 3.006 -13.056 2.477 1.00 0.00 N ATOM 666 CA PHE A 45 3.029 -11.598 2.420 1.00 0.00 C ATOM 667 C PHE A 45 2.725 -11.128 1.007 1.00 0.00 C ATOM 668 O PHE A 45 3.476 -11.403 0.067 1.00 0.00 O ATOM 669 CB PHE A 45 4.402 -11.076 2.849 1.00 0.00 C ATOM 670 CG PHE A 45 4.572 -11.258 4.342 1.00 0.00 C ATOM 671 CD1 PHE A 45 3.877 -10.430 5.234 1.00 0.00 C ATOM 672 CD2 PHE A 45 5.424 -12.254 4.835 1.00 0.00 C ATOM 673 CE1 PHE A 45 4.035 -10.597 6.616 1.00 0.00 C ATOM 674 CE2 PHE A 45 5.582 -12.422 6.217 1.00 0.00 C ATOM 675 CZ PHE A 45 4.887 -11.594 7.107 1.00 0.00 C ATOM 0 H PHE A 45 3.900 -13.507 2.282 1.00 0.00 H new ATOM 0 HA PHE A 45 2.270 -11.210 3.099 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.188 -11.611 2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.499 -10.022 2.588 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.219 -9.662 4.855 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.960 -12.893 4.149 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.500 -9.957 7.302 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.240 -13.190 6.596 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.008 -11.724 8.172 1.00 0.00 H new ATOM 685 N VAL A 46 1.617 -10.406 0.872 1.00 0.00 N ATOM 686 CA VAL A 46 1.183 -9.880 -0.416 1.00 0.00 C ATOM 687 C VAL A 46 1.322 -8.370 -0.425 1.00 0.00 C ATOM 688 O VAL A 46 0.984 -7.703 0.552 1.00 0.00 O ATOM 689 CB VAL A 46 -0.276 -10.265 -0.673 1.00 0.00 C ATOM 690 CG1 VAL A 46 -0.419 -11.788 -0.612 1.00 0.00 C ATOM 691 CG2 VAL A 46 -1.171 -9.627 0.394 1.00 0.00 C ATOM 0 H VAL A 46 0.998 -10.171 1.648 1.00 0.00 H new ATOM 0 HA VAL A 46 1.807 -10.305 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.576 -9.909 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.458 -12.064 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.216 -12.244 -1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.118 -12.143 0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.210 -9.902 0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.871 -9.982 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.070 -8.542 0.353 1.00 0.00 H new ATOM 701 N CYS A 47 1.816 -7.837 -1.533 1.00 0.00 N ATOM 702 CA CYS A 47 2.001 -6.398 -1.664 1.00 0.00 C ATOM 703 C CYS A 47 0.771 -5.798 -2.308 1.00 0.00 C ATOM 704 O CYS A 47 0.463 -6.089 -3.465 1.00 0.00 O ATOM 705 CB CYS A 47 3.228 -6.104 -2.534 1.00 0.00 C ATOM 706 SG CYS A 47 3.265 -4.341 -2.943 1.00 0.00 S ATOM 0 H CYS A 47 2.095 -8.377 -2.352 1.00 0.00 H new ATOM 0 HA CYS A 47 2.154 -5.962 -0.677 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.139 -6.385 -2.005 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.192 -6.700 -3.446 1.00 0.00 H new ATOM 711 N VAL A 48 0.048 -4.976 -1.546 1.00 0.00 N ATOM 712 CA VAL A 48 -1.176 -4.360 -2.055 1.00 0.00 C ATOM 713 C VAL A 48 -1.192 -2.863 -1.810 1.00 0.00 C ATOM 714 O VAL A 48 -0.653 -2.375 -0.818 1.00 0.00 O ATOM 715 CB VAL A 48 -2.395 -5.020 -1.403 1.00 0.00 C ATOM 716 CG1 VAL A 48 -2.517 -4.569 0.055 1.00 0.00 C ATOM 717 CG2 VAL A 48 -3.654 -4.613 -2.167 1.00 0.00 C ATOM 0 H VAL A 48 0.285 -4.724 -0.586 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.212 -4.515 -3.133 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.277 -6.103 -1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.386 -5.043 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.619 -4.857 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.633 -3.486 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.525 -5.080 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.764 -3.529 -2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.572 -4.939 -3.204 1.00 0.00 H new ATOM 727 N CYS A 49 -1.828 -2.142 -2.734 1.00 0.00 N ATOM 728 CA CYS A 49 -1.927 -0.690 -2.640 1.00 0.00 C ATOM 729 C CYS A 49 -3.265 -0.304 -2.035 1.00 0.00 C ATOM 730 O CYS A 49 -4.134 -1.157 -1.842 1.00 0.00 O ATOM 731 CB CYS A 49 -1.787 -0.049 -4.024 1.00 0.00 C ATOM 732 SG CYS A 49 -0.480 -0.869 -4.963 1.00 0.00 S ATOM 0 H CYS A 49 -2.282 -2.542 -3.555 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.120 -0.329 -2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.732 -0.121 -4.563 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.559 1.012 -3.920 1.00 0.00 H new ATOM 737 N PHE A 50 -3.424 0.980 -1.712 1.00 0.00 N ATOM 738 CA PHE A 50 -4.660 1.463 -1.099 1.00 0.00 C ATOM 739 C PHE A 50 -5.201 2.705 -1.835 1.00 0.00 C ATOM 740 O PHE A 50 -4.423 3.565 -2.250 1.00 0.00 O ATOM 741 CB PHE A 50 -4.375 1.831 0.365 1.00 0.00 C ATOM 742 CG PHE A 50 -4.297 0.575 1.203 1.00 0.00 C ATOM 743 CD1 PHE A 50 -5.455 0.058 1.792 1.00 0.00 C ATOM 744 CD2 PHE A 50 -3.069 -0.073 1.385 1.00 0.00 C ATOM 745 CE1 PHE A 50 -5.388 -1.107 2.565 1.00 0.00 C ATOM 746 CE2 PHE A 50 -3.002 -1.238 2.158 1.00 0.00 C ATOM 747 CZ PHE A 50 -4.161 -1.755 2.747 1.00 0.00 C ATOM 0 H PHE A 50 -2.717 1.699 -1.864 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.410 0.675 -1.161 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.439 2.384 0.435 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.160 2.484 0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.402 0.558 1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.175 0.326 0.929 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.282 -1.505 3.021 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.055 -1.738 2.300 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.109 -2.655 3.342 1.00 0.00 H new ATOM 757 N PRO A 51 -6.509 2.839 -1.964 1.00 0.00 N ATOM 758 CA PRO A 51 -7.132 4.034 -2.617 1.00 0.00 C ATOM 759 C PRO A 51 -6.540 5.350 -2.093 1.00 0.00 C ATOM 760 O PRO A 51 -6.304 5.514 -0.898 1.00 0.00 O ATOM 761 CB PRO A 51 -8.626 3.921 -2.230 1.00 0.00 C ATOM 762 CG PRO A 51 -8.864 2.490 -1.897 1.00 0.00 C ATOM 763 CD PRO A 51 -7.521 1.846 -1.562 1.00 0.00 C ATOM 0 HA PRO A 51 -6.960 4.048 -3.693 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.857 4.562 -1.379 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.266 4.241 -3.052 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.547 2.405 -1.052 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.332 1.977 -2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.448 1.617 -0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.388 0.908 -2.100 1.00 0.00 H new ATOM 771 N LYS A 52 -6.284 6.264 -3.029 1.00 0.00 N ATOM 772 CA LYS A 52 -5.690 7.563 -2.719 1.00 0.00 C ATOM 773 C LYS A 52 -6.272 8.191 -1.449 1.00 0.00 C ATOM 774 O LYS A 52 -5.710 8.049 -0.363 1.00 0.00 O ATOM 775 CB LYS A 52 -5.912 8.511 -3.913 1.00 0.00 C ATOM 776 CG LYS A 52 -4.819 8.312 -4.980 1.00 0.00 C ATOM 777 CD LYS A 52 -3.583 9.154 -4.627 1.00 0.00 C ATOM 778 CE LYS A 52 -2.519 8.981 -5.710 1.00 0.00 C ATOM 779 NZ LYS A 52 -1.336 9.822 -5.381 1.00 0.00 N ATOM 0 H LYS A 52 -6.482 6.125 -4.020 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.626 7.407 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.893 8.327 -4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.906 9.545 -3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.546 7.258 -5.042 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.199 8.601 -5.960 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.859 10.205 -4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.185 8.847 -3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.225 7.934 -5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.923 9.267 -6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.611 9.705 -6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.623 10.821 -5.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.946 9.529 -4.462 1.00 0.00 H new ATOM 793 N TYR A 53 -7.385 8.906 -1.601 1.00 0.00 N ATOM 794 CA TYR A 53 -8.028 9.584 -0.467 1.00 0.00 C ATOM 795 C TYR A 53 -9.404 8.994 -0.222 1.00 0.00 C ATOM 796 O TYR A 53 -10.244 9.592 0.451 1.00 0.00 O ATOM 797 CB TYR A 53 -8.167 11.083 -0.772 1.00 0.00 C ATOM 798 CG TYR A 53 -6.932 11.566 -1.492 1.00 0.00 C ATOM 799 CD1 TYR A 53 -5.750 11.805 -0.782 1.00 0.00 C ATOM 800 CD2 TYR A 53 -6.971 11.771 -2.876 1.00 0.00 C ATOM 801 CE1 TYR A 53 -4.607 12.249 -1.457 1.00 0.00 C ATOM 802 CE2 TYR A 53 -5.830 12.214 -3.551 1.00 0.00 C ATOM 803 CZ TYR A 53 -4.647 12.454 -2.842 1.00 0.00 C ATOM 804 OH TYR A 53 -3.520 12.890 -3.508 1.00 0.00 O ATOM 0 H TYR A 53 -7.862 9.033 -2.493 1.00 0.00 H new ATOM 0 HA TYR A 53 -7.413 9.446 0.422 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.051 11.260 -1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.304 11.642 0.154 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.720 11.647 0.286 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.884 11.587 -3.423 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.694 12.434 -0.910 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.861 12.371 -4.619 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.719 12.980 -4.463 1.00 0.00 H new ATOM 814 N TYR A 54 -9.622 7.812 -0.776 1.00 0.00 N ATOM 815 CA TYR A 54 -10.893 7.120 -0.629 1.00 0.00 C ATOM 816 C TYR A 54 -10.814 6.169 0.558 1.00 0.00 C ATOM 817 O TYR A 54 -10.229 5.090 0.467 1.00 0.00 O ATOM 818 CB TYR A 54 -11.195 6.358 -1.937 1.00 0.00 C ATOM 819 CG TYR A 54 -12.077 7.198 -2.839 1.00 0.00 C ATOM 820 CD1 TYR A 54 -11.794 8.556 -3.022 1.00 0.00 C ATOM 821 CD2 TYR A 54 -13.174 6.618 -3.490 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.606 9.336 -3.852 1.00 0.00 C ATOM 823 CE2 TYR A 54 -13.985 7.398 -4.323 1.00 0.00 C ATOM 824 CZ TYR A 54 -13.702 8.758 -4.503 1.00 0.00 C ATOM 825 OH TYR A 54 -14.501 9.527 -5.323 1.00 0.00 O ATOM 0 H TYR A 54 -8.932 7.310 -1.334 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.699 7.829 -0.442 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -10.264 6.116 -2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -11.689 5.413 -1.710 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -10.947 9.003 -2.522 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.394 5.570 -3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -12.387 10.384 -3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -14.829 6.951 -4.827 1.00 0.00 H new ATOM 0 HH TYR A 54 -15.216 8.971 -5.697 1.00 0.00 H new ATOM 835 N ILE A 55 -11.396 6.594 1.675 1.00 0.00 N ATOM 836 CA ILE A 55 -11.389 5.794 2.895 1.00 0.00 C ATOM 837 C ILE A 55 -12.594 6.139 3.766 1.00 0.00 C ATOM 838 O ILE A 55 -13.009 7.286 3.742 1.00 0.00 O ATOM 839 CB ILE A 55 -10.097 6.044 3.678 1.00 0.00 C ATOM 840 CG1 ILE A 55 -9.930 7.546 3.919 1.00 0.00 C ATOM 841 CG2 ILE A 55 -8.898 5.517 2.887 1.00 0.00 C ATOM 842 CD1 ILE A 55 -8.735 7.784 4.845 1.00 0.00 C ATOM 843 OXT ILE A 55 -13.082 5.250 4.444 1.00 0.00 O ATOM 0 H ILE A 55 -11.879 7.488 1.761 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.445 4.741 2.619 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.151 5.524 4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.778 8.063 2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.836 7.957 4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.983 5.698 3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.015 4.446 2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.841 6.030 1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.615 8.854 5.017 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.906 7.280 5.796 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.831 7.388 4.382 1.00 0.00 H new TER 855 ILE A 55