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 Set 1.1: A 38 HIS : no HE2:sc= -2.4! C(o=-4!,f=-6.2!) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.57 K(o=-4,f=-9.4!) USER MOD Set 2.1: A 7 LYS NZ :NH3+ 161:sc= 0.338 (180deg=0) USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= 0.317 USER MOD Single : A 1 LYS N :NH3+ -169:sc= -0.594 (180deg=-0.923) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -170:sc= -0.527 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -10.9! C(o=-11!,f=-6.5!) USER MOD Single : A 24 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.656) USER MOD Single : A 25 THR OG1 : rot 93:sc= 1.26 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0913 K(o=-0.091,f=-2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 80:sc= 0.75 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 ----------------------------------------------------------------- ATOM 1 N LYS A 1 -15.549 -2.057 5.084 1.00 0.00 N ATOM 2 CA LYS A 1 -15.218 -1.135 3.958 1.00 0.00 C ATOM 3 C LYS A 1 -16.047 0.132 4.106 1.00 0.00 C ATOM 4 O LYS A 1 -16.642 0.619 3.143 1.00 0.00 O ATOM 5 CB LYS A 1 -15.540 -1.811 2.622 1.00 0.00 C ATOM 6 CG LYS A 1 -14.859 -3.184 2.535 1.00 0.00 C ATOM 7 CD LYS A 1 -13.334 -3.027 2.533 1.00 0.00 C ATOM 8 CE LYS A 1 -12.689 -4.336 2.066 1.00 0.00 C ATOM 9 NZ LYS A 1 -11.207 -4.184 2.043 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.864 -2.840 5.105 1.00 0.00 H new ATOM 0 H2 LYS A 1 -15.507 -1.536 5.983 1.00 0.00 H new ATOM 0 H3 LYS A 1 -16.507 -2.439 4.950 1.00 0.00 H new ATOM 0 HA LYS A 1 -14.156 -0.889 3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -16.619 -1.927 2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -15.205 -1.180 1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -15.166 -3.803 3.378 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -15.179 -3.699 1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -13.042 -2.209 1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -12.982 -2.772 3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.971 -5.150 2.734 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -13.053 -4.598 1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.772 -5.074 1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.947 -3.419 1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.867 -3.954 2.998 1.00 0.00 H new ATOM 25 N ASP A 2 -16.068 0.670 5.316 1.00 0.00 N ATOM 26 CA ASP A 2 -16.812 1.889 5.582 1.00 0.00 C ATOM 27 C ASP A 2 -16.076 3.071 4.969 1.00 0.00 C ATOM 28 O ASP A 2 -16.509 4.218 5.082 1.00 0.00 O ATOM 29 CB ASP A 2 -16.964 2.087 7.091 1.00 0.00 C ATOM 30 CG ASP A 2 -15.598 2.034 7.767 1.00 0.00 C ATOM 31 OD1 ASP A 2 -14.629 1.753 7.079 1.00 0.00 O ATOM 32 OD2 ASP A 2 -15.539 2.272 8.962 1.00 0.00 O ATOM 0 H ASP A 2 -15.581 0.283 6.124 1.00 0.00 H new ATOM 0 HA ASP A 2 -17.805 1.815 5.138 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -17.442 3.046 7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -17.613 1.314 7.503 1.00 0.00 H new ATOM 37 N ILE A 3 -14.951 2.771 4.320 1.00 0.00 N ATOM 38 CA ILE A 3 -14.127 3.794 3.677 1.00 0.00 C ATOM 39 C ILE A 3 -14.504 3.952 2.204 1.00 0.00 C ATOM 40 O ILE A 3 -14.828 2.983 1.518 1.00 0.00 O ATOM 41 CB ILE A 3 -12.628 3.433 3.807 1.00 0.00 C ATOM 42 CG1 ILE A 3 -12.443 1.910 3.892 1.00 0.00 C ATOM 43 CG2 ILE A 3 -12.037 4.076 5.064 1.00 0.00 C ATOM 44 CD1 ILE A 3 -12.992 1.245 2.627 1.00 0.00 C ATOM 0 H ILE A 3 -14.588 1.822 4.226 1.00 0.00 H new ATOM 0 HA ILE A 3 -14.309 4.743 4.181 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.113 3.810 2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -11.386 1.670 4.010 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -12.958 1.521 4.770 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.982 3.815 5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.139 5.159 5.001 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -12.569 3.712 5.943 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -12.857 0.166 2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -14.053 1.472 2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.457 1.623 1.756 1.00 0.00 H new ATOM 56 N ASP A 4 -14.446 5.193 1.732 1.00 0.00 N ATOM 57 CA ASP A 4 -14.768 5.496 0.345 1.00 0.00 C ATOM 58 C ASP A 4 -13.798 4.787 -0.589 1.00 0.00 C ATOM 59 O ASP A 4 -14.190 4.266 -1.632 1.00 0.00 O ATOM 60 CB ASP A 4 -14.676 7.003 0.115 1.00 0.00 C ATOM 61 CG ASP A 4 -15.857 7.708 0.772 1.00 0.00 C ATOM 62 OD1 ASP A 4 -16.803 7.029 1.132 1.00 0.00 O ATOM 63 OD2 ASP A 4 -15.798 8.921 0.903 1.00 0.00 O ATOM 0 H ASP A 4 -14.179 6.004 2.290 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.781 5.151 0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -13.741 7.385 0.525 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.665 7.215 -0.954 1.00 0.00 H new ATOM 68 N GLY A 5 -12.525 4.780 -0.208 1.00 0.00 N ATOM 69 CA GLY A 5 -11.503 4.137 -1.019 1.00 0.00 C ATOM 70 C GLY A 5 -11.497 2.642 -0.784 1.00 0.00 C ATOM 71 O GLY A 5 -11.010 2.163 0.239 1.00 0.00 O ATOM 0 H GLY A 5 -12.180 5.209 0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.685 4.344 -2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.525 4.552 -0.777 1.00 0.00 H new ATOM 75 N ARG A 6 -12.041 1.907 -1.744 1.00 0.00 N ATOM 76 CA ARG A 6 -12.104 0.452 -1.653 1.00 0.00 C ATOM 77 C ARG A 6 -11.639 -0.209 -2.958 1.00 0.00 C ATOM 78 O ARG A 6 -12.208 -1.215 -3.386 1.00 0.00 O ATOM 79 CB ARG A 6 -13.536 0.030 -1.307 1.00 0.00 C ATOM 80 CG ARG A 6 -14.556 0.894 -2.060 1.00 0.00 C ATOM 81 CD ARG A 6 -14.494 0.601 -3.557 1.00 0.00 C ATOM 82 NE ARG A 6 -15.684 1.129 -4.212 1.00 0.00 N ATOM 83 CZ ARG A 6 -16.813 0.431 -4.264 1.00 0.00 C ATOM 84 NH1 ARG A 6 -16.868 -0.761 -3.738 1.00 0.00 N ATOM 85 NH2 ARG A 6 -17.869 0.939 -4.840 1.00 0.00 N ATOM 0 H ARG A 6 -12.446 2.294 -2.597 1.00 0.00 H new ATOM 0 HA ARG A 6 -11.429 0.118 -0.865 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -13.682 -1.019 -1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -13.697 0.122 -0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -15.560 0.695 -1.685 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.352 1.950 -1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -13.600 1.051 -3.988 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -14.422 -0.474 -3.724 1.00 0.00 H new ATOM 0 HE ARG A 6 -15.649 2.054 -4.640 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -16.044 -1.158 -3.286 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -17.735 -1.297 -3.778 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -17.827 1.872 -5.250 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -18.736 0.403 -4.880 1.00 0.00 H new ATOM 99 N LYS A 7 -10.609 0.362 -3.595 1.00 0.00 N ATOM 100 CA LYS A 7 -10.080 -0.176 -4.857 1.00 0.00 C ATOM 101 C LYS A 7 -8.574 -0.445 -4.756 1.00 0.00 C ATOM 102 O LYS A 7 -7.775 0.241 -5.389 1.00 0.00 O ATOM 103 CB LYS A 7 -10.340 0.829 -5.993 1.00 0.00 C ATOM 104 CG LYS A 7 -9.796 0.285 -7.337 1.00 0.00 C ATOM 105 CD LYS A 7 -10.639 0.819 -8.515 1.00 0.00 C ATOM 106 CE LYS A 7 -11.865 -0.077 -8.730 1.00 0.00 C ATOM 107 NZ LYS A 7 -12.672 0.449 -9.870 1.00 0.00 N ATOM 0 H LYS A 7 -10.125 1.195 -3.259 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.587 -1.118 -5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.410 1.021 -6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.863 1.781 -5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.755 0.583 -7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.817 -0.805 -7.331 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.957 1.842 -8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.035 0.847 -9.422 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.550 -1.100 -8.935 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.471 -0.106 -7.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.301 -0.300 -10.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.243 1.257 -9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.036 0.757 -10.633 1.00 0.00 H new ATOM 121 N PRO A 8 -8.176 -1.431 -3.991 1.00 0.00 N ATOM 122 CA PRO A 8 -6.737 -1.799 -3.833 1.00 0.00 C ATOM 123 C PRO A 8 -6.220 -2.581 -5.042 1.00 0.00 C ATOM 124 O PRO A 8 -7.008 -3.105 -5.831 1.00 0.00 O ATOM 125 CB PRO A 8 -6.730 -2.636 -2.553 1.00 0.00 C ATOM 126 CG PRO A 8 -8.075 -3.289 -2.514 1.00 0.00 C ATOM 127 CD PRO A 8 -9.051 -2.315 -3.196 1.00 0.00 C ATOM 0 HA PRO A 8 -6.076 -0.935 -3.770 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.931 -3.377 -2.570 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.568 -2.012 -1.674 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.057 -4.247 -3.033 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.380 -3.489 -1.487 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.765 -2.843 -3.828 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.629 -1.751 -2.464 1.00 0.00 H new ATOM 135 N LEU A 9 -4.893 -2.641 -5.204 1.00 0.00 N ATOM 136 CA LEU A 9 -4.295 -3.349 -6.345 1.00 0.00 C ATOM 137 C LEU A 9 -3.145 -4.243 -5.876 1.00 0.00 C ATOM 138 O LEU A 9 -2.165 -3.758 -5.316 1.00 0.00 O ATOM 139 CB LEU A 9 -3.758 -2.315 -7.355 1.00 0.00 C ATOM 140 CG LEU A 9 -3.625 -2.933 -8.759 1.00 0.00 C ATOM 141 CD1 LEU A 9 -3.153 -1.855 -9.743 1.00 0.00 C ATOM 142 CD2 LEU A 9 -2.612 -4.084 -8.744 1.00 0.00 C ATOM 0 H LEU A 9 -4.219 -2.214 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.056 -3.973 -6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.429 -1.457 -7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.788 -1.946 -7.022 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.595 -3.322 -9.067 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.057 -2.288 -10.739 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.879 -1.043 -9.769 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.186 -1.467 -9.422 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.530 -4.510 -9.744 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.639 -3.708 -8.429 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.946 -4.854 -8.048 1.00 0.00 H new ATOM 154 N LEU A 10 -3.255 -5.543 -6.132 1.00 0.00 N ATOM 155 CA LEU A 10 -2.194 -6.480 -5.753 1.00 0.00 C ATOM 156 C LEU A 10 -1.174 -6.555 -6.878 1.00 0.00 C ATOM 157 O LEU A 10 -1.540 -6.644 -8.052 1.00 0.00 O ATOM 158 CB LEU A 10 -2.780 -7.865 -5.448 1.00 0.00 C ATOM 159 CG LEU A 10 -1.642 -8.884 -5.185 1.00 0.00 C ATOM 160 CD1 LEU A 10 -2.041 -9.846 -4.056 1.00 0.00 C ATOM 161 CD2 LEU A 10 -1.365 -9.697 -6.458 1.00 0.00 C ATOM 0 H LEU A 10 -4.057 -5.971 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.701 -6.126 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.434 -7.807 -4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.392 -8.201 -6.285 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.746 -8.335 -4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.233 -10.557 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.229 -9.279 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.944 -10.386 -4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.564 -10.411 -6.266 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.268 -10.234 -6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.066 -9.024 -7.262 1.00 0.00 H new ATOM 173 N ILE A 11 0.114 -6.499 -6.528 1.00 0.00 N ATOM 174 CA ILE A 11 1.174 -6.535 -7.540 1.00 0.00 C ATOM 175 C ILE A 11 1.919 -7.858 -7.494 1.00 0.00 C ATOM 176 O ILE A 11 2.346 -8.380 -8.524 1.00 0.00 O ATOM 177 CB ILE A 11 2.148 -5.375 -7.309 1.00 0.00 C ATOM 178 CG1 ILE A 11 2.523 -5.302 -5.827 1.00 0.00 C ATOM 179 CG2 ILE A 11 1.490 -4.058 -7.726 1.00 0.00 C ATOM 180 CD1 ILE A 11 3.680 -4.319 -5.640 1.00 0.00 C ATOM 0 H ILE A 11 0.445 -6.430 -5.566 1.00 0.00 H new ATOM 0 HA ILE A 11 0.718 -6.434 -8.525 1.00 0.00 H new ATOM 0 HB ILE A 11 3.045 -5.540 -7.905 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.663 -4.983 -5.239 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.809 -6.289 -5.464 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.186 -3.235 -7.560 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.225 -4.102 -8.782 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.590 -3.897 -7.133 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.947 -4.267 -4.584 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.542 -4.657 -6.216 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.377 -3.331 -5.986 1.00 0.00 H new ATOM 192 N GLY A 12 2.070 -8.396 -6.294 1.00 0.00 N ATOM 193 CA GLY A 12 2.763 -9.659 -6.124 1.00 0.00 C ATOM 194 C GLY A 12 2.895 -10.007 -4.654 1.00 0.00 C ATOM 195 O GLY A 12 2.053 -9.638 -3.835 1.00 0.00 O ATOM 0 H GLY A 12 1.724 -7.979 -5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.220 -10.449 -6.642 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.752 -9.601 -6.579 1.00 0.00 H new ATOM 199 N THR A 13 3.962 -10.723 -4.327 1.00 0.00 N ATOM 200 CA THR A 13 4.215 -11.127 -2.949 1.00 0.00 C ATOM 201 C THR A 13 5.219 -10.188 -2.302 1.00 0.00 C ATOM 202 O THR A 13 5.959 -9.484 -2.990 1.00 0.00 O ATOM 203 CB THR A 13 4.762 -12.554 -2.910 1.00 0.00 C ATOM 204 OG1 THR A 13 6.058 -12.581 -3.489 1.00 0.00 O ATOM 205 CG2 THR A 13 3.832 -13.480 -3.691 1.00 0.00 C ATOM 0 H THR A 13 4.666 -11.036 -4.995 1.00 0.00 H new ATOM 0 HA THR A 13 3.275 -11.084 -2.400 1.00 0.00 H new ATOM 0 HB THR A 13 4.821 -12.891 -1.875 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.344 -13.511 -3.609 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.223 -14.497 -3.662 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.839 -13.461 -3.243 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.770 -13.144 -4.726 1.00 0.00 H new ATOM 213 N CYS A 14 5.241 -10.186 -0.979 1.00 0.00 N ATOM 214 CA CYS A 14 6.162 -9.332 -0.249 1.00 0.00 C ATOM 215 C CYS A 14 7.583 -9.860 -0.380 1.00 0.00 C ATOM 216 O CYS A 14 8.504 -9.360 0.264 1.00 0.00 O ATOM 217 CB CYS A 14 5.758 -9.282 1.223 1.00 0.00 C ATOM 218 SG CYS A 14 6.568 -7.880 2.026 1.00 0.00 S ATOM 0 H CYS A 14 4.636 -10.762 -0.393 1.00 0.00 H new ATOM 0 HA CYS A 14 6.123 -8.326 -0.667 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.676 -9.189 1.311 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.039 -10.211 1.720 1.00 0.00 H new ATOM 223 N ILE A 15 7.754 -10.878 -1.224 1.00 0.00 N ATOM 224 CA ILE A 15 9.070 -11.470 -1.441 1.00 0.00 C ATOM 225 C ILE A 15 9.763 -10.781 -2.605 1.00 0.00 C ATOM 226 O ILE A 15 10.948 -10.455 -2.535 1.00 0.00 O ATOM 227 CB ILE A 15 8.927 -12.963 -1.737 1.00 0.00 C ATOM 228 CG1 ILE A 15 8.342 -13.661 -0.507 1.00 0.00 C ATOM 229 CG2 ILE A 15 10.302 -13.556 -2.057 1.00 0.00 C ATOM 230 CD1 ILE A 15 7.959 -15.097 -0.867 1.00 0.00 C ATOM 0 H ILE A 15 7.002 -11.306 -1.764 1.00 0.00 H new ATOM 0 HA ILE A 15 9.669 -11.339 -0.540 1.00 0.00 H new ATOM 0 HB ILE A 15 8.266 -13.108 -2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.070 -13.660 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.466 -13.119 -0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.199 -14.620 -2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.722 -13.052 -2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.965 -13.418 -1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.543 -15.593 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.217 -15.086 -1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.845 -15.637 -1.203 1.00 0.00 H new ATOM 242 N GLU A 16 9.009 -10.564 -3.680 1.00 0.00 N ATOM 243 CA GLU A 16 9.548 -9.913 -4.867 1.00 0.00 C ATOM 244 C GLU A 16 9.423 -8.395 -4.755 1.00 0.00 C ATOM 245 O GLU A 16 10.139 -7.657 -5.432 1.00 0.00 O ATOM 246 CB GLU A 16 8.806 -10.412 -6.107 1.00 0.00 C ATOM 247 CG GLU A 16 7.301 -10.419 -5.844 1.00 0.00 C ATOM 248 CD GLU A 16 6.546 -10.647 -7.149 1.00 0.00 C ATOM 249 OE1 GLU A 16 6.980 -10.120 -8.161 1.00 0.00 O ATOM 250 OE2 GLU A 16 5.549 -11.349 -7.121 1.00 0.00 O ATOM 0 H GLU A 16 8.027 -10.829 -3.752 1.00 0.00 H new ATOM 0 HA GLU A 16 10.606 -10.162 -4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.032 -9.771 -6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.144 -11.416 -6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.052 -11.202 -5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.997 -9.472 -5.399 1.00 0.00 H new ATOM 257 N PHE A 17 8.518 -7.928 -3.887 1.00 0.00 N ATOM 258 CA PHE A 17 8.313 -6.494 -3.683 1.00 0.00 C ATOM 259 C PHE A 17 8.573 -6.112 -2.208 1.00 0.00 C ATOM 260 O PHE A 17 7.699 -6.292 -1.361 1.00 0.00 O ATOM 261 CB PHE A 17 6.875 -6.125 -4.064 1.00 0.00 C ATOM 262 CG PHE A 17 6.707 -6.281 -5.564 1.00 0.00 C ATOM 263 CD1 PHE A 17 7.432 -5.459 -6.438 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.846 -7.259 -6.082 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.297 -5.614 -7.821 1.00 0.00 C ATOM 266 CE2 PHE A 17 5.715 -7.415 -7.470 1.00 0.00 C ATOM 267 CZ PHE A 17 6.440 -6.592 -8.338 1.00 0.00 C ATOM 0 H PHE A 17 7.918 -8.524 -3.316 1.00 0.00 H new ATOM 0 HA PHE A 17 9.014 -5.946 -4.313 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.169 -6.767 -3.537 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.657 -5.100 -3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 17 8.096 -4.705 -6.042 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.283 -7.892 -5.412 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.855 -4.978 -8.492 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.054 -8.171 -7.868 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.338 -6.711 -9.407 1.00 0.00 H new ATOM 277 N PRO A 18 9.745 -5.587 -1.883 1.00 0.00 N ATOM 278 CA PRO A 18 10.086 -5.184 -0.486 1.00 0.00 C ATOM 279 C PRO A 18 9.324 -3.937 -0.070 1.00 0.00 C ATOM 280 O PRO A 18 8.644 -3.321 -0.877 1.00 0.00 O ATOM 281 CB PRO A 18 11.603 -4.932 -0.512 1.00 0.00 C ATOM 282 CG PRO A 18 11.939 -4.649 -1.944 1.00 0.00 C ATOM 283 CD PRO A 18 10.854 -5.314 -2.806 1.00 0.00 C ATOM 0 HA PRO A 18 9.811 -5.949 0.240 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.872 -4.091 0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.151 -5.800 -0.145 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.971 -3.575 -2.127 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.924 -5.044 -2.193 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.539 -4.658 -3.618 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.222 -6.233 -3.263 1.00 0.00 H new ATOM 291 N THR A 19 9.441 -3.568 1.191 1.00 0.00 N ATOM 292 CA THR A 19 8.738 -2.399 1.688 1.00 0.00 C ATOM 293 C THR A 19 8.929 -1.210 0.743 1.00 0.00 C ATOM 294 O THR A 19 7.961 -0.561 0.354 1.00 0.00 O ATOM 295 CB THR A 19 9.282 -2.049 3.083 1.00 0.00 C ATOM 296 OG1 THR A 19 8.808 -2.997 4.029 1.00 0.00 O ATOM 297 CG2 THR A 19 8.824 -0.651 3.494 1.00 0.00 C ATOM 0 H THR A 19 10.010 -4.054 1.884 1.00 0.00 H new ATOM 0 HA THR A 19 7.672 -2.619 1.746 1.00 0.00 H new ATOM 0 HB THR A 19 10.371 -2.071 3.052 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.156 -2.775 4.918 1.00 0.00 H new ATOM 0 HG21 THR A 19 9.216 -0.416 4.483 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.194 0.079 2.774 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.735 -0.617 3.518 1.00 0.00 H new ATOM 305 N GLU A 20 10.173 -0.923 0.390 1.00 0.00 N ATOM 306 CA GLU A 20 10.473 0.204 -0.494 1.00 0.00 C ATOM 307 C GLU A 20 9.719 0.112 -1.835 1.00 0.00 C ATOM 308 O GLU A 20 8.850 0.933 -2.119 1.00 0.00 O ATOM 309 CB GLU A 20 12.004 0.305 -0.747 1.00 0.00 C ATOM 310 CG GLU A 20 12.711 -0.975 -0.283 1.00 0.00 C ATOM 311 CD GLU A 20 12.826 -0.998 1.239 1.00 0.00 C ATOM 312 OE1 GLU A 20 12.946 0.066 1.822 1.00 0.00 O ATOM 313 OE2 GLU A 20 12.795 -2.083 1.797 1.00 0.00 O ATOM 0 H GLU A 20 10.991 -1.449 0.698 1.00 0.00 H new ATOM 0 HA GLU A 20 10.130 1.107 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.193 0.468 -1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.410 1.165 -0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.156 -1.849 -0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.704 -1.032 -0.730 1.00 0.00 H new ATOM 320 N LYS A 21 10.081 -0.865 -2.665 1.00 0.00 N ATOM 321 CA LYS A 21 9.455 -1.015 -3.982 1.00 0.00 C ATOM 322 C LYS A 21 7.951 -1.190 -3.868 1.00 0.00 C ATOM 323 O LYS A 21 7.179 -0.581 -4.604 1.00 0.00 O ATOM 324 CB LYS A 21 10.053 -2.243 -4.701 1.00 0.00 C ATOM 325 CG LYS A 21 10.476 -1.879 -6.126 1.00 0.00 C ATOM 326 CD LYS A 21 10.918 -3.136 -6.882 1.00 0.00 C ATOM 327 CE LYS A 21 12.142 -3.753 -6.201 1.00 0.00 C ATOM 328 NZ LYS A 21 12.830 -4.667 -7.155 1.00 0.00 N ATOM 0 H LYS A 21 10.797 -1.560 -2.454 1.00 0.00 H new ATOM 0 HA LYS A 21 9.653 -0.107 -4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.913 -2.614 -4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.319 -3.048 -4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.647 -1.403 -6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.292 -1.156 -6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.103 -3.860 -6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.155 -2.884 -7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.825 -2.968 -5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.838 -4.302 -5.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.662 -5.087 -6.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.176 -5.422 -7.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.133 -4.130 -7.993 1.00 0.00 H new ATOM 342 N CYS A 22 7.555 -2.050 -2.966 1.00 0.00 N ATOM 343 CA CYS A 22 6.158 -2.344 -2.762 1.00 0.00 C ATOM 344 C CYS A 22 5.327 -1.068 -2.667 1.00 0.00 C ATOM 345 O CYS A 22 4.477 -0.809 -3.520 1.00 0.00 O ATOM 346 CB CYS A 22 6.034 -3.175 -1.495 1.00 0.00 C ATOM 347 SG CYS A 22 4.310 -3.640 -1.217 1.00 0.00 S ATOM 0 H CYS A 22 8.188 -2.565 -2.354 1.00 0.00 H new ATOM 0 HA CYS A 22 5.771 -2.902 -3.615 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.651 -4.070 -1.577 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.407 -2.608 -0.642 1.00 0.00 H new ATOM 352 N ASN A 23 5.566 -0.273 -1.629 1.00 0.00 N ATOM 353 CA ASN A 23 4.818 0.963 -1.461 1.00 0.00 C ATOM 354 C ASN A 23 5.127 1.939 -2.581 1.00 0.00 C ATOM 355 O ASN A 23 4.224 2.546 -3.137 1.00 0.00 O ATOM 356 CB ASN A 23 5.137 1.601 -0.105 1.00 0.00 C ATOM 357 CG ASN A 23 6.554 2.148 -0.097 1.00 0.00 C ATOM 358 OD1 ASN A 23 7.404 1.669 0.651 1.00 0.00 O ATOM 359 ND2 ASN A 23 6.856 3.142 -0.875 1.00 0.00 N ATOM 0 H ASN A 23 6.259 -0.459 -0.904 1.00 0.00 H new ATOM 0 HA ASN A 23 3.756 0.722 -1.497 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.429 2.404 0.102 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.021 0.862 0.688 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.800 3.527 -0.867 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.149 3.538 -1.495 1.00 0.00 H new ATOM 366 N LYS A 24 6.394 2.074 -2.934 1.00 0.00 N ATOM 367 CA LYS A 24 6.761 2.987 -4.000 1.00 0.00 C ATOM 368 C LYS A 24 5.938 2.695 -5.234 1.00 0.00 C ATOM 369 O LYS A 24 5.506 3.597 -5.930 1.00 0.00 O ATOM 370 CB LYS A 24 8.244 2.837 -4.326 1.00 0.00 C ATOM 371 CG LYS A 24 9.089 3.591 -3.307 1.00 0.00 C ATOM 372 CD LYS A 24 10.571 3.357 -3.611 1.00 0.00 C ATOM 373 CE LYS A 24 11.436 4.235 -2.702 1.00 0.00 C ATOM 374 NZ LYS A 24 11.514 3.623 -1.345 1.00 0.00 N ATOM 0 H LYS A 24 7.173 1.573 -2.506 1.00 0.00 H new ATOM 0 HA LYS A 24 6.567 4.008 -3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.518 1.782 -4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.443 3.219 -5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.861 4.656 -3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.854 3.251 -2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.820 2.307 -3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.777 3.587 -4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.436 4.339 -3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.012 5.237 -2.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.473 4.371 -0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.715 2.970 -1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.408 3.100 -1.251 1.00 0.00 H new ATOM 388 N THR A 25 5.726 1.430 -5.499 1.00 0.00 N ATOM 389 CA THR A 25 4.961 1.041 -6.663 1.00 0.00 C ATOM 390 C THR A 25 3.532 1.561 -6.568 1.00 0.00 C ATOM 391 O THR A 25 2.987 2.088 -7.539 1.00 0.00 O ATOM 392 CB THR A 25 4.957 -0.479 -6.799 1.00 0.00 C ATOM 393 OG1 THR A 25 6.287 -0.944 -6.987 1.00 0.00 O ATOM 394 CG2 THR A 25 4.096 -0.885 -7.993 1.00 0.00 C ATOM 0 H THR A 25 6.068 0.655 -4.931 1.00 0.00 H new ATOM 0 HA THR A 25 5.428 1.479 -7.546 1.00 0.00 H new ATOM 0 HB THR A 25 4.545 -0.922 -5.892 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.679 -1.173 -6.119 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.095 -1.971 -8.088 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.076 -0.533 -7.842 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.502 -0.442 -8.902 1.00 0.00 H new ATOM 402 N CYS A 26 2.932 1.429 -5.390 1.00 0.00 N ATOM 403 CA CYS A 26 1.570 1.914 -5.187 1.00 0.00 C ATOM 404 C CYS A 26 1.569 3.434 -5.300 1.00 0.00 C ATOM 405 O CYS A 26 0.633 4.042 -5.804 1.00 0.00 O ATOM 406 CB CYS A 26 1.083 1.488 -3.794 1.00 0.00 C ATOM 407 SG CYS A 26 -0.497 2.295 -3.374 1.00 0.00 S ATOM 0 H CYS A 26 3.359 0.997 -4.571 1.00 0.00 H new ATOM 0 HA CYS A 26 0.903 1.494 -5.939 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.961 0.405 -3.764 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.835 1.745 -3.048 1.00 0.00 H new ATOM 412 N ILE A 27 2.653 4.027 -4.837 1.00 0.00 N ATOM 413 CA ILE A 27 2.823 5.469 -4.872 1.00 0.00 C ATOM 414 C ILE A 27 2.921 5.948 -6.308 1.00 0.00 C ATOM 415 O ILE A 27 2.415 7.011 -6.665 1.00 0.00 O ATOM 416 CB ILE A 27 4.086 5.851 -4.088 1.00 0.00 C ATOM 417 CG1 ILE A 27 3.997 5.249 -2.658 1.00 0.00 C ATOM 418 CG2 ILE A 27 4.220 7.376 -4.052 1.00 0.00 C ATOM 419 CD1 ILE A 27 3.595 6.300 -1.621 1.00 0.00 C ATOM 0 H ILE A 27 3.440 3.525 -4.426 1.00 0.00 H new ATOM 0 HA ILE A 27 1.960 5.949 -4.411 1.00 0.00 H new ATOM 0 HB ILE A 27 4.975 5.448 -4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.271 4.436 -2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.960 4.819 -2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.116 7.649 -3.496 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.294 7.759 -5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.345 7.807 -3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.544 5.838 -0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.335 7.101 -1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.619 6.711 -1.879 1.00 0.00 H new ATOM 431 N GLU A 28 3.590 5.147 -7.119 1.00 0.00 N ATOM 432 CA GLU A 28 3.779 5.478 -8.517 1.00 0.00 C ATOM 433 C GLU A 28 2.440 5.513 -9.232 1.00 0.00 C ATOM 434 O GLU A 28 2.202 6.354 -10.101 1.00 0.00 O ATOM 435 CB GLU A 28 4.677 4.427 -9.174 1.00 0.00 C ATOM 436 CG GLU A 28 6.118 4.550 -8.643 1.00 0.00 C ATOM 437 CD GLU A 28 6.928 5.555 -9.463 1.00 0.00 C ATOM 438 OE1 GLU A 28 6.561 5.811 -10.599 1.00 0.00 O ATOM 439 OE2 GLU A 28 7.913 6.052 -8.941 1.00 0.00 O ATOM 0 H GLU A 28 4.011 4.263 -6.832 1.00 0.00 H new ATOM 0 HA GLU A 28 4.247 6.460 -8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.290 3.429 -8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.668 4.556 -10.256 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.098 4.862 -7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.604 3.575 -8.675 1.00 0.00 H new ATOM 446 N SER A 29 1.565 4.595 -8.848 1.00 0.00 N ATOM 447 CA SER A 29 0.241 4.515 -9.440 1.00 0.00 C ATOM 448 C SER A 29 -0.590 5.716 -9.011 1.00 0.00 C ATOM 449 O SER A 29 -1.752 5.844 -9.388 1.00 0.00 O ATOM 450 CB SER A 29 -0.448 3.222 -9.000 1.00 0.00 C ATOM 451 OG SER A 29 0.155 2.119 -9.664 1.00 0.00 O ATOM 0 H SER A 29 1.750 3.896 -8.129 1.00 0.00 H new ATOM 0 HA SER A 29 0.335 4.516 -10.526 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.364 3.101 -7.920 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.512 3.265 -9.234 1.00 0.00 H new ATOM 0 HG SER A 29 -0.283 1.289 -9.383 1.00 0.00 H new ATOM 457 N ASN A 30 0.029 6.586 -8.217 1.00 0.00 N ATOM 458 CA ASN A 30 -0.636 7.787 -7.723 1.00 0.00 C ATOM 459 C ASN A 30 -1.597 7.438 -6.586 1.00 0.00 C ATOM 460 O ASN A 30 -2.522 8.197 -6.296 1.00 0.00 O ATOM 461 CB ASN A 30 -1.404 8.475 -8.866 1.00 0.00 C ATOM 462 CG ASN A 30 -1.576 9.965 -8.581 1.00 0.00 C ATOM 463 OD1 ASN A 30 -1.241 10.433 -7.493 1.00 0.00 O ATOM 464 ND2 ASN A 30 -2.083 10.739 -9.502 1.00 0.00 N ATOM 0 H ASN A 30 0.993 6.480 -7.902 1.00 0.00 H new ATOM 0 HA ASN A 30 0.123 8.470 -7.342 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.867 8.339 -9.805 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.381 8.008 -8.987 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.203 11.736 -9.321 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.359 10.347 -10.402 1.00 0.00 H new ATOM 471 N PHE A 31 -1.380 6.284 -5.943 1.00 0.00 N ATOM 472 CA PHE A 31 -2.240 5.860 -4.848 1.00 0.00 C ATOM 473 C PHE A 31 -1.625 6.252 -3.500 1.00 0.00 C ATOM 474 O PHE A 31 -0.699 7.059 -3.441 1.00 0.00 O ATOM 475 CB PHE A 31 -2.437 4.343 -4.941 1.00 0.00 C ATOM 476 CG PHE A 31 -3.600 4.005 -5.856 1.00 0.00 C ATOM 477 CD1 PHE A 31 -3.723 4.630 -7.106 1.00 0.00 C ATOM 478 CD2 PHE A 31 -4.550 3.060 -5.455 1.00 0.00 C ATOM 479 CE1 PHE A 31 -4.797 4.311 -7.947 1.00 0.00 C ATOM 480 CE2 PHE A 31 -5.621 2.741 -6.294 1.00 0.00 C ATOM 481 CZ PHE A 31 -5.745 3.366 -7.541 1.00 0.00 C ATOM 0 H PHE A 31 -0.622 5.638 -6.164 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.208 6.356 -4.923 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.526 3.876 -5.316 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.620 3.934 -3.947 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.989 5.358 -7.420 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.456 2.576 -4.494 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.893 4.794 -8.908 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.354 2.012 -5.981 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.573 3.118 -8.189 1.00 0.00 H new ATOM 491 N ALA A 32 -2.170 5.691 -2.423 1.00 0.00 N ATOM 492 CA ALA A 32 -1.691 6.006 -1.074 1.00 0.00 C ATOM 493 C ALA A 32 -0.342 5.361 -0.779 1.00 0.00 C ATOM 494 O ALA A 32 0.593 6.024 -0.328 1.00 0.00 O ATOM 495 CB ALA A 32 -2.714 5.537 -0.038 1.00 0.00 C ATOM 0 H ALA A 32 -2.938 5.021 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.565 7.087 -1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.353 5.774 0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.664 6.043 -0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.855 4.460 -0.128 1.00 0.00 H new ATOM 501 N GLY A 33 -0.261 4.062 -1.017 1.00 0.00 N ATOM 502 CA GLY A 33 0.956 3.311 -0.763 1.00 0.00 C ATOM 503 C GLY A 33 0.645 1.826 -0.686 1.00 0.00 C ATOM 504 O GLY A 33 -0.507 1.420 -0.842 1.00 0.00 O ATOM 0 H GLY A 33 -1.030 3.503 -1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.681 3.498 -1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.411 3.644 0.170 1.00 0.00 H new ATOM 508 N GLY A 34 1.672 1.015 -0.454 1.00 0.00 N ATOM 509 CA GLY A 34 1.495 -0.433 -0.377 1.00 0.00 C ATOM 510 C GLY A 34 2.191 -1.013 0.843 1.00 0.00 C ATOM 511 O GLY A 34 3.112 -0.413 1.395 1.00 0.00 O ATOM 0 H GLY A 34 2.632 1.332 -0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.432 -0.669 -0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.892 -0.898 -1.279 1.00 0.00 H new ATOM 515 N LYS A 35 1.725 -2.184 1.262 1.00 0.00 N ATOM 516 CA LYS A 35 2.282 -2.855 2.427 1.00 0.00 C ATOM 517 C LYS A 35 2.061 -4.358 2.333 1.00 0.00 C ATOM 518 O LYS A 35 1.303 -4.834 1.485 1.00 0.00 O ATOM 519 CB LYS A 35 1.602 -2.323 3.686 1.00 0.00 C ATOM 520 CG LYS A 35 0.092 -2.281 3.447 1.00 0.00 C ATOM 521 CD LYS A 35 -0.647 -2.108 4.772 1.00 0.00 C ATOM 522 CE LYS A 35 -0.360 -0.720 5.349 1.00 0.00 C ATOM 523 NZ LYS A 35 -1.275 -0.462 6.496 1.00 0.00 N ATOM 0 H LYS A 35 0.962 -2.688 0.810 1.00 0.00 H new ATOM 0 HA LYS A 35 3.353 -2.659 2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.832 -2.962 4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.975 -1.327 3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.154 -1.459 2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.232 -3.200 2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.719 -2.234 4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.332 -2.877 5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.678 -0.658 5.676 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.498 0.041 4.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.081 0.481 6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.262 -0.505 6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.122 -1.182 7.231 1.00 0.00 H new ATOM 537 N CYS A 36 2.724 -5.097 3.217 1.00 0.00 N ATOM 538 CA CYS A 36 2.602 -6.551 3.250 1.00 0.00 C ATOM 539 C CYS A 36 1.713 -6.975 4.416 1.00 0.00 C ATOM 540 O CYS A 36 1.976 -6.622 5.565 1.00 0.00 O ATOM 541 CB CYS A 36 3.990 -7.168 3.424 1.00 0.00 C ATOM 542 SG CYS A 36 5.108 -6.493 2.174 1.00 0.00 S ATOM 0 H CYS A 36 3.353 -4.712 3.922 1.00 0.00 H new ATOM 0 HA CYS A 36 2.156 -6.895 2.317 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.372 -6.955 4.422 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.933 -8.252 3.329 1.00 0.00 H new ATOM 547 N VAL A 37 0.655 -7.733 4.118 1.00 0.00 N ATOM 548 CA VAL A 37 -0.268 -8.196 5.160 1.00 0.00 C ATOM 549 C VAL A 37 -0.632 -9.663 4.952 1.00 0.00 C ATOM 550 O VAL A 37 -0.468 -10.203 3.859 1.00 0.00 O ATOM 551 CB VAL A 37 -1.547 -7.359 5.142 1.00 0.00 C ATOM 552 CG1 VAL A 37 -1.215 -5.899 5.458 1.00 0.00 C ATOM 553 CG2 VAL A 37 -2.195 -7.445 3.757 1.00 0.00 C ATOM 0 H VAL A 37 0.417 -8.037 3.174 1.00 0.00 H new ATOM 0 HA VAL A 37 0.232 -8.086 6.122 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.237 -7.743 5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.130 -5.307 5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.757 -5.835 6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.522 -5.514 4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.107 -6.848 3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.502 -7.065 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.438 -8.484 3.533 1.00 0.00 H new ATOM 563 N HIS A 38 -1.136 -10.298 6.011 1.00 0.00 N ATOM 564 CA HIS A 38 -1.533 -11.704 5.936 1.00 0.00 C ATOM 565 C HIS A 38 -2.995 -11.820 5.519 1.00 0.00 C ATOM 566 O HIS A 38 -3.787 -10.899 5.722 1.00 0.00 O ATOM 567 CB HIS A 38 -1.321 -12.393 7.293 1.00 0.00 C ATOM 568 CG HIS A 38 -1.579 -11.408 8.398 1.00 0.00 C ATOM 569 ND1 HIS A 38 -2.811 -11.312 9.026 1.00 0.00 N ATOM 570 CD2 HIS A 38 -0.779 -10.467 8.992 1.00 0.00 C ATOM 571 CE1 HIS A 38 -2.717 -10.342 9.952 1.00 0.00 C ATOM 572 NE2 HIS A 38 -1.499 -9.794 9.973 1.00 0.00 N ATOM 0 H HIS A 38 -1.278 -9.865 6.924 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.912 -12.198 5.189 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.991 -13.247 7.388 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.303 -12.777 7.363 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -3.637 -11.874 8.823 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.253 -10.277 8.737 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.527 -10.042 10.600 1.00 0.00 H new ATOM 580 N ILE A 39 -3.338 -12.960 4.926 1.00 0.00 N ATOM 581 CA ILE A 39 -4.705 -13.208 4.466 1.00 0.00 C ATOM 582 C ILE A 39 -5.377 -14.280 5.317 1.00 0.00 C ATOM 583 O ILE A 39 -4.899 -15.411 5.395 1.00 0.00 O ATOM 584 CB ILE A 39 -4.665 -13.686 3.018 1.00 0.00 C ATOM 585 CG1 ILE A 39 -3.893 -12.679 2.156 1.00 0.00 C ATOM 586 CG2 ILE A 39 -6.091 -13.844 2.486 1.00 0.00 C ATOM 587 CD1 ILE A 39 -4.489 -11.269 2.298 1.00 0.00 C ATOM 0 H ILE A 39 -2.690 -13.728 4.752 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.273 -12.282 4.550 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.159 -14.650 2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.845 -12.667 2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.924 -12.988 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.058 -14.186 1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.627 -14.575 3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.606 -12.885 2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.926 -10.572 1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.531 -11.280 1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.434 -10.954 3.340 1.00 0.00 H new ATOM 599 N GLY A 40 -6.497 -13.929 5.936 1.00 0.00 N ATOM 600 CA GLY A 40 -7.230 -14.885 6.759 1.00 0.00 C ATOM 601 C GLY A 40 -6.298 -15.640 7.695 1.00 0.00 C ATOM 602 O GLY A 40 -6.573 -16.782 8.064 1.00 0.00 O ATOM 0 H GLY A 40 -6.915 -13.000 5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.987 -14.360 7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.755 -15.592 6.117 1.00 0.00 H new ATOM 606 N GLN A 41 -5.196 -15.004 8.055 1.00 0.00 N ATOM 607 CA GLN A 41 -4.215 -15.617 8.939 1.00 0.00 C ATOM 608 C GLN A 41 -3.622 -16.861 8.287 1.00 0.00 C ATOM 609 O GLN A 41 -3.327 -17.849 8.960 1.00 0.00 O ATOM 610 CB GLN A 41 -4.850 -15.995 10.285 1.00 0.00 C ATOM 611 CG GLN A 41 -5.536 -14.771 10.899 1.00 0.00 C ATOM 612 CD GLN A 41 -4.491 -13.776 11.393 1.00 0.00 C ATOM 613 OE1 GLN A 41 -3.854 -13.095 10.592 1.00 0.00 O ATOM 614 NE2 GLN A 41 -4.277 -13.651 12.675 1.00 0.00 N ATOM 0 H GLN A 41 -4.956 -14.061 7.749 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.423 -14.890 9.119 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.575 -16.796 10.143 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.086 -16.374 10.964 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.180 -14.296 10.159 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.175 -15.080 11.726 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.807 -14.217 13.338 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.580 -12.987 13.013 1.00 0.00 H new ATOM 623 N SER A 42 -3.450 -16.806 6.969 1.00 0.00 N ATOM 624 CA SER A 42 -2.893 -17.933 6.228 1.00 0.00 C ATOM 625 C SER A 42 -1.374 -17.920 6.283 1.00 0.00 C ATOM 626 O SER A 42 -0.716 -18.861 5.837 1.00 0.00 O ATOM 627 CB SER A 42 -3.328 -17.854 4.773 1.00 0.00 C ATOM 628 OG SER A 42 -4.728 -18.076 4.688 1.00 0.00 O ATOM 0 H SER A 42 -3.687 -15.997 6.395 1.00 0.00 H new ATOM 0 HA SER A 42 -3.259 -18.853 6.684 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.078 -16.877 4.359 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.794 -18.597 4.181 1.00 0.00 H new ATOM 0 HG SER A 42 -5.205 -17.251 4.918 1.00 0.00 H new ATOM 634 N LEU A 43 -0.821 -16.849 6.823 1.00 0.00 N ATOM 635 CA LEU A 43 0.619 -16.717 6.922 1.00 0.00 C ATOM 636 C LEU A 43 1.211 -16.416 5.534 1.00 0.00 C ATOM 637 O LEU A 43 2.364 -16.727 5.253 1.00 0.00 O ATOM 638 CB LEU A 43 1.200 -18.022 7.508 1.00 0.00 C ATOM 639 CG LEU A 43 2.385 -17.731 8.438 1.00 0.00 C ATOM 640 CD1 LEU A 43 2.922 -19.045 9.010 1.00 0.00 C ATOM 641 CD2 LEU A 43 3.493 -17.034 7.655 1.00 0.00 C ATOM 0 H LEU A 43 -1.347 -16.060 7.199 1.00 0.00 H new ATOM 0 HA LEU A 43 0.879 -15.889 7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.424 -18.554 8.058 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.522 -18.676 6.698 1.00 0.00 H new ATOM 0 HG LEU A 43 2.052 -17.086 9.251 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.764 -18.837 9.671 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.134 -19.546 9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.251 -19.689 8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.333 -16.829 8.318 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.823 -17.678 6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.116 -16.097 7.247 1.00 0.00 H new ATOM 653 N ASP A 44 0.408 -15.789 4.669 1.00 0.00 N ATOM 654 CA ASP A 44 0.867 -15.418 3.323 1.00 0.00 C ATOM 655 C ASP A 44 0.963 -13.900 3.227 1.00 0.00 C ATOM 656 O ASP A 44 -0.045 -13.206 3.342 1.00 0.00 O ATOM 657 CB ASP A 44 -0.109 -15.942 2.262 1.00 0.00 C ATOM 658 CG ASP A 44 0.538 -15.888 0.882 1.00 0.00 C ATOM 659 OD1 ASP A 44 1.454 -15.101 0.706 1.00 0.00 O ATOM 660 OD2 ASP A 44 0.109 -16.638 0.019 1.00 0.00 O ATOM 0 H ASP A 44 -0.557 -15.528 4.873 1.00 0.00 H new ATOM 0 HA ASP A 44 1.846 -15.862 3.145 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.398 -16.966 2.497 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.021 -15.344 2.268 1.00 0.00 H new ATOM 665 N PHE A 45 2.169 -13.383 3.008 1.00 0.00 N ATOM 666 CA PHE A 45 2.366 -11.941 2.904 1.00 0.00 C ATOM 667 C PHE A 45 2.245 -11.505 1.452 1.00 0.00 C ATOM 668 O PHE A 45 2.987 -11.966 0.582 1.00 0.00 O ATOM 669 CB PHE A 45 3.745 -11.556 3.482 1.00 0.00 C ATOM 670 CG PHE A 45 3.627 -11.257 4.967 1.00 0.00 C ATOM 671 CD1 PHE A 45 2.797 -12.040 5.781 1.00 0.00 C ATOM 672 CD2 PHE A 45 4.342 -10.189 5.523 1.00 0.00 C ATOM 673 CE1 PHE A 45 2.683 -11.754 7.146 1.00 0.00 C ATOM 674 CE2 PHE A 45 4.227 -9.903 6.890 1.00 0.00 C ATOM 675 CZ PHE A 45 3.399 -10.686 7.702 1.00 0.00 C ATOM 0 H PHE A 45 3.019 -13.937 2.900 1.00 0.00 H new ATOM 0 HA PHE A 45 1.597 -11.428 3.481 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.454 -12.368 3.322 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.136 -10.684 2.958 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.245 -12.865 5.354 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.983 -9.585 4.898 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.042 -12.357 7.772 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.778 -9.078 7.317 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.312 -10.467 8.756 1.00 0.00 H new ATOM 685 N VAL A 46 1.291 -10.615 1.202 1.00 0.00 N ATOM 686 CA VAL A 46 1.038 -10.102 -0.136 1.00 0.00 C ATOM 687 C VAL A 46 1.138 -8.592 -0.141 1.00 0.00 C ATOM 688 O VAL A 46 0.697 -7.925 0.797 1.00 0.00 O ATOM 689 CB VAL A 46 -0.350 -10.534 -0.599 1.00 0.00 C ATOM 690 CG1 VAL A 46 -0.414 -12.062 -0.624 1.00 0.00 C ATOM 691 CG2 VAL A 46 -1.402 -9.992 0.367 1.00 0.00 C ATOM 0 H VAL A 46 0.675 -10.231 1.919 1.00 0.00 H new ATOM 0 HA VAL A 46 1.785 -10.506 -0.819 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.545 -10.142 -1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.403 -12.379 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.339 -12.446 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.223 -12.451 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.394 -10.301 0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.215 -10.384 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.349 -8.903 0.389 1.00 0.00 H new ATOM 701 N CYS A 47 1.731 -8.062 -1.200 1.00 0.00 N ATOM 702 CA CYS A 47 1.904 -6.628 -1.340 1.00 0.00 C ATOM 703 C CYS A 47 0.751 -6.063 -2.150 1.00 0.00 C ATOM 704 O CYS A 47 0.514 -6.478 -3.284 1.00 0.00 O ATOM 705 CB CYS A 47 3.253 -6.351 -2.033 1.00 0.00 C ATOM 706 SG CYS A 47 4.410 -5.623 -0.846 1.00 0.00 S ATOM 0 H CYS A 47 2.101 -8.608 -1.978 1.00 0.00 H new ATOM 0 HA CYS A 47 1.908 -6.147 -0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.664 -7.277 -2.434 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.108 -5.675 -2.876 1.00 0.00 H new ATOM 711 N VAL A 48 0.019 -5.128 -1.552 1.00 0.00 N ATOM 712 CA VAL A 48 -1.127 -4.529 -2.224 1.00 0.00 C ATOM 713 C VAL A 48 -1.118 -3.019 -2.065 1.00 0.00 C ATOM 714 O VAL A 48 -0.592 -2.497 -1.092 1.00 0.00 O ATOM 715 CB VAL A 48 -2.419 -5.140 -1.658 1.00 0.00 C ATOM 716 CG1 VAL A 48 -2.706 -4.576 -0.267 1.00 0.00 C ATOM 717 CG2 VAL A 48 -3.591 -4.830 -2.589 1.00 0.00 C ATOM 0 H VAL A 48 0.197 -4.772 -0.613 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.072 -4.742 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.292 -6.220 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.624 -5.017 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.878 -4.814 0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.822 -3.494 -0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.504 -5.266 -2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.711 -3.750 -2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.395 -5.253 -3.574 1.00 0.00 H new ATOM 727 N CYS A 49 -1.704 -2.330 -3.044 1.00 0.00 N ATOM 728 CA CYS A 49 -1.759 -0.864 -3.029 1.00 0.00 C ATOM 729 C CYS A 49 -3.076 -0.440 -2.399 1.00 0.00 C ATOM 730 O CYS A 49 -3.994 -1.256 -2.288 1.00 0.00 O ATOM 731 CB CYS A 49 -1.671 -0.323 -4.467 1.00 0.00 C ATOM 732 SG CYS A 49 -1.952 1.450 -4.510 1.00 0.00 S ATOM 0 H CYS A 49 -2.147 -2.760 -3.856 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.923 -0.465 -2.455 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.690 -0.549 -4.884 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.407 -0.826 -5.094 1.00 0.00 H new ATOM 737 N PHE A 50 -3.173 0.818 -1.953 1.00 0.00 N ATOM 738 CA PHE A 50 -4.403 1.288 -1.300 1.00 0.00 C ATOM 739 C PHE A 50 -4.915 2.578 -1.940 1.00 0.00 C ATOM 740 O PHE A 50 -4.127 3.442 -2.308 1.00 0.00 O ATOM 741 CB PHE A 50 -4.138 1.544 0.191 1.00 0.00 C ATOM 742 CG PHE A 50 -4.124 0.236 0.940 1.00 0.00 C ATOM 743 CD1 PHE A 50 -2.947 -0.515 1.008 1.00 0.00 C ATOM 744 CD2 PHE A 50 -5.290 -0.224 1.559 1.00 0.00 C ATOM 745 CE1 PHE A 50 -2.931 -1.730 1.698 1.00 0.00 C ATOM 746 CE2 PHE A 50 -5.278 -1.442 2.252 1.00 0.00 C ATOM 747 CZ PHE A 50 -4.098 -2.196 2.321 1.00 0.00 C ATOM 0 H PHE A 50 -2.433 1.516 -2.029 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.160 0.513 -1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.184 2.056 0.317 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.908 2.199 0.599 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.049 -0.156 0.527 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.198 0.358 1.503 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.021 -2.309 1.752 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.177 -1.799 2.732 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.088 -3.135 2.854 1.00 0.00 H new ATOM 757 N PRO A 51 -6.211 2.740 -2.066 1.00 0.00 N ATOM 758 CA PRO A 51 -6.800 3.972 -2.672 1.00 0.00 C ATOM 759 C PRO A 51 -6.475 5.229 -1.860 1.00 0.00 C ATOM 760 O PRO A 51 -6.342 5.175 -0.638 1.00 0.00 O ATOM 761 CB PRO A 51 -8.312 3.690 -2.694 1.00 0.00 C ATOM 762 CG PRO A 51 -8.530 2.625 -1.671 1.00 0.00 C ATOM 763 CD PRO A 51 -7.261 1.786 -1.655 1.00 0.00 C ATOM 0 HA PRO A 51 -6.395 4.173 -3.664 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.883 4.587 -2.455 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.636 3.359 -3.681 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.721 3.061 -0.690 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.397 2.015 -1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.064 1.375 -0.665 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.329 0.943 -2.343 1.00 0.00 H new ATOM 771 N LYS A 52 -6.351 6.360 -2.559 1.00 0.00 N ATOM 772 CA LYS A 52 -6.044 7.642 -1.920 1.00 0.00 C ATOM 773 C LYS A 52 -7.135 8.667 -2.218 1.00 0.00 C ATOM 774 O LYS A 52 -7.689 9.280 -1.305 1.00 0.00 O ATOM 775 CB LYS A 52 -4.701 8.172 -2.431 1.00 0.00 C ATOM 776 CG LYS A 52 -4.326 9.445 -1.662 1.00 0.00 C ATOM 777 CD LYS A 52 -2.919 9.910 -2.065 1.00 0.00 C ATOM 778 CE LYS A 52 -2.948 10.559 -3.455 1.00 0.00 C ATOM 779 NZ LYS A 52 -1.652 11.256 -3.701 1.00 0.00 N ATOM 0 H LYS A 52 -6.459 6.414 -3.572 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.991 7.483 -0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.927 7.416 -2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.764 8.385 -3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.051 10.232 -1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.361 9.255 -0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.541 10.622 -1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.235 9.061 -2.067 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.117 9.801 -4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.773 11.268 -3.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.668 11.697 -4.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.509 11.989 -2.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.874 10.568 -3.655 1.00 0.00 H new ATOM 793 N TYR A 53 -7.436 8.856 -3.506 1.00 0.00 N ATOM 794 CA TYR A 53 -8.459 9.820 -3.928 1.00 0.00 C ATOM 795 C TYR A 53 -9.613 9.114 -4.635 1.00 0.00 C ATOM 796 O TYR A 53 -10.365 9.737 -5.385 1.00 0.00 O ATOM 797 CB TYR A 53 -7.841 10.854 -4.872 1.00 0.00 C ATOM 798 CG TYR A 53 -7.423 10.185 -6.163 1.00 0.00 C ATOM 799 CD1 TYR A 53 -6.183 9.543 -6.247 1.00 0.00 C ATOM 800 CD2 TYR A 53 -8.275 10.211 -7.273 1.00 0.00 C ATOM 801 CE1 TYR A 53 -5.795 8.923 -7.443 1.00 0.00 C ATOM 802 CE2 TYR A 53 -7.887 9.592 -8.468 1.00 0.00 C ATOM 803 CZ TYR A 53 -6.647 8.949 -8.552 1.00 0.00 C ATOM 804 OH TYR A 53 -6.264 8.337 -9.730 1.00 0.00 O ATOM 0 H TYR A 53 -6.988 8.356 -4.274 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.846 10.318 -3.039 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.560 11.647 -5.079 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.978 11.322 -4.398 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.525 9.525 -5.391 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.232 10.708 -7.208 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.839 8.425 -7.508 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -8.545 9.611 -9.324 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.971 8.446 -10.400 1.00 0.00 H new ATOM 814 N TYR A 54 -9.751 7.816 -4.391 1.00 0.00 N ATOM 815 CA TYR A 54 -10.816 7.043 -5.008 1.00 0.00 C ATOM 816 C TYR A 54 -12.114 7.237 -4.239 1.00 0.00 C ATOM 817 O TYR A 54 -12.148 7.094 -3.018 1.00 0.00 O ATOM 818 CB TYR A 54 -10.440 5.562 -5.012 1.00 0.00 C ATOM 819 CG TYR A 54 -11.404 4.806 -5.888 1.00 0.00 C ATOM 820 CD1 TYR A 54 -11.255 4.847 -7.278 1.00 0.00 C ATOM 821 CD2 TYR A 54 -12.443 4.070 -5.314 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.151 4.152 -8.095 1.00 0.00 C ATOM 823 CE2 TYR A 54 -13.339 3.374 -6.129 1.00 0.00 C ATOM 824 CZ TYR A 54 -13.193 3.412 -7.521 1.00 0.00 C ATOM 825 OH TYR A 54 -14.077 2.724 -8.329 1.00 0.00 O ATOM 0 H TYR A 54 -9.141 7.281 -3.773 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.955 7.386 -6.033 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.421 5.435 -5.378 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.466 5.166 -3.997 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -10.449 5.415 -7.719 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -12.554 4.039 -4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -12.040 4.185 -9.169 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -14.144 2.807 -5.686 1.00 0.00 H new ATOM 0 HH TYR A 54 -14.738 2.262 -7.772 1.00 0.00 H new ATOM 835 N ILE A 55 -13.183 7.570 -4.960 1.00 0.00 N ATOM 836 CA ILE A 55 -14.482 7.787 -4.326 1.00 0.00 C ATOM 837 C ILE A 55 -15.604 7.270 -5.222 1.00 0.00 C ATOM 838 O ILE A 55 -15.969 6.117 -5.072 1.00 0.00 O ATOM 839 CB ILE A 55 -14.684 9.284 -4.059 1.00 0.00 C ATOM 840 CG1 ILE A 55 -13.399 9.884 -3.480 1.00 0.00 C ATOM 841 CG2 ILE A 55 -15.821 9.473 -3.052 1.00 0.00 C ATOM 842 CD1 ILE A 55 -13.621 11.367 -3.177 1.00 0.00 C ATOM 843 OXT ILE A 55 -16.078 8.034 -6.047 1.00 0.00 O ATOM 0 H ILE A 55 -13.177 7.694 -5.972 1.00 0.00 H new ATOM 0 HA ILE A 55 -14.506 7.242 -3.382 1.00 0.00 H new ATOM 0 HB ILE A 55 -14.931 9.784 -4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -13.115 9.354 -2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.578 9.765 -4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -15.965 10.536 -2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -16.740 9.049 -3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -15.569 8.968 -2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -12.707 11.795 -2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -13.885 11.891 -4.096 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -14.430 11.474 -2.454 1.00 0.00 H new TER 855 ILE A 55