USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 694 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: B 63 GLN : amide:sc= -0.166 K(o=-0.62,f=-2.1) USER MOD Set 1.2: B 66 HIS : no HD1:sc= -0.457 X(o=-0.62,f=-0.74) USER MOD Single : A 63 GLN : amide:sc= -1.32 K(o=-1.3,f=-1.8) USER MOD Single : A 66 HIS : no HD1:sc= -0.0959 X(o=-0.096,f=-0.34) USER MOD Single : A 67 HIS : no HE2:sc= -3.46! C(o=-3.5!,f=-6.9!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -130:sc= -6.36! USER MOD Single : A 81 MET CE :methyl 166:sc= 0 (180deg=-0.487) USER MOD Single : A 87 THR OG1 : rot -16:sc= -1.66! USER MOD Single : A 92 SER OG : rot -74:sc= 0.485 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 74 THR OG1 : rot -26:sc= -3.06! USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot 77:sc= -0.788 USER MOD Single : B 92 SER OG : rot 82:sc= 0.793 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 62 -16.369 5.418 11.110 1.00 18.74 N ATOM 2 CA VAL A 62 -16.038 4.029 10.682 1.00 18.11 C ATOM 3 C VAL A 62 -15.719 3.177 11.914 1.00 17.30 C ATOM 4 O VAL A 62 -15.210 3.667 12.903 1.00 17.26 O ATOM 5 CB VAL A 62 -14.822 4.059 9.756 1.00 18.42 C ATOM 6 CG1 VAL A 62 -13.592 4.508 10.546 1.00 18.58 C ATOM 7 CG2 VAL A 62 -14.580 2.659 9.187 1.00 18.59 C ATOM 0 HA VAL A 62 -16.889 3.599 10.153 1.00 18.11 H new ATOM 0 HB VAL A 62 -15.004 4.757 8.939 1.00 18.42 H new ATOM 0 HG11 VAL A 62 -12.724 4.530 9.887 1.00 18.58 H new ATOM 0 HG12 VAL A 62 -13.764 5.505 10.952 1.00 18.58 H new ATOM 0 HG13 VAL A 62 -13.410 3.810 11.363 1.00 18.58 H new ATOM 0 HG21 VAL A 62 -13.713 2.680 8.527 1.00 18.59 H new ATOM 0 HG22 VAL A 62 -14.397 1.961 10.004 1.00 18.59 H new ATOM 0 HG23 VAL A 62 -15.457 2.338 8.625 1.00 18.59 H new ATOM 19 N GLN A 63 -16.013 1.904 11.863 1.00 16.78 N ATOM 20 CA GLN A 63 -15.724 1.025 13.032 1.00 16.11 C ATOM 21 C GLN A 63 -16.697 1.351 14.163 1.00 15.69 C ATOM 22 O GLN A 63 -16.509 2.292 14.909 1.00 15.68 O ATOM 23 CB GLN A 63 -14.289 1.267 13.515 1.00 16.10 C ATOM 24 CG GLN A 63 -13.678 -0.020 14.099 1.00 15.49 C ATOM 25 CD GLN A 63 -14.754 -0.842 14.817 1.00 15.09 C ATOM 26 OE1 GLN A 63 -15.215 -0.467 15.877 1.00 15.39 O ATOM 27 NE2 GLN A 63 -15.173 -1.956 14.281 1.00 14.56 N ATOM 0 H GLN A 63 -16.440 1.437 11.063 1.00 16.78 H new ATOM 0 HA GLN A 63 -15.838 -0.018 12.737 1.00 16.11 H new ATOM 0 HB2 GLN A 63 -13.677 1.620 12.685 1.00 16.10 H new ATOM 0 HB3 GLN A 63 -14.284 2.052 14.271 1.00 16.10 H new ATOM 0 HG2 GLN A 63 -13.230 -0.613 13.301 1.00 15.49 H new ATOM 0 HG3 GLN A 63 -12.879 0.233 14.796 1.00 15.49 H new ATOM 0 HE21 GLN A 63 -14.786 -2.271 13.391 1.00 14.56 H new ATOM 0 HE22 GLN A 63 -15.887 -2.512 14.752 1.00 14.56 H new ATOM 36 N LEU A 64 -17.736 0.579 14.295 1.00 15.49 N ATOM 37 CA LEU A 64 -18.727 0.835 15.377 1.00 15.26 C ATOM 38 C LEU A 64 -18.777 -0.377 16.309 1.00 14.77 C ATOM 39 O LEU A 64 -18.257 -0.352 17.407 1.00 14.94 O ATOM 40 CB LEU A 64 -20.112 1.057 14.762 1.00 15.58 C ATOM 41 CG LEU A 64 -20.433 2.553 14.735 1.00 15.97 C ATOM 42 CD1 LEU A 64 -20.327 3.130 16.149 1.00 16.71 C ATOM 43 CD2 LEU A 64 -19.441 3.272 13.816 1.00 16.05 C ATOM 0 H LEU A 64 -17.944 -0.222 13.699 1.00 15.49 H new ATOM 0 HA LEU A 64 -18.433 1.722 15.939 1.00 15.26 H new ATOM 0 HB2 LEU A 64 -20.140 0.651 13.751 1.00 15.58 H new ATOM 0 HB3 LEU A 64 -20.867 0.524 15.340 1.00 15.58 H new ATOM 0 HG LEU A 64 -21.447 2.697 14.362 1.00 15.97 H new ATOM 0 HD11 LEU A 64 -20.556 4.195 16.125 1.00 16.71 H new ATOM 0 HD12 LEU A 64 -21.034 2.621 16.804 1.00 16.71 H new ATOM 0 HD13 LEU A 64 -19.315 2.985 16.526 1.00 16.71 H new ATOM 0 HD21 LEU A 64 -19.670 4.338 13.797 1.00 16.05 H new ATOM 0 HD22 LEU A 64 -18.427 3.125 14.189 1.00 16.05 H new ATOM 0 HD23 LEU A 64 -19.519 2.866 12.808 1.00 16.05 H new ATOM 55 N ALA A 65 -19.396 -1.440 15.875 1.00 14.32 N ATOM 56 CA ALA A 65 -19.478 -2.656 16.731 1.00 14.03 C ATOM 57 C ALA A 65 -18.789 -3.823 16.016 1.00 13.34 C ATOM 58 O ALA A 65 -18.986 -4.039 14.837 1.00 13.29 O ATOM 59 CB ALA A 65 -20.945 -3.006 16.983 1.00 14.31 C ATOM 0 H ALA A 65 -19.849 -1.519 14.964 1.00 14.32 H new ATOM 0 HA ALA A 65 -18.984 -2.467 17.684 1.00 14.03 H new ATOM 0 HB1 ALA A 65 -21.004 -3.896 17.609 1.00 14.31 H new ATOM 0 HB2 ALA A 65 -21.436 -2.174 17.487 1.00 14.31 H new ATOM 0 HB3 ALA A 65 -21.442 -3.198 16.032 1.00 14.31 H new ATOM 65 N HIS A 66 -17.983 -4.577 16.715 1.00 12.98 N ATOM 66 CA HIS A 66 -17.289 -5.724 16.064 1.00 12.48 C ATOM 67 C HIS A 66 -18.320 -6.770 15.639 1.00 11.62 C ATOM 68 O HIS A 66 -19.021 -7.333 16.457 1.00 11.76 O ATOM 69 CB HIS A 66 -16.304 -6.351 17.052 1.00 12.81 C ATOM 70 CG HIS A 66 -14.975 -5.654 16.948 1.00 13.36 C ATOM 71 ND1 HIS A 66 -14.249 -5.621 15.768 1.00 13.57 N ATOM 72 CD2 HIS A 66 -14.228 -4.963 17.869 1.00 13.93 C ATOM 73 CE1 HIS A 66 -13.119 -4.931 16.008 1.00 14.23 C ATOM 74 NE2 HIS A 66 -13.055 -4.507 17.272 1.00 14.47 N ATOM 0 H HIS A 66 -17.776 -4.448 17.705 1.00 12.98 H new ATOM 0 HA HIS A 66 -16.748 -5.370 15.186 1.00 12.48 H new ATOM 0 HB2 HIS A 66 -16.690 -6.270 18.068 1.00 12.81 H new ATOM 0 HB3 HIS A 66 -16.187 -7.414 16.840 1.00 12.81 H new ATOM 0 HD2 HIS A 66 -14.507 -4.798 18.899 1.00 13.93 H new ATOM 0 HE1 HIS A 66 -12.356 -4.743 15.267 1.00 14.23 H new ATOM 0 HE2 HIS A 66 -12.308 -3.966 17.707 1.00 14.47 H new ATOM 82 N HIS A 67 -18.418 -7.037 14.366 1.00 10.90 N ATOM 83 CA HIS A 67 -19.404 -8.049 13.892 1.00 10.21 C ATOM 84 C HIS A 67 -19.105 -8.413 12.437 1.00 9.43 C ATOM 85 O HIS A 67 -17.975 -8.361 11.994 1.00 9.32 O ATOM 86 CB HIS A 67 -20.818 -7.472 13.995 1.00 10.37 C ATOM 87 CG HIS A 67 -20.992 -6.375 12.981 1.00 10.53 C ATOM 88 ND1 HIS A 67 -20.723 -5.047 13.275 1.00 10.58 N ATOM 89 CD2 HIS A 67 -21.412 -6.392 11.674 1.00 10.88 C ATOM 90 CE1 HIS A 67 -20.982 -4.327 12.169 1.00 10.97 C ATOM 91 NE2 HIS A 67 -21.404 -5.097 11.163 1.00 11.15 N ATOM 0 H HIS A 67 -17.859 -6.599 13.634 1.00 10.90 H new ATOM 0 HA HIS A 67 -19.331 -8.943 14.511 1.00 10.21 H new ATOM 0 HB2 HIS A 67 -21.555 -8.257 13.826 1.00 10.37 H new ATOM 0 HB3 HIS A 67 -20.991 -7.084 14.999 1.00 10.37 H new ATOM 0 HD1 HIS A 67 -20.389 -4.683 14.167 1.00 10.58 H new ATOM 0 HD2 HIS A 67 -21.704 -7.275 11.126 1.00 10.88 H new ATOM 0 HE1 HIS A 67 -20.863 -3.256 12.103 1.00 10.97 H new ATOM 99 N PHE A 68 -20.107 -8.784 11.689 1.00 9.11 N ATOM 100 CA PHE A 68 -19.877 -9.152 10.265 1.00 8.55 C ATOM 101 C PHE A 68 -19.239 -7.973 9.527 1.00 7.46 C ATOM 102 O PHE A 68 -19.295 -6.845 9.974 1.00 7.39 O ATOM 103 CB PHE A 68 -21.213 -9.503 9.606 1.00 8.98 C ATOM 104 CG PHE A 68 -21.038 -10.725 8.737 1.00 9.76 C ATOM 105 CD1 PHE A 68 -20.331 -11.833 9.221 1.00 10.19 C ATOM 106 CD2 PHE A 68 -21.583 -10.749 7.448 1.00 10.29 C ATOM 107 CE1 PHE A 68 -20.171 -12.966 8.415 1.00 11.10 C ATOM 108 CE2 PHE A 68 -21.422 -11.882 6.641 1.00 11.19 C ATOM 109 CZ PHE A 68 -20.716 -12.991 7.125 1.00 11.57 C ATOM 0 H PHE A 68 -21.075 -8.848 12.003 1.00 9.11 H new ATOM 0 HA PHE A 68 -19.210 -10.013 10.217 1.00 8.55 H new ATOM 0 HB2 PHE A 68 -21.969 -9.691 10.369 1.00 8.98 H new ATOM 0 HB3 PHE A 68 -21.567 -8.664 9.006 1.00 8.98 H new ATOM 0 HD1 PHE A 68 -19.910 -11.813 10.215 1.00 10.19 H new ATOM 0 HD2 PHE A 68 -22.128 -9.894 7.076 1.00 10.29 H new ATOM 0 HE1 PHE A 68 -19.627 -13.821 8.788 1.00 11.10 H new ATOM 0 HE2 PHE A 68 -21.842 -11.901 5.646 1.00 11.19 H new ATOM 0 HZ PHE A 68 -20.592 -13.865 6.503 1.00 11.57 H new ATOM 119 N SER A 69 -18.630 -8.226 8.402 1.00 6.86 N ATOM 120 CA SER A 69 -17.987 -7.120 7.637 1.00 6.01 C ATOM 121 C SER A 69 -18.845 -6.777 6.418 1.00 5.07 C ATOM 122 O SER A 69 -18.616 -7.265 5.328 1.00 5.28 O ATOM 123 CB SER A 69 -16.598 -7.563 7.176 1.00 6.54 C ATOM 124 OG SER A 69 -15.813 -6.414 6.886 1.00 7.08 O ATOM 0 H SER A 69 -18.549 -9.151 7.979 1.00 6.86 H new ATOM 0 HA SER A 69 -17.896 -6.241 8.274 1.00 6.01 H new ATOM 0 HB2 SER A 69 -16.118 -8.160 7.951 1.00 6.54 H new ATOM 0 HB3 SER A 69 -16.680 -8.195 6.292 1.00 6.54 H new ATOM 0 HG SER A 69 -14.921 -6.693 6.591 1.00 7.08 H new ATOM 130 N GLU A 70 -19.833 -5.942 6.591 1.00 4.41 N ATOM 131 CA GLU A 70 -20.703 -5.568 5.441 1.00 3.84 C ATOM 132 C GLU A 70 -19.868 -4.858 4.371 1.00 2.84 C ATOM 133 O GLU A 70 -19.833 -5.288 3.236 1.00 3.00 O ATOM 134 CB GLU A 70 -21.822 -4.643 5.922 1.00 4.55 C ATOM 135 CG GLU A 70 -23.150 -5.403 5.920 1.00 5.41 C ATOM 136 CD GLU A 70 -23.723 -5.424 4.502 1.00 6.00 C ATOM 137 OE1 GLU A 70 -22.962 -5.210 3.573 1.00 6.28 O ATOM 138 OE2 GLU A 70 -24.914 -5.655 4.368 1.00 6.49 O ATOM 0 H GLU A 70 -20.075 -5.503 7.479 1.00 4.41 H new ATOM 0 HA GLU A 70 -21.141 -6.470 5.013 1.00 3.84 H new ATOM 0 HB2 GLU A 70 -21.601 -4.279 6.925 1.00 4.55 H new ATOM 0 HB3 GLU A 70 -21.890 -3.769 5.274 1.00 4.55 H new ATOM 0 HG2 GLU A 70 -22.999 -6.421 6.278 1.00 5.41 H new ATOM 0 HG3 GLU A 70 -23.855 -4.927 6.602 1.00 5.41 H new ATOM 145 N PRO A 71 -19.215 -3.789 4.761 1.00 2.18 N ATOM 146 CA PRO A 71 -18.372 -3.012 3.836 1.00 1.51 C ATOM 147 C PRO A 71 -17.258 -3.897 3.274 1.00 1.23 C ATOM 148 O PRO A 71 -16.117 -3.815 3.685 1.00 1.13 O ATOM 149 CB PRO A 71 -17.785 -1.881 4.693 1.00 1.87 C ATOM 150 CG PRO A 71 -18.354 -2.032 6.126 1.00 2.49 C ATOM 151 CD PRO A 71 -19.261 -3.274 6.143 1.00 2.65 C ATOM 0 HA PRO A 71 -18.932 -2.627 2.984 1.00 1.51 H new ATOM 0 HB2 PRO A 71 -16.696 -1.936 4.706 1.00 1.87 H new ATOM 0 HB3 PRO A 71 -18.050 -0.909 4.277 1.00 1.87 H new ATOM 0 HG2 PRO A 71 -17.545 -2.140 6.849 1.00 2.49 H new ATOM 0 HG3 PRO A 71 -18.918 -1.143 6.409 1.00 2.49 H new ATOM 0 HD2 PRO A 71 -18.902 -4.017 6.855 1.00 2.65 H new ATOM 0 HD3 PRO A 71 -20.279 -3.017 6.436 1.00 2.65 H new ATOM 159 N GLU A 72 -17.580 -4.749 2.340 1.00 1.29 N ATOM 160 CA GLU A 72 -16.542 -5.643 1.757 1.00 1.13 C ATOM 161 C GLU A 72 -15.455 -4.805 1.084 1.00 1.00 C ATOM 162 O GLU A 72 -14.462 -4.461 1.693 1.00 0.97 O ATOM 163 CB GLU A 72 -17.187 -6.573 0.729 1.00 1.32 C ATOM 164 CG GLU A 72 -18.206 -7.477 1.424 1.00 1.94 C ATOM 165 CD GLU A 72 -19.618 -7.078 0.991 1.00 2.47 C ATOM 166 OE1 GLU A 72 -19.761 -6.011 0.417 1.00 3.01 O ATOM 167 OE2 GLU A 72 -20.533 -7.846 1.241 1.00 2.89 O ATOM 0 H GLU A 72 -18.518 -4.864 1.956 1.00 1.29 H new ATOM 0 HA GLU A 72 -16.092 -6.239 2.552 1.00 1.13 H new ATOM 0 HB2 GLU A 72 -17.676 -5.988 -0.050 1.00 1.32 H new ATOM 0 HB3 GLU A 72 -16.423 -7.178 0.240 1.00 1.32 H new ATOM 0 HG2 GLU A 72 -18.017 -8.520 1.169 1.00 1.94 H new ATOM 0 HG3 GLU A 72 -18.107 -7.390 2.506 1.00 1.94 H new ATOM 174 N ILE A 73 -15.624 -4.476 -0.169 1.00 0.99 N ATOM 175 CA ILE A 73 -14.581 -3.664 -0.856 1.00 0.91 C ATOM 176 C ILE A 73 -14.238 -2.456 0.021 1.00 0.80 C ATOM 177 O ILE A 73 -13.123 -1.989 0.043 1.00 0.74 O ATOM 178 CB ILE A 73 -15.081 -3.195 -2.233 1.00 1.03 C ATOM 179 CG1 ILE A 73 -15.860 -1.886 -2.084 1.00 1.05 C ATOM 180 CG2 ILE A 73 -15.989 -4.261 -2.852 1.00 1.28 C ATOM 181 CD1 ILE A 73 -16.578 -1.563 -3.395 1.00 1.48 C ATOM 0 H ILE A 73 -16.430 -4.731 -0.740 1.00 0.99 H new ATOM 0 HA ILE A 73 -13.691 -4.274 -1.010 1.00 0.91 H new ATOM 0 HB ILE A 73 -14.222 -3.034 -2.884 1.00 1.03 H new ATOM 0 HG12 ILE A 73 -16.583 -1.972 -1.273 1.00 1.05 H new ATOM 0 HG13 ILE A 73 -15.181 -1.075 -1.820 1.00 1.05 H new ATOM 0 HG21 ILE A 73 -16.338 -3.920 -3.827 1.00 1.28 H new ATOM 0 HG22 ILE A 73 -15.431 -5.190 -2.971 1.00 1.28 H new ATOM 0 HG23 ILE A 73 -16.845 -4.433 -2.200 1.00 1.28 H new ATOM 0 HD11 ILE A 73 -17.132 -0.631 -3.286 1.00 1.48 H new ATOM 0 HD12 ILE A 73 -15.845 -1.459 -4.195 1.00 1.48 H new ATOM 0 HD13 ILE A 73 -17.269 -2.369 -3.639 1.00 1.48 H new ATOM 193 N THR A 74 -15.193 -1.947 0.749 1.00 0.81 N ATOM 194 CA THR A 74 -14.907 -0.779 1.624 1.00 0.76 C ATOM 195 C THR A 74 -13.710 -1.117 2.511 1.00 0.68 C ATOM 196 O THR A 74 -12.779 -0.344 2.648 1.00 0.62 O ATOM 197 CB THR A 74 -16.127 -0.480 2.496 1.00 0.86 C ATOM 198 OG1 THR A 74 -17.143 -1.437 2.228 1.00 1.35 O ATOM 199 CG2 THR A 74 -16.653 0.923 2.186 1.00 1.19 C ATOM 0 H THR A 74 -16.154 -2.288 0.775 1.00 0.81 H new ATOM 0 HA THR A 74 -14.684 0.098 1.016 1.00 0.76 H new ATOM 0 HB THR A 74 -15.842 -0.533 3.547 1.00 0.86 H new ATOM 0 HG1 THR A 74 -17.991 -0.975 2.058 1.00 1.35 H new ATOM 0 HG21 THR A 74 -17.522 1.132 2.810 1.00 1.19 H new ATOM 0 HG22 THR A 74 -15.874 1.657 2.392 1.00 1.19 H new ATOM 0 HG23 THR A 74 -16.938 0.981 1.135 1.00 1.19 H new ATOM 207 N LEU A 75 -13.721 -2.275 3.110 1.00 0.72 N ATOM 208 CA LEU A 75 -12.579 -2.664 3.980 1.00 0.69 C ATOM 209 C LEU A 75 -11.415 -3.135 3.110 1.00 0.58 C ATOM 210 O LEU A 75 -10.288 -2.736 3.312 1.00 0.50 O ATOM 211 CB LEU A 75 -12.999 -3.794 4.925 1.00 0.82 C ATOM 212 CG LEU A 75 -12.384 -3.568 6.309 1.00 0.88 C ATOM 213 CD1 LEU A 75 -12.502 -4.850 7.134 1.00 0.87 C ATOM 214 CD2 LEU A 75 -10.907 -3.194 6.164 1.00 1.02 C ATOM 0 H LEU A 75 -14.468 -2.965 3.035 1.00 0.72 H new ATOM 0 HA LEU A 75 -12.271 -1.801 4.571 1.00 0.69 H new ATOM 0 HB2 LEU A 75 -14.086 -3.831 5.002 1.00 0.82 H new ATOM 0 HB3 LEU A 75 -12.674 -4.755 4.525 1.00 0.82 H new ATOM 0 HG LEU A 75 -12.915 -2.758 6.810 1.00 0.88 H new ATOM 0 HD11 LEU A 75 -12.064 -4.690 8.119 1.00 0.87 H new ATOM 0 HD12 LEU A 75 -13.553 -5.117 7.243 1.00 0.87 H new ATOM 0 HD13 LEU A 75 -11.973 -5.658 6.629 1.00 0.87 H new ATOM 0 HD21 LEU A 75 -10.474 -3.034 7.151 1.00 1.02 H new ATOM 0 HD22 LEU A 75 -10.375 -4.001 5.661 1.00 1.02 H new ATOM 0 HD23 LEU A 75 -10.819 -2.280 5.577 1.00 1.02 H new ATOM 226 N ILE A 76 -11.663 -3.984 2.148 1.00 0.62 N ATOM 227 CA ILE A 76 -10.535 -4.456 1.300 1.00 0.57 C ATOM 228 C ILE A 76 -9.848 -3.249 0.653 1.00 0.45 C ATOM 229 O ILE A 76 -8.642 -3.112 0.709 1.00 0.38 O ATOM 230 CB ILE A 76 -11.068 -5.390 0.210 1.00 0.69 C ATOM 231 CG1 ILE A 76 -11.848 -6.536 0.861 1.00 0.91 C ATOM 232 CG2 ILE A 76 -9.898 -5.963 -0.590 1.00 0.76 C ATOM 233 CD1 ILE A 76 -12.687 -7.247 -0.202 1.00 1.10 C ATOM 0 H ILE A 76 -12.581 -4.364 1.917 1.00 0.62 H new ATOM 0 HA ILE A 76 -9.817 -4.997 1.916 1.00 0.57 H new ATOM 0 HB ILE A 76 -11.725 -4.832 -0.457 1.00 0.69 H new ATOM 0 HG12 ILE A 76 -11.159 -7.240 1.328 1.00 0.91 H new ATOM 0 HG13 ILE A 76 -12.493 -6.150 1.651 1.00 0.91 H new ATOM 0 HG21 ILE A 76 -10.278 -6.628 -1.366 1.00 0.76 H new ATOM 0 HG22 ILE A 76 -9.340 -5.149 -1.052 1.00 0.76 H new ATOM 0 HG23 ILE A 76 -9.241 -6.522 0.076 1.00 0.76 H new ATOM 0 HD11 ILE A 76 -13.243 -8.063 0.259 1.00 1.10 H new ATOM 0 HD12 ILE A 76 -13.385 -6.539 -0.648 1.00 1.10 H new ATOM 0 HD13 ILE A 76 -12.031 -7.646 -0.976 1.00 1.10 H new ATOM 245 N ILE A 77 -10.601 -2.351 0.067 1.00 0.44 N ATOM 246 CA ILE A 77 -9.966 -1.147 -0.538 1.00 0.36 C ATOM 247 C ILE A 77 -9.186 -0.403 0.548 1.00 0.28 C ATOM 248 O ILE A 77 -8.044 -0.027 0.370 1.00 0.25 O ATOM 249 CB ILE A 77 -11.040 -0.236 -1.142 1.00 0.39 C ATOM 250 CG1 ILE A 77 -10.379 0.777 -2.078 1.00 1.21 C ATOM 251 CG2 ILE A 77 -11.775 0.508 -0.028 1.00 1.18 C ATOM 252 CD1 ILE A 77 -11.308 1.064 -3.259 1.00 1.58 C ATOM 0 H ILE A 77 -11.616 -2.401 -0.017 1.00 0.44 H new ATOM 0 HA ILE A 77 -9.285 -1.448 -1.334 1.00 0.36 H new ATOM 0 HB ILE A 77 -11.753 -0.842 -1.701 1.00 0.39 H new ATOM 0 HG12 ILE A 77 -10.164 1.699 -1.539 1.00 1.21 H new ATOM 0 HG13 ILE A 77 -9.426 0.388 -2.437 1.00 1.21 H new ATOM 0 HG21 ILE A 77 -12.537 1.154 -0.463 1.00 1.18 H new ATOM 0 HG22 ILE A 77 -12.248 -0.212 0.640 1.00 1.18 H new ATOM 0 HG23 ILE A 77 -11.065 1.113 0.535 1.00 1.18 H new ATOM 0 HD11 ILE A 77 -10.837 1.786 -3.926 1.00 1.58 H new ATOM 0 HD12 ILE A 77 -11.501 0.140 -3.803 1.00 1.58 H new ATOM 0 HD13 ILE A 77 -12.250 1.471 -2.891 1.00 1.58 H new ATOM 264 N PHE A 78 -9.806 -0.197 1.684 1.00 0.31 N ATOM 265 CA PHE A 78 -9.113 0.514 2.800 1.00 0.32 C ATOM 266 C PHE A 78 -7.825 -0.227 3.157 1.00 0.30 C ATOM 267 O PHE A 78 -6.778 0.366 3.313 1.00 0.30 O ATOM 268 CB PHE A 78 -10.024 0.568 4.032 1.00 0.41 C ATOM 269 CG PHE A 78 -10.722 1.907 4.086 1.00 0.80 C ATOM 270 CD1 PHE A 78 -10.965 2.619 2.906 1.00 1.52 C ATOM 271 CD2 PHE A 78 -11.125 2.436 5.318 1.00 1.66 C ATOM 272 CE1 PHE A 78 -11.612 3.859 2.957 1.00 1.97 C ATOM 273 CE2 PHE A 78 -11.771 3.677 5.369 1.00 2.09 C ATOM 274 CZ PHE A 78 -12.015 4.389 4.189 1.00 1.95 C ATOM 0 H PHE A 78 -10.762 -0.491 1.885 1.00 0.31 H new ATOM 0 HA PHE A 78 -8.877 1.529 2.482 1.00 0.32 H new ATOM 0 HB2 PHE A 78 -10.759 -0.236 3.989 1.00 0.41 H new ATOM 0 HB3 PHE A 78 -9.437 0.415 4.938 1.00 0.41 H new ATOM 0 HD1 PHE A 78 -10.653 2.211 1.956 1.00 1.52 H new ATOM 0 HD2 PHE A 78 -10.938 1.887 6.229 1.00 1.66 H new ATOM 0 HE1 PHE A 78 -11.801 4.407 2.046 1.00 1.97 H new ATOM 0 HE2 PHE A 78 -12.081 4.085 6.320 1.00 2.09 H new ATOM 0 HZ PHE A 78 -12.514 5.346 4.229 1.00 1.95 H new ATOM 284 N GLY A 79 -7.898 -1.523 3.295 1.00 0.31 N ATOM 285 CA GLY A 79 -6.682 -2.305 3.651 1.00 0.32 C ATOM 286 C GLY A 79 -5.586 -2.049 2.617 1.00 0.26 C ATOM 287 O GLY A 79 -4.449 -1.791 2.960 1.00 0.26 O ATOM 0 H GLY A 79 -8.748 -2.074 3.176 1.00 0.31 H new ATOM 0 HA2 GLY A 79 -6.333 -2.021 4.644 1.00 0.32 H new ATOM 0 HA3 GLY A 79 -6.919 -3.368 3.688 1.00 0.32 H new ATOM 291 N VAL A 80 -5.910 -2.110 1.351 1.00 0.23 N ATOM 292 CA VAL A 80 -4.867 -1.857 0.318 1.00 0.22 C ATOM 293 C VAL A 80 -4.263 -0.471 0.564 1.00 0.21 C ATOM 294 O VAL A 80 -3.058 -0.303 0.606 1.00 0.22 O ATOM 295 CB VAL A 80 -5.505 -1.912 -1.071 1.00 0.24 C ATOM 296 CG1 VAL A 80 -4.415 -1.815 -2.140 1.00 0.28 C ATOM 297 CG2 VAL A 80 -6.257 -3.239 -1.232 1.00 0.28 C ATOM 0 H VAL A 80 -6.841 -2.322 0.993 1.00 0.23 H new ATOM 0 HA VAL A 80 -4.085 -2.614 0.377 1.00 0.22 H new ATOM 0 HB VAL A 80 -6.200 -1.080 -1.184 1.00 0.24 H new ATOM 0 HG11 VAL A 80 -4.871 -1.854 -3.129 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -3.876 -0.874 -2.026 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -3.720 -2.647 -2.028 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -6.713 -3.281 -2.221 1.00 0.28 H new ATOM 0 HG22 VAL A 80 -5.559 -4.069 -1.118 1.00 0.28 H new ATOM 0 HG23 VAL A 80 -7.034 -3.312 -0.471 1.00 0.28 H new ATOM 307 N MET A 81 -5.094 0.518 0.763 1.00 0.22 N ATOM 308 CA MET A 81 -4.570 1.882 1.048 1.00 0.25 C ATOM 309 C MET A 81 -3.678 1.808 2.288 1.00 0.27 C ATOM 310 O MET A 81 -2.582 2.331 2.319 1.00 0.28 O ATOM 311 CB MET A 81 -5.737 2.839 1.306 1.00 0.29 C ATOM 312 CG MET A 81 -6.634 2.898 0.068 1.00 0.36 C ATOM 313 SD MET A 81 -8.292 3.445 0.550 1.00 1.07 S ATOM 314 CE MET A 81 -7.833 5.109 1.095 1.00 1.70 C ATOM 0 H MET A 81 -6.111 0.439 0.740 1.00 0.22 H new ATOM 0 HA MET A 81 -3.996 2.249 0.197 1.00 0.25 H new ATOM 0 HB2 MET A 81 -6.312 2.503 2.169 1.00 0.29 H new ATOM 0 HB3 MET A 81 -5.360 3.834 1.542 1.00 0.29 H new ATOM 0 HG2 MET A 81 -6.213 3.583 -0.667 1.00 0.36 H new ATOM 0 HG3 MET A 81 -6.686 1.917 -0.404 1.00 0.36 H new ATOM 0 HE1 MET A 81 -8.731 5.717 1.204 1.00 1.70 H new ATOM 0 HE2 MET A 81 -7.317 5.049 2.053 1.00 1.70 H new ATOM 0 HE3 MET A 81 -7.174 5.565 0.356 1.00 1.70 H new ATOM 324 N ALA A 82 -4.156 1.152 3.312 1.00 0.28 N ATOM 325 CA ALA A 82 -3.367 1.016 4.566 1.00 0.32 C ATOM 326 C ALA A 82 -2.012 0.371 4.254 1.00 0.30 C ATOM 327 O ALA A 82 -0.986 0.820 4.725 1.00 0.30 O ATOM 328 CB ALA A 82 -4.141 0.171 5.589 1.00 0.37 C ATOM 0 H ALA A 82 -5.070 0.700 3.331 1.00 0.28 H new ATOM 0 HA ALA A 82 -3.198 2.004 4.994 1.00 0.32 H new ATOM 0 HB1 ALA A 82 -3.554 0.078 6.503 1.00 0.37 H new ATOM 0 HB2 ALA A 82 -5.091 0.654 5.816 1.00 0.37 H new ATOM 0 HB3 ALA A 82 -4.328 -0.820 5.175 1.00 0.37 H new ATOM 334 N GLY A 83 -1.989 -0.683 3.476 1.00 0.28 N ATOM 335 CA GLY A 83 -0.688 -1.335 3.167 1.00 0.27 C ATOM 336 C GLY A 83 0.255 -0.302 2.555 1.00 0.23 C ATOM 337 O GLY A 83 1.399 -0.187 2.951 1.00 0.23 O ATOM 0 H GLY A 83 -2.808 -1.114 3.047 1.00 0.28 H new ATOM 0 HA2 GLY A 83 -0.251 -1.752 4.075 1.00 0.27 H new ATOM 0 HA3 GLY A 83 -0.838 -2.164 2.475 1.00 0.27 H new ATOM 341 N VAL A 84 -0.206 0.465 1.603 1.00 0.21 N ATOM 342 CA VAL A 84 0.692 1.492 1.000 1.00 0.19 C ATOM 343 C VAL A 84 1.206 2.414 2.113 1.00 0.20 C ATOM 344 O VAL A 84 2.388 2.690 2.210 1.00 0.19 O ATOM 345 CB VAL A 84 -0.084 2.316 -0.027 1.00 0.22 C ATOM 346 CG1 VAL A 84 0.820 3.418 -0.586 1.00 0.28 C ATOM 347 CG2 VAL A 84 -0.544 1.409 -1.172 1.00 0.27 C ATOM 0 H VAL A 84 -1.151 0.427 1.221 1.00 0.21 H new ATOM 0 HA VAL A 84 1.531 1.003 0.504 1.00 0.19 H new ATOM 0 HB VAL A 84 -0.954 2.765 0.453 1.00 0.22 H new ATOM 0 HG11 VAL A 84 0.267 4.006 -1.318 1.00 0.28 H new ATOM 0 HG12 VAL A 84 1.148 4.066 0.226 1.00 0.28 H new ATOM 0 HG13 VAL A 84 1.690 2.967 -1.064 1.00 0.28 H new ATOM 0 HG21 VAL A 84 -1.097 1.998 -1.903 1.00 0.27 H new ATOM 0 HG22 VAL A 84 0.325 0.959 -1.651 1.00 0.27 H new ATOM 0 HG23 VAL A 84 -1.188 0.623 -0.777 1.00 0.27 H new ATOM 357 N ILE A 85 0.329 2.882 2.963 1.00 0.23 N ATOM 358 CA ILE A 85 0.762 3.773 4.078 1.00 0.27 C ATOM 359 C ILE A 85 1.822 3.058 4.923 1.00 0.27 C ATOM 360 O ILE A 85 2.847 3.621 5.258 1.00 0.28 O ATOM 361 CB ILE A 85 -0.442 4.116 4.956 1.00 0.33 C ATOM 362 CG1 ILE A 85 -1.538 4.746 4.093 1.00 0.67 C ATOM 363 CG2 ILE A 85 -0.018 5.107 6.042 1.00 0.75 C ATOM 364 CD1 ILE A 85 -2.778 5.008 4.949 1.00 1.20 C ATOM 0 H ILE A 85 -0.671 2.684 2.932 1.00 0.23 H new ATOM 0 HA ILE A 85 1.183 4.690 3.665 1.00 0.27 H new ATOM 0 HB ILE A 85 -0.821 3.207 5.422 1.00 0.33 H new ATOM 0 HG12 ILE A 85 -1.181 5.679 3.657 1.00 0.67 H new ATOM 0 HG13 ILE A 85 -1.789 4.083 3.265 1.00 0.67 H new ATOM 0 HG21 ILE A 85 -0.877 5.351 6.667 1.00 0.75 H new ATOM 0 HG22 ILE A 85 0.763 4.661 6.657 1.00 0.75 H new ATOM 0 HG23 ILE A 85 0.362 6.016 5.576 1.00 0.75 H new ATOM 0 HD11 ILE A 85 -3.557 5.457 4.333 1.00 1.20 H new ATOM 0 HD12 ILE A 85 -3.140 4.067 5.363 1.00 1.20 H new ATOM 0 HD13 ILE A 85 -2.522 5.688 5.762 1.00 1.20 H new ATOM 376 N GLY A 86 1.582 1.823 5.274 1.00 0.29 N ATOM 377 CA GLY A 86 2.567 1.070 6.101 1.00 0.33 C ATOM 378 C GLY A 86 3.922 1.053 5.393 1.00 0.30 C ATOM 379 O GLY A 86 4.947 1.306 5.993 1.00 0.33 O ATOM 0 H GLY A 86 0.742 1.302 5.022 1.00 0.29 H new ATOM 0 HA2 GLY A 86 2.664 1.534 7.082 1.00 0.33 H new ATOM 0 HA3 GLY A 86 2.217 0.051 6.264 1.00 0.33 H new ATOM 383 N THR A 87 3.940 0.757 4.123 1.00 0.25 N ATOM 384 CA THR A 87 5.237 0.727 3.390 1.00 0.25 C ATOM 385 C THR A 87 5.924 2.085 3.538 1.00 0.26 C ATOM 386 O THR A 87 7.097 2.166 3.846 1.00 0.32 O ATOM 387 CB THR A 87 4.980 0.439 1.909 1.00 0.24 C ATOM 388 OG1 THR A 87 4.531 -0.901 1.761 1.00 0.34 O ATOM 389 CG2 THR A 87 6.273 0.637 1.116 1.00 0.31 C ATOM 0 H THR A 87 3.117 0.535 3.563 1.00 0.25 H new ATOM 0 HA THR A 87 5.876 -0.054 3.801 1.00 0.25 H new ATOM 0 HB THR A 87 4.219 1.122 1.532 1.00 0.24 H new ATOM 0 HG1 THR A 87 4.730 -1.405 2.578 1.00 0.34 H new ATOM 0 HG21 THR A 87 6.088 0.431 0.062 1.00 0.31 H new ATOM 0 HG22 THR A 87 6.616 1.665 1.231 1.00 0.31 H new ATOM 0 HG23 THR A 87 7.037 -0.044 1.490 1.00 0.31 H new ATOM 397 N ILE A 88 5.204 3.155 3.335 1.00 0.24 N ATOM 398 CA ILE A 88 5.824 4.502 3.480 1.00 0.33 C ATOM 399 C ILE A 88 6.410 4.634 4.888 1.00 0.39 C ATOM 400 O ILE A 88 7.532 5.064 5.070 1.00 0.47 O ATOM 401 CB ILE A 88 4.758 5.580 3.270 1.00 0.37 C ATOM 402 CG1 ILE A 88 4.154 5.434 1.872 1.00 0.39 C ATOM 403 CG2 ILE A 88 5.396 6.963 3.408 1.00 0.47 C ATOM 404 CD1 ILE A 88 3.085 6.508 1.665 1.00 0.49 C ATOM 0 H ILE A 88 4.217 3.155 3.076 1.00 0.24 H new ATOM 0 HA ILE A 88 6.614 4.625 2.739 1.00 0.33 H new ATOM 0 HB ILE A 88 3.974 5.466 4.019 1.00 0.37 H new ATOM 0 HG12 ILE A 88 4.933 5.530 1.116 1.00 0.39 H new ATOM 0 HG13 ILE A 88 3.716 4.443 1.755 1.00 0.39 H new ATOM 0 HG21 ILE A 88 4.637 7.731 3.258 1.00 0.47 H new ATOM 0 HG22 ILE A 88 5.826 7.067 4.404 1.00 0.47 H new ATOM 0 HG23 ILE A 88 6.180 7.078 2.660 1.00 0.47 H new ATOM 0 HD11 ILE A 88 2.654 6.405 0.669 1.00 0.49 H new ATOM 0 HD12 ILE A 88 2.301 6.391 2.414 1.00 0.49 H new ATOM 0 HD13 ILE A 88 3.537 7.495 1.764 1.00 0.49 H new ATOM 416 N LEU A 89 5.655 4.260 5.885 1.00 0.39 N ATOM 417 CA LEU A 89 6.157 4.353 7.283 1.00 0.49 C ATOM 418 C LEU A 89 7.459 3.546 7.402 1.00 0.53 C ATOM 419 O LEU A 89 8.437 4.006 7.957 1.00 0.62 O ATOM 420 CB LEU A 89 5.067 3.823 8.243 1.00 0.53 C ATOM 421 CG LEU A 89 5.599 2.691 9.133 1.00 0.59 C ATOM 422 CD1 LEU A 89 6.642 3.251 10.103 1.00 0.68 C ATOM 423 CD2 LEU A 89 4.442 2.081 9.927 1.00 0.65 C ATOM 0 H LEU A 89 4.708 3.893 5.790 1.00 0.39 H new ATOM 0 HA LEU A 89 6.374 5.387 7.551 1.00 0.49 H new ATOM 0 HB2 LEU A 89 4.705 4.639 8.869 1.00 0.53 H new ATOM 0 HB3 LEU A 89 4.216 3.463 7.665 1.00 0.53 H new ATOM 0 HG LEU A 89 6.058 1.924 8.509 1.00 0.59 H new ATOM 0 HD11 LEU A 89 7.020 2.447 10.735 1.00 0.68 H new ATOM 0 HD12 LEU A 89 7.466 3.687 9.539 1.00 0.68 H new ATOM 0 HD13 LEU A 89 6.184 4.018 10.727 1.00 0.68 H new ATOM 0 HD21 LEU A 89 4.819 1.277 10.559 1.00 0.65 H new ATOM 0 HD22 LEU A 89 3.984 2.849 10.551 1.00 0.65 H new ATOM 0 HD23 LEU A 89 3.698 1.682 9.238 1.00 0.65 H new ATOM 435 N LEU A 90 7.473 2.348 6.885 1.00 0.49 N ATOM 436 CA LEU A 90 8.712 1.518 6.972 1.00 0.57 C ATOM 437 C LEU A 90 9.877 2.281 6.340 1.00 0.60 C ATOM 438 O LEU A 90 10.951 2.366 6.901 1.00 0.71 O ATOM 439 CB LEU A 90 8.512 0.193 6.227 1.00 0.56 C ATOM 440 CG LEU A 90 8.201 -0.917 7.233 1.00 1.24 C ATOM 441 CD1 LEU A 90 6.838 -0.661 7.878 1.00 1.76 C ATOM 442 CD2 LEU A 90 8.174 -2.267 6.511 1.00 1.92 C ATOM 0 H LEU A 90 6.686 1.908 6.408 1.00 0.49 H new ATOM 0 HA LEU A 90 8.929 1.310 8.020 1.00 0.57 H new ATOM 0 HB2 LEU A 90 7.697 0.287 5.509 1.00 0.56 H new ATOM 0 HB3 LEU A 90 9.409 -0.056 5.660 1.00 0.56 H new ATOM 0 HG LEU A 90 8.971 -0.929 8.005 1.00 1.24 H new ATOM 0 HD11 LEU A 90 6.620 -1.453 8.594 1.00 1.76 H new ATOM 0 HD12 LEU A 90 6.854 0.299 8.393 1.00 1.76 H new ATOM 0 HD13 LEU A 90 6.068 -0.646 7.107 1.00 1.76 H new ATOM 0 HD21 LEU A 90 7.952 -3.058 7.227 1.00 1.92 H new ATOM 0 HD22 LEU A 90 7.405 -2.251 5.738 1.00 1.92 H new ATOM 0 HD23 LEU A 90 9.145 -2.454 6.053 1.00 1.92 H new ATOM 454 N ILE A 91 9.678 2.839 5.177 1.00 0.55 N ATOM 455 CA ILE A 91 10.782 3.596 4.523 1.00 0.65 C ATOM 456 C ILE A 91 11.257 4.704 5.460 1.00 0.75 C ATOM 457 O ILE A 91 12.440 4.875 5.676 1.00 0.87 O ATOM 458 CB ILE A 91 10.281 4.209 3.214 1.00 0.63 C ATOM 459 CG1 ILE A 91 9.757 3.098 2.302 1.00 0.58 C ATOM 460 CG2 ILE A 91 11.428 4.940 2.517 1.00 0.75 C ATOM 461 CD1 ILE A 91 8.950 3.714 1.157 1.00 0.66 C ATOM 0 H ILE A 91 8.803 2.804 4.654 1.00 0.55 H new ATOM 0 HA ILE A 91 11.610 2.920 4.308 1.00 0.65 H new ATOM 0 HB ILE A 91 9.479 4.916 3.428 1.00 0.63 H new ATOM 0 HG12 ILE A 91 10.589 2.518 1.903 1.00 0.58 H new ATOM 0 HG13 ILE A 91 9.133 2.410 2.872 1.00 0.58 H new ATOM 0 HG21 ILE A 91 11.069 5.376 1.585 1.00 0.75 H new ATOM 0 HG22 ILE A 91 11.803 5.731 3.166 1.00 0.75 H new ATOM 0 HG23 ILE A 91 12.231 4.235 2.302 1.00 0.75 H new ATOM 0 HD11 ILE A 91 8.577 2.922 0.508 1.00 0.66 H new ATOM 0 HD12 ILE A 91 8.109 4.275 1.565 1.00 0.66 H new ATOM 0 HD13 ILE A 91 9.588 4.385 0.582 1.00 0.66 H new ATOM 473 N SER A 92 10.354 5.454 6.029 1.00 0.73 N ATOM 474 CA SER A 92 10.791 6.533 6.955 1.00 0.87 C ATOM 475 C SER A 92 11.625 5.905 8.069 1.00 0.94 C ATOM 476 O SER A 92 12.700 6.367 8.391 1.00 1.07 O ATOM 477 CB SER A 92 9.567 7.223 7.559 1.00 0.86 C ATOM 478 OG SER A 92 9.237 6.598 8.792 1.00 1.29 O ATOM 0 H SER A 92 9.347 5.368 5.895 1.00 0.73 H new ATOM 0 HA SER A 92 11.382 7.272 6.414 1.00 0.87 H new ATOM 0 HB2 SER A 92 9.773 8.281 7.718 1.00 0.86 H new ATOM 0 HB3 SER A 92 8.724 7.163 6.870 1.00 0.86 H new ATOM 0 HG SER A 92 8.821 5.728 8.617 1.00 1.29 H new ATOM 484 N TYR A 93 11.146 4.840 8.651 1.00 0.89 N ATOM 485 CA TYR A 93 11.925 4.175 9.730 1.00 1.00 C ATOM 486 C TYR A 93 13.301 3.774 9.189 1.00 1.05 C ATOM 487 O TYR A 93 14.317 4.017 9.808 1.00 1.18 O ATOM 488 CB TYR A 93 11.178 2.925 10.201 1.00 0.96 C ATOM 489 CG TYR A 93 11.057 2.946 11.706 1.00 1.27 C ATOM 490 CD1 TYR A 93 12.193 3.155 12.496 1.00 1.62 C ATOM 491 CD2 TYR A 93 9.809 2.754 12.310 1.00 2.13 C ATOM 492 CE1 TYR A 93 12.082 3.172 13.892 1.00 1.95 C ATOM 493 CE2 TYR A 93 9.698 2.772 13.706 1.00 2.53 C ATOM 494 CZ TYR A 93 10.834 2.981 14.496 1.00 2.15 C ATOM 495 OH TYR A 93 10.725 2.997 15.872 1.00 2.64 O ATOM 0 H TYR A 93 10.252 4.404 8.426 1.00 0.89 H new ATOM 0 HA TYR A 93 12.048 4.861 10.568 1.00 1.00 H new ATOM 0 HB2 TYR A 93 10.188 2.888 9.747 1.00 0.96 H new ATOM 0 HB3 TYR A 93 11.710 2.029 9.881 1.00 0.96 H new ATOM 0 HD1 TYR A 93 13.156 3.303 12.029 1.00 1.62 H new ATOM 0 HD2 TYR A 93 8.933 2.592 11.700 1.00 2.13 H new ATOM 0 HE1 TYR A 93 12.959 3.332 14.502 1.00 1.95 H new ATOM 0 HE2 TYR A 93 8.735 2.625 14.173 1.00 2.53 H new ATOM 0 HH TYR A 93 9.790 2.850 16.128 1.00 2.64 H new ATOM 505 N GLY A 94 13.340 3.157 8.034 1.00 0.97 N ATOM 506 CA GLY A 94 14.647 2.739 7.454 1.00 1.05 C ATOM 507 C GLY A 94 15.559 3.954 7.298 1.00 1.16 C ATOM 508 O GLY A 94 16.714 3.926 7.671 1.00 1.29 O ATOM 0 H GLY A 94 12.522 2.926 7.470 1.00 0.97 H new ATOM 0 HA2 GLY A 94 15.120 1.998 8.099 1.00 1.05 H new ATOM 0 HA3 GLY A 94 14.490 2.265 6.485 1.00 1.05 H new ATOM 512 N ILE A 95 15.053 5.026 6.749 1.00 1.14 N ATOM 513 CA ILE A 95 15.909 6.237 6.576 1.00 1.29 C ATOM 514 C ILE A 95 16.454 6.662 7.947 1.00 1.41 C ATOM 515 O ILE A 95 17.632 6.922 8.107 1.00 1.55 O ATOM 516 CB ILE A 95 15.094 7.375 5.920 1.00 1.28 C ATOM 517 CG1 ILE A 95 15.988 8.119 4.926 1.00 1.74 C ATOM 518 CG2 ILE A 95 14.577 8.369 6.970 1.00 1.77 C ATOM 519 CD1 ILE A 95 15.254 8.268 3.593 1.00 2.19 C ATOM 0 H ILE A 95 14.093 5.116 6.415 1.00 1.14 H new ATOM 0 HA ILE A 95 16.748 6.010 5.918 1.00 1.29 H new ATOM 0 HB ILE A 95 14.236 6.935 5.412 1.00 1.28 H new ATOM 0 HG12 ILE A 95 16.250 9.101 5.321 1.00 1.74 H new ATOM 0 HG13 ILE A 95 16.921 7.574 4.781 1.00 1.74 H new ATOM 0 HG21 ILE A 95 14.008 9.157 6.476 1.00 1.77 H new ATOM 0 HG22 ILE A 95 13.934 7.847 7.679 1.00 1.77 H new ATOM 0 HG23 ILE A 95 15.421 8.809 7.501 1.00 1.77 H new ATOM 0 HD11 ILE A 95 15.890 8.798 2.884 1.00 2.19 H new ATOM 0 HD12 ILE A 95 15.014 7.281 3.197 1.00 2.19 H new ATOM 0 HD13 ILE A 95 14.333 8.831 3.746 1.00 2.19 H new ATOM 531 N ARG A 96 15.606 6.722 8.937 1.00 1.37 N ATOM 532 CA ARG A 96 16.070 7.117 10.297 1.00 1.51 C ATOM 533 C ARG A 96 17.182 6.167 10.745 1.00 1.58 C ATOM 534 O ARG A 96 18.209 6.582 11.241 1.00 1.73 O ATOM 535 CB ARG A 96 14.905 7.031 11.284 1.00 1.46 C ATOM 536 CG ARG A 96 13.944 8.198 11.047 1.00 1.73 C ATOM 537 CD ARG A 96 12.787 8.111 12.043 1.00 2.03 C ATOM 538 NE ARG A 96 11.506 7.931 11.303 1.00 2.00 N ATOM 539 CZ ARG A 96 10.440 7.524 11.934 1.00 2.45 C ATOM 540 NH1 ARG A 96 10.392 6.313 12.422 1.00 2.76 N ATOM 541 NH2 ARG A 96 9.420 8.325 12.077 1.00 3.14 N ATOM 0 H ARG A 96 14.610 6.514 8.862 1.00 1.37 H new ATOM 0 HA ARG A 96 16.446 8.140 10.269 1.00 1.51 H new ATOM 0 HB2 ARG A 96 14.380 6.084 11.161 1.00 1.46 H new ATOM 0 HB3 ARG A 96 15.279 7.057 12.307 1.00 1.46 H new ATOM 0 HG2 ARG A 96 14.469 9.146 11.164 1.00 1.73 H new ATOM 0 HG3 ARG A 96 13.563 8.169 10.026 1.00 1.73 H new ATOM 0 HD2 ARG A 96 12.944 7.277 12.727 1.00 2.03 H new ATOM 0 HD3 ARG A 96 12.745 9.017 12.648 1.00 2.03 H new ATOM 0 HE ARG A 96 11.463 8.126 10.303 1.00 2.00 H new ATOM 0 HH11 ARG A 96 11.188 5.686 12.309 1.00 2.76 H new ATOM 0 HH12 ARG A 96 9.558 5.995 12.916 1.00 2.76 H new ATOM 0 HH21 ARG A 96 9.456 9.270 11.695 1.00 3.14 H new ATOM 0 HH22 ARG A 96 8.586 8.006 12.571 1.00 3.14 H new ATOM 555 N ARG A 97 16.977 4.891 10.584 1.00 1.50 N ATOM 556 CA ARG A 97 18.019 3.911 11.010 1.00 1.59 C ATOM 557 C ARG A 97 19.341 4.214 10.303 1.00 1.69 C ATOM 558 O ARG A 97 20.386 4.246 10.919 1.00 1.84 O ATOM 559 CB ARG A 97 17.573 2.484 10.670 1.00 1.50 C ATOM 560 CG ARG A 97 17.694 1.604 11.914 1.00 1.77 C ATOM 561 CD ARG A 97 17.149 0.208 11.606 1.00 2.23 C ATOM 562 NE ARG A 97 17.091 -0.596 12.860 1.00 2.70 N ATOM 563 CZ ARG A 97 18.024 -0.468 13.765 1.00 3.07 C ATOM 564 NH1 ARG A 97 19.232 -0.897 13.519 1.00 3.58 N ATOM 565 NH2 ARG A 97 17.748 0.089 14.913 1.00 3.56 N ATOM 0 H ARG A 97 16.136 4.482 10.177 1.00 1.50 H new ATOM 0 HA ARG A 97 18.158 3.995 12.088 1.00 1.59 H new ATOM 0 HB2 ARG A 97 16.543 2.488 10.313 1.00 1.50 H new ATOM 0 HB3 ARG A 97 18.188 2.081 9.865 1.00 1.50 H new ATOM 0 HG2 ARG A 97 18.736 1.538 12.226 1.00 1.77 H new ATOM 0 HG3 ARG A 97 17.141 2.048 12.742 1.00 1.77 H new ATOM 0 HD2 ARG A 97 16.155 0.284 11.165 1.00 2.23 H new ATOM 0 HD3 ARG A 97 17.786 -0.288 10.873 1.00 2.23 H new ATOM 0 HE ARG A 97 16.321 -1.248 13.012 1.00 2.70 H new ATOM 0 HH11 ARG A 97 19.446 -1.331 12.621 1.00 3.58 H new ATOM 0 HH12 ARG A 97 19.962 -0.798 14.225 1.00 3.58 H new ATOM 0 HH21 ARG A 97 16.804 0.424 15.103 1.00 3.56 H new ATOM 0 HH22 ARG A 97 18.477 0.189 15.620 1.00 3.56 H new ATOM 579 N LEU A 98 19.314 4.433 9.018 1.00 1.64 N ATOM 580 CA LEU A 98 20.583 4.727 8.297 1.00 1.75 C ATOM 581 C LEU A 98 21.248 5.946 8.948 1.00 1.91 C ATOM 582 O LEU A 98 22.431 5.946 9.225 1.00 2.05 O ATOM 583 CB LEU A 98 20.285 4.963 6.797 1.00 1.69 C ATOM 584 CG LEU A 98 20.408 6.446 6.412 1.00 2.11 C ATOM 585 CD1 LEU A 98 21.885 6.850 6.381 1.00 2.66 C ATOM 586 CD2 LEU A 98 19.799 6.659 5.026 1.00 2.38 C ATOM 0 H LEU A 98 18.474 4.421 8.439 1.00 1.64 H new ATOM 0 HA LEU A 98 21.270 3.884 8.365 1.00 1.75 H new ATOM 0 HB2 LEU A 98 20.975 4.373 6.193 1.00 1.69 H new ATOM 0 HB3 LEU A 98 19.279 4.611 6.567 1.00 1.69 H new ATOM 0 HG LEU A 98 19.881 7.055 7.146 1.00 2.11 H new ATOM 0 HD11 LEU A 98 21.969 7.902 6.108 1.00 2.66 H new ATOM 0 HD12 LEU A 98 22.325 6.695 7.366 1.00 2.66 H new ATOM 0 HD13 LEU A 98 22.413 6.241 5.647 1.00 2.66 H new ATOM 0 HD21 LEU A 98 19.884 7.710 4.749 1.00 2.38 H new ATOM 0 HD22 LEU A 98 20.331 6.047 4.297 1.00 2.38 H new ATOM 0 HD23 LEU A 98 18.748 6.372 5.043 1.00 2.38 H new ATOM 598 N ILE A 99 20.495 6.980 9.196 1.00 1.90 N ATOM 599 CA ILE A 99 21.077 8.195 9.830 1.00 2.06 C ATOM 600 C ILE A 99 21.271 7.947 11.330 1.00 2.14 C ATOM 601 O ILE A 99 21.955 8.689 12.007 1.00 2.20 O ATOM 602 CB ILE A 99 20.116 9.365 9.638 1.00 2.05 C ATOM 603 CG1 ILE A 99 18.781 9.024 10.302 1.00 1.98 C ATOM 604 CG2 ILE A 99 19.899 9.609 8.143 1.00 2.03 C ATOM 605 CD1 ILE A 99 17.999 10.309 10.580 1.00 2.00 C ATOM 0 H ILE A 99 19.498 7.036 8.986 1.00 1.90 H new ATOM 0 HA ILE A 99 22.039 8.422 9.370 1.00 2.06 H new ATOM 0 HB ILE A 99 20.533 10.265 10.090 1.00 2.05 H new ATOM 0 HG12 ILE A 99 18.200 8.366 9.655 1.00 1.98 H new ATOM 0 HG13 ILE A 99 18.954 8.484 11.233 1.00 1.98 H new ATOM 0 HG21 ILE A 99 19.213 10.445 8.007 1.00 2.03 H new ATOM 0 HG22 ILE A 99 20.853 9.842 7.670 1.00 2.03 H new ATOM 0 HG23 ILE A 99 19.477 8.714 7.686 1.00 2.03 H new ATOM 0 HD11 ILE A 99 17.049 10.061 11.053 1.00 2.00 H new ATOM 0 HD12 ILE A 99 18.578 10.951 11.244 1.00 2.00 H new ATOM 0 HD13 ILE A 99 17.812 10.831 9.642 1.00 2.00 H new ATOM 617 N LYS A 100 20.669 6.915 11.856 1.00 2.35 N ATOM 618 CA LYS A 100 20.814 6.629 13.313 1.00 2.45 C ATOM 619 C LYS A 100 21.756 5.440 13.518 1.00 2.85 C ATOM 620 O LYS A 100 21.683 4.450 12.820 1.00 3.21 O ATOM 621 CB LYS A 100 19.441 6.301 13.902 1.00 2.30 C ATOM 622 CG LYS A 100 19.446 6.587 15.404 1.00 2.60 C ATOM 623 CD LYS A 100 18.445 5.664 16.102 1.00 2.94 C ATOM 624 CE LYS A 100 19.202 4.597 16.894 1.00 3.56 C ATOM 625 NZ LYS A 100 19.708 5.190 18.163 1.00 3.91 N ATOM 0 H LYS A 100 20.083 6.258 11.341 1.00 2.35 H new ATOM 0 HA LYS A 100 21.229 7.504 13.814 1.00 2.45 H new ATOM 0 HB2 LYS A 100 18.672 6.897 13.411 1.00 2.30 H new ATOM 0 HB3 LYS A 100 19.197 5.254 13.722 1.00 2.30 H new ATOM 0 HG2 LYS A 100 20.445 6.432 15.811 1.00 2.60 H new ATOM 0 HG3 LYS A 100 19.185 7.629 15.588 1.00 2.60 H new ATOM 0 HD2 LYS A 100 17.805 6.242 16.769 1.00 2.94 H new ATOM 0 HD3 LYS A 100 17.794 5.192 15.366 1.00 2.94 H new ATOM 0 HE2 LYS A 100 18.545 3.754 17.110 1.00 3.56 H new ATOM 0 HE3 LYS A 100 20.033 4.211 16.303 1.00 3.56 H new ATOM 0 HZ1 LYS A 100 20.223 4.466 18.703 1.00 3.91 H new ATOM 0 HZ2 LYS A 100 20.348 5.981 17.946 1.00 3.91 H new ATOM 0 HZ3 LYS A 100 18.907 5.538 18.727 1.00 3.91 H new ATOM 639 N LYS A 101 22.641 5.528 14.473 1.00 3.09 N ATOM 640 CA LYS A 101 23.584 4.398 14.718 1.00 3.63 C ATOM 641 C LYS A 101 23.854 4.280 16.218 1.00 4.10 C ATOM 642 O LYS A 101 23.371 3.331 16.815 1.00 4.56 O ATOM 643 CB LYS A 101 24.904 4.654 13.982 1.00 3.99 C ATOM 644 CG LYS A 101 24.654 5.537 12.756 1.00 4.58 C ATOM 645 CD LYS A 101 24.552 7.000 13.194 1.00 5.25 C ATOM 646 CE LYS A 101 25.707 7.797 12.585 1.00 6.09 C ATOM 647 NZ LYS A 101 26.158 8.835 13.555 1.00 6.53 N ATOM 648 OXT LYS A 101 24.539 5.140 16.747 1.00 4.44 O ATOM 0 H LYS A 101 22.752 6.330 15.093 1.00 3.09 H new ATOM 0 HA LYS A 101 23.141 3.473 14.350 1.00 3.63 H new ATOM 0 HB2 LYS A 101 25.615 5.138 14.651 1.00 3.99 H new ATOM 0 HB3 LYS A 101 25.349 3.707 13.675 1.00 3.99 H new ATOM 0 HG2 LYS A 101 25.464 5.417 12.037 1.00 4.58 H new ATOM 0 HG3 LYS A 101 23.735 5.231 12.255 1.00 4.58 H new ATOM 0 HD2 LYS A 101 23.598 7.420 12.875 1.00 5.25 H new ATOM 0 HD3 LYS A 101 24.583 7.068 14.281 1.00 5.25 H new ATOM 0 HE2 LYS A 101 26.533 7.130 12.339 1.00 6.09 H new ATOM 0 HE3 LYS A 101 25.388 8.267 11.655 1.00 6.09 H new ATOM 0 HZ1 LYS A 101 26.943 9.378 13.142 1.00 6.53 H new ATOM 0 HZ2 LYS A 101 25.368 9.477 13.769 1.00 6.53 H new ATOM 0 HZ3 LYS A 101 26.478 8.376 14.432 1.00 6.53 H new TER 662 LYS A 101 ATOM 663 N VAL B 62 -10.881 -20.077 -4.014 1.00 19.64 N ATOM 664 CA VAL B 62 -10.784 -21.268 -4.906 1.00 19.45 C ATOM 665 C VAL B 62 -9.680 -22.197 -4.398 1.00 18.79 C ATOM 666 O VAL B 62 -8.855 -22.670 -5.155 1.00 19.02 O ATOM 667 CB VAL B 62 -10.454 -20.813 -6.329 1.00 19.77 C ATOM 668 CG1 VAL B 62 -10.425 -22.027 -7.259 1.00 20.22 C ATOM 669 CG2 VAL B 62 -11.522 -19.829 -6.810 1.00 19.99 C ATOM 0 HA VAL B 62 -11.735 -21.801 -4.906 1.00 19.45 H new ATOM 0 HB VAL B 62 -9.479 -20.325 -6.337 1.00 19.77 H new ATOM 0 HG11 VAL B 62 -10.190 -21.703 -8.273 1.00 20.22 H new ATOM 0 HG12 VAL B 62 -9.665 -22.729 -6.917 1.00 20.22 H new ATOM 0 HG13 VAL B 62 -11.400 -22.515 -7.251 1.00 20.22 H new ATOM 0 HG21 VAL B 62 -11.288 -19.504 -7.824 1.00 19.99 H new ATOM 0 HG22 VAL B 62 -12.497 -20.317 -6.802 1.00 19.99 H new ATOM 0 HG23 VAL B 62 -11.544 -18.963 -6.148 1.00 19.99 H new ATOM 681 N GLN B 63 -9.658 -22.464 -3.120 1.00 18.10 N ATOM 682 CA GLN B 63 -8.608 -23.364 -2.563 1.00 17.56 C ATOM 683 C GLN B 63 -8.768 -23.451 -1.044 1.00 16.86 C ATOM 684 O GLN B 63 -9.473 -22.666 -0.439 1.00 16.59 O ATOM 685 CB GLN B 63 -7.225 -22.803 -2.899 1.00 17.30 C ATOM 686 CG GLN B 63 -7.255 -21.278 -2.796 1.00 17.01 C ATOM 687 CD GLN B 63 -6.052 -20.796 -1.983 1.00 16.75 C ATOM 688 OE1 GLN B 63 -6.089 -20.787 -0.769 1.00 17.03 O ATOM 689 NE2 GLN B 63 -4.978 -20.393 -2.607 1.00 16.36 N ATOM 0 H GLN B 63 -10.322 -22.098 -2.438 1.00 18.10 H new ATOM 0 HA GLN B 63 -8.712 -24.358 -2.998 1.00 17.56 H new ATOM 0 HB2 GLN B 63 -6.480 -23.210 -2.215 1.00 17.30 H new ATOM 0 HB3 GLN B 63 -6.933 -23.105 -3.905 1.00 17.30 H new ATOM 0 HG2 GLN B 63 -7.235 -20.835 -3.792 1.00 17.01 H new ATOM 0 HG3 GLN B 63 -8.181 -20.953 -2.322 1.00 17.01 H new ATOM 0 HE21 GLN B 63 -4.947 -20.401 -3.627 1.00 16.36 H new ATOM 0 HE22 GLN B 63 -4.170 -20.071 -2.075 1.00 16.36 H new ATOM 698 N LEU B 64 -8.120 -24.397 -0.420 1.00 16.69 N ATOM 699 CA LEU B 64 -8.238 -24.531 1.060 1.00 16.15 C ATOM 700 C LEU B 64 -6.893 -24.215 1.715 1.00 15.61 C ATOM 701 O LEU B 64 -6.689 -24.467 2.886 1.00 15.57 O ATOM 702 CB LEU B 64 -8.641 -25.965 1.411 1.00 16.73 C ATOM 703 CG LEU B 64 -10.029 -26.263 0.840 1.00 16.88 C ATOM 704 CD1 LEU B 64 -9.887 -27.018 -0.483 1.00 17.47 C ATOM 705 CD2 LEU B 64 -10.813 -27.122 1.834 1.00 17.27 C ATOM 0 H LEU B 64 -7.514 -25.083 -0.871 1.00 16.69 H new ATOM 0 HA LEU B 64 -8.994 -23.835 1.424 1.00 16.15 H new ATOM 0 HB2 LEU B 64 -7.912 -26.667 1.007 1.00 16.73 H new ATOM 0 HB3 LEU B 64 -8.646 -26.098 2.493 1.00 16.73 H new ATOM 0 HG LEU B 64 -10.560 -25.327 0.668 1.00 16.88 H new ATOM 0 HD11 LEU B 64 -10.876 -27.230 -0.889 1.00 17.47 H new ATOM 0 HD12 LEU B 64 -9.327 -26.408 -1.192 1.00 17.47 H new ATOM 0 HD13 LEU B 64 -9.357 -27.955 -0.312 1.00 17.47 H new ATOM 0 HD21 LEU B 64 -11.802 -27.336 1.429 1.00 17.27 H new ATOM 0 HD22 LEU B 64 -10.281 -28.058 2.005 1.00 17.27 H new ATOM 0 HD23 LEU B 64 -10.915 -26.585 2.777 1.00 17.27 H new ATOM 717 N ALA B 65 -5.971 -23.670 0.972 1.00 15.34 N ATOM 718 CA ALA B 65 -4.641 -23.348 1.560 1.00 14.99 C ATOM 719 C ALA B 65 -4.723 -22.033 2.339 1.00 14.10 C ATOM 720 O ALA B 65 -3.787 -21.635 3.002 1.00 13.96 O ATOM 721 CB ALA B 65 -3.607 -23.215 0.440 1.00 15.58 C ATOM 0 H ALA B 65 -6.080 -23.434 -0.014 1.00 15.34 H new ATOM 0 HA ALA B 65 -4.344 -24.148 2.238 1.00 14.99 H new ATOM 0 HB1 ALA B 65 -2.633 -22.979 0.870 1.00 15.58 H new ATOM 0 HB2 ALA B 65 -3.543 -24.154 -0.110 1.00 15.58 H new ATOM 0 HB3 ALA B 65 -3.907 -22.417 -0.239 1.00 15.58 H new ATOM 727 N HIS B 66 -5.836 -21.355 2.266 1.00 13.65 N ATOM 728 CA HIS B 66 -5.972 -20.067 3.005 1.00 12.91 C ATOM 729 C HIS B 66 -5.413 -20.229 4.420 1.00 12.30 C ATOM 730 O HIS B 66 -5.161 -21.326 4.877 1.00 12.38 O ATOM 731 CB HIS B 66 -7.449 -19.675 3.082 1.00 12.96 C ATOM 732 CG HIS B 66 -7.996 -19.504 1.691 1.00 13.34 C ATOM 733 ND1 HIS B 66 -7.454 -18.601 0.790 1.00 13.54 N ATOM 734 CD2 HIS B 66 -9.035 -20.113 1.034 1.00 13.74 C ATOM 735 CE1 HIS B 66 -8.164 -18.692 -0.350 1.00 14.03 C ATOM 736 NE2 HIS B 66 -9.140 -19.598 -0.256 1.00 14.18 N ATOM 0 H HIS B 66 -6.656 -21.636 1.728 1.00 13.65 H new ATOM 0 HA HIS B 66 -5.417 -19.288 2.482 1.00 12.91 H new ATOM 0 HB2 HIS B 66 -8.012 -20.442 3.614 1.00 12.96 H new ATOM 0 HB3 HIS B 66 -7.561 -18.748 3.645 1.00 12.96 H new ATOM 0 HD2 HIS B 66 -9.674 -20.876 1.453 1.00 13.74 H new ATOM 0 HE1 HIS B 66 -7.968 -18.103 -1.234 1.00 14.03 H new ATOM 0 HE2 HIS B 66 -9.817 -19.857 -0.974 1.00 14.18 H new ATOM 744 N HIS B 67 -5.214 -19.144 5.118 1.00 11.87 N ATOM 745 CA HIS B 67 -4.671 -19.237 6.503 1.00 11.46 C ATOM 746 C HIS B 67 -5.799 -19.593 7.472 1.00 10.55 C ATOM 747 O HIS B 67 -5.915 -20.717 7.920 1.00 10.53 O ATOM 748 CB HIS B 67 -4.061 -17.892 6.902 1.00 11.84 C ATOM 749 CG HIS B 67 -2.565 -17.958 6.756 1.00 12.35 C ATOM 750 ND1 HIS B 67 -1.750 -18.491 7.743 1.00 12.68 N ATOM 751 CD2 HIS B 67 -1.723 -17.565 5.746 1.00 12.80 C ATOM 752 CE1 HIS B 67 -0.480 -18.404 7.308 1.00 13.29 C ATOM 753 NE2 HIS B 67 -0.406 -17.848 6.096 1.00 13.39 N ATOM 0 H HIS B 67 -5.404 -18.197 4.789 1.00 11.87 H new ATOM 0 HA HIS B 67 -3.904 -20.010 6.541 1.00 11.46 H new ATOM 0 HB2 HIS B 67 -4.464 -17.097 6.274 1.00 11.84 H new ATOM 0 HB3 HIS B 67 -4.327 -17.651 7.931 1.00 11.84 H new ATOM 0 HD2 HIS B 67 -2.035 -17.106 4.820 1.00 12.80 H new ATOM 0 HE1 HIS B 67 0.377 -18.743 7.871 1.00 13.29 H new ATOM 0 HE2 HIS B 67 0.434 -17.669 5.546 1.00 13.39 H new ATOM 761 N PHE B 68 -6.634 -18.645 7.801 1.00 10.00 N ATOM 762 CA PHE B 68 -7.754 -18.932 8.741 1.00 9.29 C ATOM 763 C PHE B 68 -8.965 -19.433 7.953 1.00 8.27 C ATOM 764 O PHE B 68 -8.840 -19.913 6.844 1.00 8.29 O ATOM 765 CB PHE B 68 -8.132 -17.653 9.490 1.00 9.52 C ATOM 766 CG PHE B 68 -6.885 -16.863 9.805 1.00 10.43 C ATOM 767 CD1 PHE B 68 -5.939 -17.375 10.700 1.00 11.07 C ATOM 768 CD2 PHE B 68 -6.673 -15.618 9.200 1.00 10.86 C ATOM 769 CE1 PHE B 68 -4.783 -16.641 10.993 1.00 12.06 C ATOM 770 CE2 PHE B 68 -5.517 -14.884 9.491 1.00 11.86 C ATOM 771 CZ PHE B 68 -4.571 -15.397 10.388 1.00 12.43 C ATOM 0 H PHE B 68 -6.589 -17.685 7.460 1.00 10.00 H new ATOM 0 HA PHE B 68 -7.442 -19.694 9.455 1.00 9.29 H new ATOM 0 HB2 PHE B 68 -8.812 -17.053 8.885 1.00 9.52 H new ATOM 0 HB3 PHE B 68 -8.660 -17.901 10.411 1.00 9.52 H new ATOM 0 HD1 PHE B 68 -6.100 -18.336 11.165 1.00 11.07 H new ATOM 0 HD2 PHE B 68 -7.402 -15.224 8.508 1.00 10.86 H new ATOM 0 HE1 PHE B 68 -4.055 -17.035 11.686 1.00 12.06 H new ATOM 0 HE2 PHE B 68 -5.355 -13.924 9.025 1.00 11.86 H new ATOM 0 HZ PHE B 68 -3.678 -14.832 10.613 1.00 12.43 H new ATOM 781 N SER B 69 -10.137 -19.325 8.516 1.00 7.61 N ATOM 782 CA SER B 69 -11.355 -19.794 7.797 1.00 6.80 C ATOM 783 C SER B 69 -12.266 -18.599 7.508 1.00 5.60 C ATOM 784 O SER B 69 -13.475 -18.708 7.530 1.00 5.39 O ATOM 785 CB SER B 69 -12.102 -20.805 8.668 1.00 7.36 C ATOM 786 OG SER B 69 -12.121 -20.343 10.011 1.00 8.12 O ATOM 0 H SER B 69 -10.304 -18.932 9.443 1.00 7.61 H new ATOM 0 HA SER B 69 -11.065 -20.267 6.858 1.00 6.80 H new ATOM 0 HB2 SER B 69 -13.120 -20.936 8.302 1.00 7.36 H new ATOM 0 HB3 SER B 69 -11.616 -21.779 8.613 1.00 7.36 H new ATOM 0 HG SER B 69 -12.601 -20.988 10.572 1.00 8.12 H new ATOM 792 N GLU B 70 -11.692 -17.458 7.238 1.00 5.12 N ATOM 793 CA GLU B 70 -12.524 -16.256 6.948 1.00 4.22 C ATOM 794 C GLU B 70 -12.024 -15.589 5.660 1.00 3.04 C ATOM 795 O GLU B 70 -11.042 -14.876 5.679 1.00 3.18 O ATOM 796 CB GLU B 70 -12.405 -15.266 8.108 1.00 4.88 C ATOM 797 CG GLU B 70 -13.403 -15.644 9.204 1.00 5.77 C ATOM 798 CD GLU B 70 -13.829 -14.386 9.964 1.00 6.71 C ATOM 799 OE1 GLU B 70 -13.139 -13.388 9.850 1.00 7.29 O ATOM 800 OE2 GLU B 70 -14.839 -14.445 10.645 1.00 7.09 O ATOM 0 H GLU B 70 -10.684 -17.307 7.206 1.00 5.12 H new ATOM 0 HA GLU B 70 -13.565 -16.554 6.825 1.00 4.22 H new ATOM 0 HB2 GLU B 70 -11.390 -15.276 8.506 1.00 4.88 H new ATOM 0 HB3 GLU B 70 -12.600 -14.253 7.757 1.00 4.88 H new ATOM 0 HG2 GLU B 70 -14.275 -16.129 8.765 1.00 5.77 H new ATOM 0 HG3 GLU B 70 -12.951 -16.361 9.890 1.00 5.77 H new ATOM 807 N PRO B 71 -12.717 -15.840 4.576 1.00 2.28 N ATOM 808 CA PRO B 71 -12.354 -15.269 3.268 1.00 1.48 C ATOM 809 C PRO B 71 -12.365 -13.740 3.340 1.00 1.33 C ATOM 810 O PRO B 71 -11.668 -13.068 2.606 1.00 1.29 O ATOM 811 CB PRO B 71 -13.435 -15.777 2.302 1.00 2.00 C ATOM 812 CG PRO B 71 -14.400 -16.683 3.110 1.00 2.71 C ATOM 813 CD PRO B 71 -13.910 -16.706 4.566 1.00 2.87 C ATOM 0 HA PRO B 71 -11.354 -15.562 2.948 1.00 1.48 H new ATOM 0 HB2 PRO B 71 -13.976 -14.941 1.859 1.00 2.00 H new ATOM 0 HB3 PRO B 71 -12.983 -16.335 1.482 1.00 2.00 H new ATOM 0 HG2 PRO B 71 -15.419 -16.301 3.056 1.00 2.71 H new ATOM 0 HG3 PRO B 71 -14.415 -17.691 2.696 1.00 2.71 H new ATOM 0 HD2 PRO B 71 -14.675 -16.333 5.247 1.00 2.87 H new ATOM 0 HD3 PRO B 71 -13.666 -17.719 4.885 1.00 2.87 H new ATOM 821 N GLU B 72 -13.152 -13.183 4.220 1.00 1.30 N ATOM 822 CA GLU B 72 -13.199 -11.696 4.333 1.00 1.19 C ATOM 823 C GLU B 72 -11.820 -11.170 4.748 1.00 1.06 C ATOM 824 O GLU B 72 -11.199 -10.409 4.033 1.00 1.01 O ATOM 825 CB GLU B 72 -14.250 -11.270 5.369 1.00 1.29 C ATOM 826 CG GLU B 72 -14.376 -12.328 6.470 1.00 1.90 C ATOM 827 CD GLU B 72 -14.512 -11.639 7.829 1.00 2.25 C ATOM 828 OE1 GLU B 72 -14.210 -10.460 7.906 1.00 2.52 O ATOM 829 OE2 GLU B 72 -14.917 -12.302 8.768 1.00 2.89 O ATOM 0 H GLU B 72 -13.761 -13.689 4.862 1.00 1.30 H new ATOM 0 HA GLU B 72 -13.474 -11.277 3.365 1.00 1.19 H new ATOM 0 HB2 GLU B 72 -13.970 -10.312 5.807 1.00 1.29 H new ATOM 0 HB3 GLU B 72 -15.214 -11.128 4.881 1.00 1.29 H new ATOM 0 HG2 GLU B 72 -15.244 -12.961 6.283 1.00 1.90 H new ATOM 0 HG3 GLU B 72 -13.501 -12.978 6.466 1.00 1.90 H new ATOM 836 N ILE B 73 -11.333 -11.567 5.893 1.00 1.07 N ATOM 837 CA ILE B 73 -10.002 -11.089 6.340 1.00 0.98 C ATOM 838 C ILE B 73 -8.933 -11.530 5.338 1.00 0.89 C ATOM 839 O ILE B 73 -7.902 -10.902 5.199 1.00 0.82 O ATOM 840 CB ILE B 73 -9.696 -11.679 7.718 1.00 1.09 C ATOM 841 CG1 ILE B 73 -8.546 -10.904 8.347 1.00 1.29 C ATOM 842 CG2 ILE B 73 -9.304 -13.153 7.580 1.00 1.27 C ATOM 843 CD1 ILE B 73 -9.107 -9.726 9.142 1.00 2.11 C ATOM 0 H ILE B 73 -11.804 -12.203 6.536 1.00 1.07 H new ATOM 0 HA ILE B 73 -10.003 -10.001 6.401 1.00 0.98 H new ATOM 0 HB ILE B 73 -10.582 -11.605 8.349 1.00 1.09 H new ATOM 0 HG12 ILE B 73 -7.967 -11.556 9.001 1.00 1.29 H new ATOM 0 HG13 ILE B 73 -7.868 -10.545 7.573 1.00 1.29 H new ATOM 0 HG21 ILE B 73 -9.088 -13.566 8.565 1.00 1.27 H new ATOM 0 HG22 ILE B 73 -10.126 -13.707 7.127 1.00 1.27 H new ATOM 0 HG23 ILE B 73 -8.419 -13.237 6.949 1.00 1.27 H new ATOM 0 HD11 ILE B 73 -8.287 -9.168 9.594 1.00 2.11 H new ATOM 0 HD12 ILE B 73 -9.667 -9.071 8.475 1.00 2.11 H new ATOM 0 HD13 ILE B 73 -9.768 -10.097 9.925 1.00 2.11 H new ATOM 855 N THR B 74 -9.171 -12.607 4.639 1.00 0.92 N ATOM 856 CA THR B 74 -8.166 -13.085 3.648 1.00 0.87 C ATOM 857 C THR B 74 -8.082 -12.093 2.487 1.00 0.77 C ATOM 858 O THR B 74 -7.010 -11.706 2.068 1.00 0.69 O ATOM 859 CB THR B 74 -8.580 -14.461 3.118 1.00 0.99 C ATOM 860 OG1 THR B 74 -9.738 -14.327 2.308 1.00 1.57 O ATOM 861 CG2 THR B 74 -8.879 -15.395 4.291 1.00 1.43 C ATOM 0 H THR B 74 -10.015 -13.175 4.711 1.00 0.92 H new ATOM 0 HA THR B 74 -7.191 -13.163 4.130 1.00 0.87 H new ATOM 0 HB THR B 74 -7.768 -14.880 2.523 1.00 0.99 H new ATOM 0 HG1 THR B 74 -10.245 -13.537 2.590 1.00 1.57 H new ATOM 0 HG21 THR B 74 -9.173 -16.373 3.911 1.00 1.43 H new ATOM 0 HG22 THR B 74 -7.988 -15.499 4.910 1.00 1.43 H new ATOM 0 HG23 THR B 74 -9.690 -14.979 4.890 1.00 1.43 H new ATOM 869 N LEU B 75 -9.203 -11.675 1.963 1.00 0.81 N ATOM 870 CA LEU B 75 -9.172 -10.706 0.829 1.00 0.74 C ATOM 871 C LEU B 75 -8.702 -9.347 1.337 1.00 0.62 C ATOM 872 O LEU B 75 -7.845 -8.720 0.746 1.00 0.52 O ATOM 873 CB LEU B 75 -10.568 -10.566 0.215 1.00 0.87 C ATOM 874 CG LEU B 75 -10.444 -10.258 -1.281 1.00 1.11 C ATOM 875 CD1 LEU B 75 -11.787 -9.752 -1.810 1.00 1.02 C ATOM 876 CD2 LEU B 75 -9.377 -9.181 -1.500 1.00 1.63 C ATOM 0 H LEU B 75 -10.133 -11.960 2.269 1.00 0.81 H new ATOM 0 HA LEU B 75 -8.485 -11.073 0.067 1.00 0.74 H new ATOM 0 HB2 LEU B 75 -11.134 -11.486 0.361 1.00 0.87 H new ATOM 0 HB3 LEU B 75 -11.118 -9.770 0.716 1.00 0.87 H new ATOM 0 HG LEU B 75 -10.158 -11.166 -1.812 1.00 1.11 H new ATOM 0 HD11 LEU B 75 -11.700 -9.533 -2.874 1.00 1.02 H new ATOM 0 HD12 LEU B 75 -12.549 -10.516 -1.658 1.00 1.02 H new ATOM 0 HD13 LEU B 75 -12.071 -8.846 -1.275 1.00 1.02 H new ATOM 0 HD21 LEU B 75 -9.292 -8.965 -2.565 1.00 1.63 H new ATOM 0 HD22 LEU B 75 -9.661 -8.274 -0.967 1.00 1.63 H new ATOM 0 HD23 LEU B 75 -8.418 -9.537 -1.124 1.00 1.63 H new ATOM 888 N ILE B 76 -9.243 -8.880 2.428 1.00 0.66 N ATOM 889 CA ILE B 76 -8.799 -7.561 2.949 1.00 0.59 C ATOM 890 C ILE B 76 -7.289 -7.620 3.176 1.00 0.48 C ATOM 891 O ILE B 76 -6.553 -6.751 2.753 1.00 0.39 O ATOM 892 CB ILE B 76 -9.508 -7.269 4.271 1.00 0.70 C ATOM 893 CG1 ILE B 76 -11.023 -7.328 4.060 1.00 0.89 C ATOM 894 CG2 ILE B 76 -9.117 -5.876 4.765 1.00 0.73 C ATOM 895 CD1 ILE B 76 -11.723 -7.410 5.417 1.00 1.02 C ATOM 0 H ILE B 76 -9.965 -9.350 2.975 1.00 0.66 H new ATOM 0 HA ILE B 76 -9.041 -6.772 2.237 1.00 0.59 H new ATOM 0 HB ILE B 76 -9.214 -8.012 5.012 1.00 0.70 H new ATOM 0 HG12 ILE B 76 -11.360 -6.445 3.518 1.00 0.89 H new ATOM 0 HG13 ILE B 76 -11.283 -8.194 3.452 1.00 0.89 H new ATOM 0 HG21 ILE B 76 -9.623 -5.669 5.708 1.00 0.73 H new ATOM 0 HG22 ILE B 76 -8.038 -5.833 4.915 1.00 0.73 H new ATOM 0 HG23 ILE B 76 -9.410 -5.132 4.025 1.00 0.73 H new ATOM 0 HD11 ILE B 76 -12.802 -7.452 5.268 1.00 1.02 H new ATOM 0 HD12 ILE B 76 -11.394 -8.307 5.942 1.00 1.02 H new ATOM 0 HD13 ILE B 76 -11.473 -6.530 6.009 1.00 1.02 H new ATOM 907 N ILE B 77 -6.819 -8.656 3.816 1.00 0.51 N ATOM 908 CA ILE B 77 -5.354 -8.788 4.037 1.00 0.45 C ATOM 909 C ILE B 77 -4.652 -8.767 2.678 1.00 0.35 C ATOM 910 O ILE B 77 -3.675 -8.073 2.478 1.00 0.30 O ATOM 911 CB ILE B 77 -5.060 -10.109 4.758 1.00 0.52 C ATOM 912 CG1 ILE B 77 -5.390 -9.958 6.245 1.00 1.19 C ATOM 913 CG2 ILE B 77 -3.579 -10.467 4.604 1.00 1.41 C ATOM 914 CD1 ILE B 77 -4.347 -9.059 6.911 1.00 1.86 C ATOM 0 H ILE B 77 -7.386 -9.415 4.194 1.00 0.51 H new ATOM 0 HA ILE B 77 -4.991 -7.964 4.652 1.00 0.45 H new ATOM 0 HB ILE B 77 -5.670 -10.900 4.322 1.00 0.52 H new ATOM 0 HG12 ILE B 77 -6.385 -9.530 6.366 1.00 1.19 H new ATOM 0 HG13 ILE B 77 -5.403 -10.936 6.726 1.00 1.19 H new ATOM 0 HG21 ILE B 77 -3.376 -11.406 5.118 1.00 1.41 H new ATOM 0 HG22 ILE B 77 -3.338 -10.573 3.546 1.00 1.41 H new ATOM 0 HG23 ILE B 77 -2.967 -9.676 5.038 1.00 1.41 H new ATOM 0 HD11 ILE B 77 -4.582 -8.952 7.970 1.00 1.86 H new ATOM 0 HD12 ILE B 77 -3.359 -9.506 6.802 1.00 1.86 H new ATOM 0 HD13 ILE B 77 -4.356 -8.078 6.436 1.00 1.86 H new ATOM 926 N PHE B 78 -5.151 -9.532 1.743 1.00 0.37 N ATOM 927 CA PHE B 78 -4.524 -9.572 0.391 1.00 0.34 C ATOM 928 C PHE B 78 -4.490 -8.164 -0.198 1.00 0.29 C ATOM 929 O PHE B 78 -3.481 -7.722 -0.706 1.00 0.27 O ATOM 930 CB PHE B 78 -5.333 -10.491 -0.527 1.00 0.44 C ATOM 931 CG PHE B 78 -4.942 -11.926 -0.266 1.00 1.05 C ATOM 932 CD1 PHE B 78 -3.598 -12.308 -0.342 1.00 1.80 C ATOM 933 CD2 PHE B 78 -5.923 -12.873 0.053 1.00 1.97 C ATOM 934 CE1 PHE B 78 -3.233 -13.639 -0.100 1.00 2.57 C ATOM 935 CE2 PHE B 78 -5.558 -14.203 0.296 1.00 2.71 C ATOM 936 CZ PHE B 78 -4.214 -14.585 0.219 1.00 2.81 C ATOM 0 H PHE B 78 -5.968 -10.132 1.859 1.00 0.37 H new ATOM 0 HA PHE B 78 -3.507 -9.954 0.478 1.00 0.34 H new ATOM 0 HB2 PHE B 78 -6.400 -10.354 -0.349 1.00 0.44 H new ATOM 0 HB3 PHE B 78 -5.149 -10.236 -1.571 1.00 0.44 H new ATOM 0 HD1 PHE B 78 -2.842 -11.577 -0.587 1.00 1.80 H new ATOM 0 HD2 PHE B 78 -6.960 -12.578 0.112 1.00 1.97 H new ATOM 0 HE1 PHE B 78 -2.196 -13.935 -0.160 1.00 2.57 H new ATOM 0 HE2 PHE B 78 -6.314 -14.934 0.543 1.00 2.71 H new ATOM 0 HZ PHE B 78 -3.933 -15.611 0.406 1.00 2.81 H new ATOM 946 N GLY B 79 -5.581 -7.448 -0.134 1.00 0.30 N ATOM 947 CA GLY B 79 -5.583 -6.068 -0.696 1.00 0.28 C ATOM 948 C GLY B 79 -4.478 -5.260 -0.018 1.00 0.22 C ATOM 949 O GLY B 79 -3.692 -4.598 -0.666 1.00 0.23 O ATOM 0 H GLY B 79 -6.462 -7.756 0.279 1.00 0.30 H new ATOM 0 HA2 GLY B 79 -5.421 -6.099 -1.774 1.00 0.28 H new ATOM 0 HA3 GLY B 79 -6.551 -5.595 -0.532 1.00 0.28 H new ATOM 953 N VAL B 80 -4.397 -5.323 1.284 1.00 0.22 N ATOM 954 CA VAL B 80 -3.326 -4.573 1.994 1.00 0.23 C ATOM 955 C VAL B 80 -1.969 -5.024 1.451 1.00 0.22 C ATOM 956 O VAL B 80 -1.120 -4.221 1.110 1.00 0.23 O ATOM 957 CB VAL B 80 -3.413 -4.867 3.492 1.00 0.27 C ATOM 958 CG1 VAL B 80 -2.396 -4.007 4.244 1.00 0.33 C ATOM 959 CG2 VAL B 80 -4.825 -4.539 3.987 1.00 0.30 C ATOM 0 H VAL B 80 -5.024 -5.860 1.883 1.00 0.22 H new ATOM 0 HA VAL B 80 -3.445 -3.501 1.835 1.00 0.23 H new ATOM 0 HB VAL B 80 -3.196 -5.920 3.671 1.00 0.27 H new ATOM 0 HG11 VAL B 80 -2.460 -4.218 5.311 1.00 0.33 H new ATOM 0 HG12 VAL B 80 -1.392 -4.236 3.888 1.00 0.33 H new ATOM 0 HG13 VAL B 80 -2.611 -2.953 4.069 1.00 0.33 H new ATOM 0 HG21 VAL B 80 -4.894 -4.747 5.055 1.00 0.30 H new ATOM 0 HG22 VAL B 80 -5.038 -3.485 3.808 1.00 0.30 H new ATOM 0 HG23 VAL B 80 -5.550 -5.152 3.451 1.00 0.30 H new ATOM 969 N MET B 81 -1.769 -6.310 1.347 1.00 0.22 N ATOM 970 CA MET B 81 -0.484 -6.829 0.805 1.00 0.23 C ATOM 971 C MET B 81 -0.264 -6.261 -0.597 1.00 0.24 C ATOM 972 O MET B 81 0.805 -5.791 -0.931 1.00 0.25 O ATOM 973 CB MET B 81 -0.540 -8.357 0.734 1.00 0.26 C ATOM 974 CG MET B 81 -0.510 -8.935 2.149 1.00 0.32 C ATOM 975 SD MET B 81 1.051 -8.490 2.950 1.00 1.15 S ATOM 976 CE MET B 81 1.067 -9.821 4.177 1.00 1.83 C ATOM 0 H MET B 81 -2.445 -7.025 1.616 1.00 0.22 H new ATOM 0 HA MET B 81 0.337 -6.527 1.456 1.00 0.23 H new ATOM 0 HB2 MET B 81 -1.447 -8.675 0.219 1.00 0.26 H new ATOM 0 HB3 MET B 81 0.304 -8.736 0.157 1.00 0.26 H new ATOM 0 HG2 MET B 81 -1.350 -8.552 2.728 1.00 0.32 H new ATOM 0 HG3 MET B 81 -0.616 -10.019 2.113 1.00 0.32 H new ATOM 0 HE1 MET B 81 1.962 -9.737 4.793 1.00 1.83 H new ATOM 0 HE2 MET B 81 0.183 -9.743 4.810 1.00 1.83 H new ATOM 0 HE3 MET B 81 1.066 -10.785 3.668 1.00 1.83 H new ATOM 986 N ALA B 82 -1.275 -6.311 -1.424 1.00 0.25 N ATOM 987 CA ALA B 82 -1.138 -5.787 -2.809 1.00 0.27 C ATOM 988 C ALA B 82 -0.706 -4.317 -2.768 1.00 0.26 C ATOM 989 O ALA B 82 0.199 -3.918 -3.475 1.00 0.27 O ATOM 990 CB ALA B 82 -2.468 -5.935 -3.561 1.00 0.31 C ATOM 0 H ALA B 82 -2.192 -6.694 -1.196 1.00 0.25 H new ATOM 0 HA ALA B 82 -0.376 -6.361 -3.336 1.00 0.27 H new ATOM 0 HB1 ALA B 82 -2.358 -5.549 -4.574 1.00 0.31 H new ATOM 0 HB2 ALA B 82 -2.747 -6.988 -3.602 1.00 0.31 H new ATOM 0 HB3 ALA B 82 -3.244 -5.374 -3.041 1.00 0.31 H new ATOM 996 N GLY B 83 -1.328 -3.500 -1.953 1.00 0.25 N ATOM 997 CA GLY B 83 -0.908 -2.073 -1.905 1.00 0.26 C ATOM 998 C GLY B 83 0.576 -2.014 -1.559 1.00 0.24 C ATOM 999 O GLY B 83 1.348 -1.328 -2.199 1.00 0.24 O ATOM 0 H GLY B 83 -2.094 -3.757 -1.331 1.00 0.25 H new ATOM 0 HA2 GLY B 83 -1.092 -1.592 -2.866 1.00 0.26 H new ATOM 0 HA3 GLY B 83 -1.492 -1.532 -1.161 1.00 0.26 H new ATOM 1003 N VAL B 84 0.987 -2.745 -0.557 1.00 0.22 N ATOM 1004 CA VAL B 84 2.429 -2.741 -0.185 1.00 0.21 C ATOM 1005 C VAL B 84 3.263 -3.171 -1.396 1.00 0.21 C ATOM 1006 O VAL B 84 4.250 -2.548 -1.735 1.00 0.21 O ATOM 1007 CB VAL B 84 2.662 -3.718 0.970 1.00 0.23 C ATOM 1008 CG1 VAL B 84 4.164 -3.951 1.148 1.00 0.28 C ATOM 1009 CG2 VAL B 84 2.082 -3.130 2.258 1.00 0.31 C ATOM 0 H VAL B 84 0.390 -3.341 0.016 1.00 0.22 H new ATOM 0 HA VAL B 84 2.724 -1.739 0.126 1.00 0.21 H new ATOM 0 HB VAL B 84 2.172 -4.666 0.748 1.00 0.23 H new ATOM 0 HG11 VAL B 84 4.329 -4.647 1.971 1.00 0.28 H new ATOM 0 HG12 VAL B 84 4.579 -4.369 0.231 1.00 0.28 H new ATOM 0 HG13 VAL B 84 4.655 -3.004 1.370 1.00 0.28 H new ATOM 0 HG21 VAL B 84 2.247 -3.825 3.082 1.00 0.31 H new ATOM 0 HG22 VAL B 84 2.573 -2.182 2.479 1.00 0.31 H new ATOM 0 HG23 VAL B 84 1.012 -2.964 2.133 1.00 0.31 H new ATOM 1019 N ILE B 85 2.873 -4.234 -2.052 1.00 0.23 N ATOM 1020 CA ILE B 85 3.642 -4.704 -3.239 1.00 0.25 C ATOM 1021 C ILE B 85 3.728 -3.585 -4.281 1.00 0.26 C ATOM 1022 O ILE B 85 4.785 -3.303 -4.809 1.00 0.26 O ATOM 1023 CB ILE B 85 2.941 -5.918 -3.852 1.00 0.30 C ATOM 1024 CG1 ILE B 85 2.902 -7.054 -2.827 1.00 0.32 C ATOM 1025 CG2 ILE B 85 3.708 -6.378 -5.092 1.00 0.40 C ATOM 1026 CD1 ILE B 85 1.736 -7.991 -3.146 1.00 1.06 C ATOM 0 H ILE B 85 2.055 -4.796 -1.815 1.00 0.23 H new ATOM 0 HA ILE B 85 4.649 -4.981 -2.927 1.00 0.25 H new ATOM 0 HB ILE B 85 1.924 -5.646 -4.134 1.00 0.30 H new ATOM 0 HG12 ILE B 85 3.841 -7.606 -2.845 1.00 0.32 H new ATOM 0 HG13 ILE B 85 2.791 -6.647 -1.822 1.00 0.32 H new ATOM 0 HG21 ILE B 85 3.209 -7.243 -5.529 1.00 0.40 H new ATOM 0 HG22 ILE B 85 3.738 -5.569 -5.822 1.00 0.40 H new ATOM 0 HG23 ILE B 85 4.725 -6.650 -4.810 1.00 0.40 H new ATOM 0 HD11 ILE B 85 1.709 -8.800 -2.416 1.00 1.06 H new ATOM 0 HD12 ILE B 85 0.800 -7.434 -3.106 1.00 1.06 H new ATOM 0 HD13 ILE B 85 1.867 -8.408 -4.144 1.00 1.06 H new ATOM 1038 N GLY B 86 2.629 -2.945 -4.583 1.00 0.27 N ATOM 1039 CA GLY B 86 2.669 -1.849 -5.591 1.00 0.30 C ATOM 1040 C GLY B 86 3.677 -0.792 -5.145 1.00 0.27 C ATOM 1041 O GLY B 86 4.511 -0.352 -5.911 1.00 0.29 O ATOM 0 H GLY B 86 1.712 -3.133 -4.178 1.00 0.27 H new ATOM 0 HA2 GLY B 86 2.949 -2.246 -6.567 1.00 0.30 H new ATOM 0 HA3 GLY B 86 1.680 -1.403 -5.700 1.00 0.30 H new ATOM 1045 N THR B 87 3.615 -0.390 -3.905 1.00 0.24 N ATOM 1046 CA THR B 87 4.579 0.630 -3.408 1.00 0.24 C ATOM 1047 C THR B 87 6.004 0.116 -3.621 1.00 0.24 C ATOM 1048 O THR B 87 6.863 0.819 -4.114 1.00 0.28 O ATOM 1049 CB THR B 87 4.340 0.873 -1.916 1.00 0.25 C ATOM 1050 OG1 THR B 87 2.990 1.270 -1.714 1.00 0.32 O ATOM 1051 CG2 THR B 87 5.278 1.974 -1.420 1.00 0.28 C ATOM 0 H THR B 87 2.940 -0.723 -3.217 1.00 0.24 H new ATOM 0 HA THR B 87 4.440 1.564 -3.952 1.00 0.24 H new ATOM 0 HB THR B 87 4.536 -0.044 -1.361 1.00 0.25 H new ATOM 0 HG1 THR B 87 2.406 0.485 -1.772 1.00 0.32 H new ATOM 0 HG21 THR B 87 5.107 2.146 -0.357 1.00 0.28 H new ATOM 0 HG22 THR B 87 6.313 1.668 -1.576 1.00 0.28 H new ATOM 0 HG23 THR B 87 5.084 2.893 -1.972 1.00 0.28 H new ATOM 1059 N ILE B 88 6.256 -1.110 -3.251 1.00 0.23 N ATOM 1060 CA ILE B 88 7.621 -1.679 -3.430 1.00 0.29 C ATOM 1061 C ILE B 88 8.025 -1.596 -4.903 1.00 0.33 C ATOM 1062 O ILE B 88 9.119 -1.183 -5.234 1.00 0.40 O ATOM 1063 CB ILE B 88 7.627 -3.142 -2.985 1.00 0.33 C ATOM 1064 CG1 ILE B 88 7.405 -3.216 -1.472 1.00 0.34 C ATOM 1065 CG2 ILE B 88 8.975 -3.776 -3.333 1.00 0.40 C ATOM 1066 CD1 ILE B 88 7.433 -4.679 -1.024 1.00 0.41 C ATOM 0 H ILE B 88 5.574 -1.743 -2.832 1.00 0.23 H new ATOM 0 HA ILE B 88 8.329 -1.110 -2.827 1.00 0.29 H new ATOM 0 HB ILE B 88 6.829 -3.680 -3.497 1.00 0.33 H new ATOM 0 HG12 ILE B 88 8.178 -2.650 -0.952 1.00 0.34 H new ATOM 0 HG13 ILE B 88 6.449 -2.763 -1.211 1.00 0.34 H new ATOM 0 HG21 ILE B 88 8.979 -4.819 -3.016 1.00 0.40 H new ATOM 0 HG22 ILE B 88 9.134 -3.724 -4.410 1.00 0.40 H new ATOM 0 HG23 ILE B 88 9.773 -3.238 -2.821 1.00 0.40 H new ATOM 0 HD11 ILE B 88 7.275 -4.733 0.053 1.00 0.41 H new ATOM 0 HD12 ILE B 88 6.644 -5.231 -1.534 1.00 0.41 H new ATOM 0 HD13 ILE B 88 8.400 -5.117 -1.271 1.00 0.41 H new ATOM 1078 N LEU B 89 7.156 -1.994 -5.791 1.00 0.33 N ATOM 1079 CA LEU B 89 7.503 -1.942 -7.237 1.00 0.41 C ATOM 1080 C LEU B 89 7.883 -0.502 -7.613 1.00 0.44 C ATOM 1081 O LEU B 89 8.888 -0.268 -8.254 1.00 0.51 O ATOM 1082 CB LEU B 89 6.299 -2.456 -8.065 1.00 0.44 C ATOM 1083 CG LEU B 89 5.722 -1.364 -8.981 1.00 0.76 C ATOM 1084 CD1 LEU B 89 6.718 -1.051 -10.099 1.00 1.14 C ATOM 1085 CD2 LEU B 89 4.412 -1.862 -9.597 1.00 1.06 C ATOM 0 H LEU B 89 6.225 -2.351 -5.578 1.00 0.33 H new ATOM 0 HA LEU B 89 8.359 -2.582 -7.453 1.00 0.41 H new ATOM 0 HB2 LEU B 89 6.612 -3.308 -8.669 1.00 0.44 H new ATOM 0 HB3 LEU B 89 5.520 -2.812 -7.390 1.00 0.44 H new ATOM 0 HG LEU B 89 5.537 -0.462 -8.398 1.00 0.76 H new ATOM 0 HD11 LEU B 89 6.307 -0.277 -10.747 1.00 1.14 H new ATOM 0 HD12 LEU B 89 7.654 -0.701 -9.665 1.00 1.14 H new ATOM 0 HD13 LEU B 89 6.904 -1.952 -10.684 1.00 1.14 H new ATOM 0 HD21 LEU B 89 3.999 -1.091 -10.247 1.00 1.06 H new ATOM 0 HD22 LEU B 89 4.603 -2.763 -10.179 1.00 1.06 H new ATOM 0 HD23 LEU B 89 3.699 -2.087 -8.804 1.00 1.06 H new ATOM 1097 N LEU B 90 7.099 0.463 -7.214 1.00 0.40 N ATOM 1098 CA LEU B 90 7.447 1.874 -7.554 1.00 0.47 C ATOM 1099 C LEU B 90 8.840 2.186 -7.005 1.00 0.51 C ATOM 1100 O LEU B 90 9.687 2.720 -7.695 1.00 0.60 O ATOM 1101 CB LEU B 90 6.428 2.838 -6.934 1.00 0.47 C ATOM 1102 CG LEU B 90 5.551 3.432 -8.038 1.00 1.14 C ATOM 1103 CD1 LEU B 90 6.416 4.256 -8.992 1.00 2.02 C ATOM 1104 CD2 LEU B 90 4.873 2.301 -8.815 1.00 1.67 C ATOM 0 H LEU B 90 6.243 0.339 -6.674 1.00 0.40 H new ATOM 0 HA LEU B 90 7.433 1.997 -8.637 1.00 0.47 H new ATOM 0 HB2 LEU B 90 5.809 2.312 -6.207 1.00 0.47 H new ATOM 0 HB3 LEU B 90 6.944 3.634 -6.397 1.00 0.47 H new ATOM 0 HG LEU B 90 4.792 4.074 -7.591 1.00 1.14 H new ATOM 0 HD11 LEU B 90 5.790 4.678 -9.778 1.00 2.02 H new ATOM 0 HD12 LEU B 90 6.899 5.062 -8.440 1.00 2.02 H new ATOM 0 HD13 LEU B 90 7.176 3.615 -9.439 1.00 2.02 H new ATOM 0 HD21 LEU B 90 4.248 2.724 -9.602 1.00 1.67 H new ATOM 0 HD22 LEU B 90 5.633 1.659 -9.261 1.00 1.67 H new ATOM 0 HD23 LEU B 90 4.254 1.713 -8.137 1.00 1.67 H new ATOM 1116 N ILE B 91 9.086 1.844 -5.768 1.00 0.47 N ATOM 1117 CA ILE B 91 10.427 2.106 -5.175 1.00 0.57 C ATOM 1118 C ILE B 91 11.494 1.416 -6.018 1.00 0.65 C ATOM 1119 O ILE B 91 12.499 2.003 -6.366 1.00 0.77 O ATOM 1120 CB ILE B 91 10.470 1.568 -3.744 1.00 0.55 C ATOM 1121 CG1 ILE B 91 9.365 2.233 -2.918 1.00 0.51 C ATOM 1122 CG2 ILE B 91 11.829 1.887 -3.119 1.00 0.66 C ATOM 1123 CD1 ILE B 91 9.361 1.650 -1.504 1.00 0.54 C ATOM 0 H ILE B 91 8.416 1.395 -5.144 1.00 0.47 H new ATOM 0 HA ILE B 91 10.616 3.179 -5.158 1.00 0.57 H new ATOM 0 HB ILE B 91 10.319 0.489 -3.757 1.00 0.55 H new ATOM 0 HG12 ILE B 91 9.525 3.310 -2.878 1.00 0.51 H new ATOM 0 HG13 ILE B 91 8.396 2.072 -3.391 1.00 0.51 H new ATOM 0 HG21 ILE B 91 11.859 1.504 -2.099 1.00 0.66 H new ATOM 0 HG22 ILE B 91 12.619 1.419 -3.707 1.00 0.66 H new ATOM 0 HG23 ILE B 91 11.979 2.967 -3.105 1.00 0.66 H new ATOM 0 HD11 ILE B 91 8.574 2.124 -0.917 1.00 0.54 H new ATOM 0 HD12 ILE B 91 9.180 0.576 -1.554 1.00 0.54 H new ATOM 0 HD13 ILE B 91 10.326 1.834 -1.032 1.00 0.54 H new ATOM 1135 N SER B 92 11.284 0.173 -6.359 1.00 0.63 N ATOM 1136 CA SER B 92 12.294 -0.536 -7.187 1.00 0.76 C ATOM 1137 C SER B 92 12.505 0.252 -8.478 1.00 0.83 C ATOM 1138 O SER B 92 13.619 0.515 -8.880 1.00 0.95 O ATOM 1139 CB SER B 92 11.791 -1.941 -7.518 1.00 0.74 C ATOM 1140 OG SER B 92 11.162 -2.496 -6.371 1.00 1.53 O ATOM 0 H SER B 92 10.464 -0.376 -6.102 1.00 0.63 H new ATOM 0 HA SER B 92 13.234 -0.616 -6.642 1.00 0.76 H new ATOM 0 HB2 SER B 92 11.087 -1.901 -8.350 1.00 0.74 H new ATOM 0 HB3 SER B 92 12.622 -2.573 -7.833 1.00 0.74 H new ATOM 0 HG SER B 92 10.243 -2.161 -6.307 1.00 1.53 H new ATOM 1146 N TYR B 93 11.443 0.644 -9.125 1.00 0.77 N ATOM 1147 CA TYR B 93 11.601 1.428 -10.379 1.00 0.87 C ATOM 1148 C TYR B 93 12.416 2.691 -10.083 1.00 0.94 C ATOM 1149 O TYR B 93 13.356 3.012 -10.782 1.00 1.07 O ATOM 1150 CB TYR B 93 10.220 1.825 -10.905 1.00 0.83 C ATOM 1151 CG TYR B 93 10.204 1.737 -12.413 1.00 1.09 C ATOM 1152 CD1 TYR B 93 10.570 2.848 -13.182 1.00 1.68 C ATOM 1153 CD2 TYR B 93 9.820 0.546 -13.041 1.00 1.74 C ATOM 1154 CE1 TYR B 93 10.552 2.768 -14.581 1.00 2.03 C ATOM 1155 CE2 TYR B 93 9.801 0.467 -14.438 1.00 1.99 C ATOM 1156 CZ TYR B 93 10.167 1.577 -15.208 1.00 1.84 C ATOM 1157 OH TYR B 93 10.148 1.498 -16.586 1.00 2.25 O ATOM 0 H TYR B 93 10.481 0.457 -8.842 1.00 0.77 H new ATOM 0 HA TYR B 93 12.116 0.826 -11.128 1.00 0.87 H new ATOM 0 HB2 TYR B 93 9.458 1.169 -10.485 1.00 0.83 H new ATOM 0 HB3 TYR B 93 9.977 2.839 -10.588 1.00 0.83 H new ATOM 0 HD1 TYR B 93 10.866 3.767 -12.697 1.00 1.68 H new ATOM 0 HD2 TYR B 93 9.539 -0.311 -12.448 1.00 1.74 H new ATOM 0 HE1 TYR B 93 10.835 3.624 -15.175 1.00 2.03 H new ATOM 0 HE2 TYR B 93 9.504 -0.451 -14.922 1.00 1.99 H new ATOM 0 HH TYR B 93 9.859 0.602 -16.858 1.00 2.25 H new ATOM 1167 N GLY B 94 12.068 3.407 -9.042 1.00 0.88 N ATOM 1168 CA GLY B 94 12.829 4.640 -8.699 1.00 0.98 C ATOM 1169 C GLY B 94 14.300 4.290 -8.477 1.00 1.10 C ATOM 1170 O GLY B 94 15.189 4.937 -8.994 1.00 1.24 O ATOM 0 H GLY B 94 11.291 3.188 -8.418 1.00 0.88 H new ATOM 0 HA2 GLY B 94 12.736 5.372 -9.501 1.00 0.98 H new ATOM 0 HA3 GLY B 94 12.414 5.097 -7.801 1.00 0.98 H new ATOM 1174 N ILE B 95 14.563 3.267 -7.707 1.00 1.07 N ATOM 1175 CA ILE B 95 15.982 2.877 -7.453 1.00 1.22 C ATOM 1176 C ILE B 95 16.675 2.592 -8.791 1.00 1.34 C ATOM 1177 O ILE B 95 17.770 3.054 -9.047 1.00 1.50 O ATOM 1178 CB ILE B 95 16.038 1.644 -6.523 1.00 1.20 C ATOM 1179 CG1 ILE B 95 17.174 1.832 -5.517 1.00 1.37 C ATOM 1180 CG2 ILE B 95 16.282 0.355 -7.318 1.00 1.50 C ATOM 1181 CD1 ILE B 95 16.591 2.197 -4.151 1.00 1.81 C ATOM 0 H ILE B 95 13.862 2.688 -7.245 1.00 1.07 H new ATOM 0 HA ILE B 95 16.504 3.694 -6.955 1.00 1.22 H new ATOM 0 HB ILE B 95 15.080 1.555 -6.011 1.00 1.20 H new ATOM 0 HG12 ILE B 95 17.761 0.917 -5.441 1.00 1.37 H new ATOM 0 HG13 ILE B 95 17.849 2.617 -5.857 1.00 1.37 H new ATOM 0 HG21 ILE B 95 16.316 -0.493 -6.634 1.00 1.50 H new ATOM 0 HG22 ILE B 95 15.474 0.211 -8.035 1.00 1.50 H new ATOM 0 HG23 ILE B 95 17.230 0.430 -7.851 1.00 1.50 H new ATOM 0 HD11 ILE B 95 17.401 2.331 -3.434 1.00 1.81 H new ATOM 0 HD12 ILE B 95 16.023 3.123 -4.234 1.00 1.81 H new ATOM 0 HD13 ILE B 95 15.934 1.397 -3.811 1.00 1.81 H new ATOM 1193 N ARG B 96 16.042 1.831 -9.644 1.00 1.29 N ATOM 1194 CA ARG B 96 16.661 1.514 -10.962 1.00 1.42 C ATOM 1195 C ARG B 96 16.972 2.816 -11.699 1.00 1.52 C ATOM 1196 O ARG B 96 18.049 3.005 -12.225 1.00 1.68 O ATOM 1197 CB ARG B 96 15.693 0.673 -11.798 1.00 1.36 C ATOM 1198 CG ARG B 96 16.437 0.069 -12.990 1.00 1.61 C ATOM 1199 CD ARG B 96 15.627 -1.100 -13.554 1.00 1.77 C ATOM 1200 NE ARG B 96 14.194 -0.702 -13.658 1.00 1.70 N ATOM 1201 CZ ARG B 96 13.363 -1.425 -14.359 1.00 2.10 C ATOM 1202 NH1 ARG B 96 13.311 -1.288 -15.656 1.00 2.54 N ATOM 1203 NH2 ARG B 96 12.585 -2.287 -13.762 1.00 2.69 N ATOM 0 H ARG B 96 15.124 1.416 -9.484 1.00 1.29 H new ATOM 0 HA ARG B 96 17.582 0.952 -10.805 1.00 1.42 H new ATOM 0 HB2 ARG B 96 15.262 -0.119 -11.186 1.00 1.36 H new ATOM 0 HB3 ARG B 96 14.866 1.292 -12.148 1.00 1.36 H new ATOM 0 HG2 ARG B 96 16.589 0.826 -13.760 1.00 1.61 H new ATOM 0 HG3 ARG B 96 17.424 -0.274 -12.681 1.00 1.61 H new ATOM 0 HD2 ARG B 96 16.010 -1.383 -14.535 1.00 1.77 H new ATOM 0 HD3 ARG B 96 15.728 -1.972 -12.908 1.00 1.77 H new ATOM 0 HE ARG B 96 13.862 0.136 -13.181 1.00 1.70 H new ATOM 0 HH11 ARG B 96 13.920 -0.616 -16.123 1.00 2.54 H new ATOM 0 HH12 ARG B 96 12.662 -1.853 -16.203 1.00 2.54 H new ATOM 0 HH21 ARG B 96 12.627 -2.395 -12.749 1.00 2.69 H new ATOM 0 HH22 ARG B 96 11.936 -2.852 -14.309 1.00 2.69 H new ATOM 1217 N ARG B 97 16.036 3.719 -11.742 1.00 1.43 N ATOM 1218 CA ARG B 97 16.282 5.009 -12.440 1.00 1.55 C ATOM 1219 C ARG B 97 17.503 5.699 -11.830 1.00 1.67 C ATOM 1220 O ARG B 97 18.373 6.179 -12.527 1.00 1.83 O ATOM 1221 CB ARG B 97 15.054 5.911 -12.302 1.00 1.45 C ATOM 1222 CG ARG B 97 15.408 7.330 -12.751 1.00 1.62 C ATOM 1223 CD ARG B 97 14.372 7.815 -13.768 1.00 1.72 C ATOM 1224 NE ARG B 97 14.866 9.056 -14.434 1.00 2.17 N ATOM 1225 CZ ARG B 97 15.542 9.941 -13.753 1.00 2.50 C ATOM 1226 NH1 ARG B 97 14.923 10.739 -12.926 1.00 2.89 N ATOM 1227 NH2 ARG B 97 16.836 10.030 -13.901 1.00 3.17 N ATOM 0 H ARG B 97 15.111 3.620 -11.324 1.00 1.43 H new ATOM 0 HA ARG B 97 16.469 4.818 -13.497 1.00 1.55 H new ATOM 0 HB2 ARG B 97 14.234 5.521 -12.905 1.00 1.45 H new ATOM 0 HB3 ARG B 97 14.712 5.921 -11.267 1.00 1.45 H new ATOM 0 HG2 ARG B 97 15.431 8.000 -11.892 1.00 1.62 H new ATOM 0 HG3 ARG B 97 16.404 7.345 -13.194 1.00 1.62 H new ATOM 0 HD2 ARG B 97 14.187 7.040 -14.512 1.00 1.72 H new ATOM 0 HD3 ARG B 97 13.423 8.011 -13.270 1.00 1.72 H new ATOM 0 HE ARG B 97 14.675 9.213 -15.424 1.00 2.17 H new ATOM 0 HH11 ARG B 97 13.912 10.671 -12.812 1.00 2.89 H new ATOM 0 HH12 ARG B 97 15.451 11.431 -12.394 1.00 2.89 H new ATOM 0 HH21 ARG B 97 17.319 9.408 -14.549 1.00 3.17 H new ATOM 0 HH22 ARG B 97 17.364 10.722 -13.369 1.00 3.17 H new ATOM 1241 N LEU B 98 17.571 5.761 -10.530 1.00 1.62 N ATOM 1242 CA LEU B 98 18.730 6.427 -9.877 1.00 1.76 C ATOM 1243 C LEU B 98 20.031 5.768 -10.343 1.00 1.92 C ATOM 1244 O LEU B 98 20.982 6.437 -10.696 1.00 2.09 O ATOM 1245 CB LEU B 98 18.606 6.287 -8.358 1.00 1.69 C ATOM 1246 CG LEU B 98 17.839 7.483 -7.793 1.00 1.72 C ATOM 1247 CD1 LEU B 98 16.878 7.007 -6.701 1.00 1.72 C ATOM 1248 CD2 LEU B 98 18.829 8.486 -7.197 1.00 2.01 C ATOM 0 H LEU B 98 16.873 5.379 -9.892 1.00 1.62 H new ATOM 0 HA LEU B 98 18.741 7.483 -10.148 1.00 1.76 H new ATOM 0 HB2 LEU B 98 18.089 5.360 -8.109 1.00 1.69 H new ATOM 0 HB3 LEU B 98 19.596 6.231 -7.906 1.00 1.69 H new ATOM 0 HG LEU B 98 17.272 7.960 -8.592 1.00 1.72 H new ATOM 0 HD11 LEU B 98 16.332 7.861 -6.299 1.00 1.72 H new ATOM 0 HD12 LEU B 98 16.173 6.291 -7.124 1.00 1.72 H new ATOM 0 HD13 LEU B 98 17.444 6.529 -5.901 1.00 1.72 H new ATOM 0 HD21 LEU B 98 18.284 9.339 -6.794 1.00 2.01 H new ATOM 0 HD22 LEU B 98 19.396 8.007 -6.399 1.00 2.01 H new ATOM 0 HD23 LEU B 98 19.514 8.827 -7.974 1.00 2.01 H new ATOM 1260 N ILE B 99 20.083 4.466 -10.340 1.00 1.89 N ATOM 1261 CA ILE B 99 21.327 3.769 -10.776 1.00 2.07 C ATOM 1262 C ILE B 99 21.413 3.745 -12.307 1.00 2.17 C ATOM 1263 O ILE B 99 22.482 3.635 -12.871 1.00 2.50 O ATOM 1264 CB ILE B 99 21.314 2.334 -10.249 1.00 2.14 C ATOM 1265 CG1 ILE B 99 20.143 1.576 -10.877 1.00 2.13 C ATOM 1266 CG2 ILE B 99 21.153 2.348 -8.728 1.00 2.25 C ATOM 1267 CD1 ILE B 99 20.585 0.155 -11.231 1.00 2.38 C ATOM 0 H ILE B 99 19.319 3.853 -10.055 1.00 1.89 H new ATOM 0 HA ILE B 99 22.190 4.303 -10.380 1.00 2.07 H new ATOM 0 HB ILE B 99 22.251 1.842 -10.509 1.00 2.14 H new ATOM 0 HG12 ILE B 99 19.303 1.545 -10.183 1.00 2.13 H new ATOM 0 HG13 ILE B 99 19.799 2.094 -11.772 1.00 2.13 H new ATOM 0 HG21 ILE B 99 21.144 1.324 -8.354 1.00 2.25 H new ATOM 0 HG22 ILE B 99 21.985 2.891 -8.279 1.00 2.25 H new ATOM 0 HG23 ILE B 99 20.216 2.839 -8.466 1.00 2.25 H new ATOM 0 HD11 ILE B 99 19.750 -0.385 -11.678 1.00 2.38 H new ATOM 0 HD12 ILE B 99 21.412 0.197 -11.940 1.00 2.38 H new ATOM 0 HD13 ILE B 99 20.908 -0.361 -10.327 1.00 2.38 H new ATOM 1279 N LYS B 100 20.300 3.836 -12.984 1.00 2.25 N ATOM 1280 CA LYS B 100 20.337 3.804 -14.475 1.00 2.60 C ATOM 1281 C LYS B 100 19.455 4.918 -15.041 1.00 2.97 C ATOM 1282 O LYS B 100 18.347 5.135 -14.596 1.00 3.27 O ATOM 1283 CB LYS B 100 19.823 2.452 -14.967 1.00 2.80 C ATOM 1284 CG LYS B 100 20.902 1.770 -15.810 1.00 3.38 C ATOM 1285 CD LYS B 100 20.959 0.283 -15.456 1.00 3.94 C ATOM 1286 CE LYS B 100 22.251 -0.010 -14.692 1.00 4.56 C ATOM 1287 NZ LYS B 100 22.275 -1.445 -14.290 1.00 5.22 N ATOM 0 H LYS B 100 19.372 3.931 -12.572 1.00 2.25 H new ATOM 0 HA LYS B 100 21.363 3.952 -14.811 1.00 2.60 H new ATOM 0 HB2 LYS B 100 19.557 1.822 -14.118 1.00 2.80 H new ATOM 0 HB3 LYS B 100 18.917 2.589 -15.558 1.00 2.80 H new ATOM 0 HG2 LYS B 100 20.683 1.895 -16.871 1.00 3.38 H new ATOM 0 HG3 LYS B 100 21.870 2.236 -15.627 1.00 3.38 H new ATOM 0 HD2 LYS B 100 20.095 0.009 -14.850 1.00 3.94 H new ATOM 0 HD3 LYS B 100 20.916 -0.320 -16.363 1.00 3.94 H new ATOM 0 HE2 LYS B 100 23.115 0.219 -15.316 1.00 4.56 H new ATOM 0 HE3 LYS B 100 22.317 0.627 -13.810 1.00 4.56 H new ATOM 0 HZ1 LYS B 100 23.153 -1.645 -13.770 1.00 5.22 H new ATOM 0 HZ2 LYS B 100 21.458 -1.648 -13.680 1.00 5.22 H new ATOM 0 HZ3 LYS B 100 22.231 -2.044 -15.139 1.00 5.22 H new ATOM 1301 N LYS B 101 19.939 5.620 -16.028 1.00 3.27 N ATOM 1302 CA LYS B 101 19.128 6.718 -16.629 1.00 3.83 C ATOM 1303 C LYS B 101 18.874 7.799 -15.577 1.00 4.00 C ATOM 1304 O LYS B 101 19.832 8.234 -14.961 1.00 4.36 O ATOM 1305 CB LYS B 101 17.790 6.155 -17.116 1.00 4.43 C ATOM 1306 CG LYS B 101 17.909 5.751 -18.587 1.00 5.03 C ATOM 1307 CD LYS B 101 16.544 5.881 -19.267 1.00 5.77 C ATOM 1308 CE LYS B 101 15.982 4.488 -19.558 1.00 6.68 C ATOM 1309 NZ LYS B 101 14.760 4.264 -18.734 1.00 7.38 N ATOM 1310 OXT LYS B 101 17.725 8.172 -15.405 1.00 4.28 O ATOM 0 H LYS B 101 20.860 5.482 -16.445 1.00 3.27 H new ATOM 0 HA LYS B 101 19.669 7.151 -17.471 1.00 3.83 H new ATOM 0 HB2 LYS B 101 17.506 5.292 -16.513 1.00 4.43 H new ATOM 0 HB3 LYS B 101 17.004 6.901 -16.996 1.00 4.43 H new ATOM 0 HG2 LYS B 101 18.639 6.384 -19.091 1.00 5.03 H new ATOM 0 HG3 LYS B 101 18.269 4.725 -18.665 1.00 5.03 H new ATOM 0 HD2 LYS B 101 15.858 6.434 -18.626 1.00 5.77 H new ATOM 0 HD3 LYS B 101 16.640 6.446 -20.194 1.00 5.77 H new ATOM 0 HE2 LYS B 101 15.742 4.395 -20.617 1.00 6.68 H new ATOM 0 HE3 LYS B 101 16.730 3.728 -19.333 1.00 6.68 H new ATOM 0 HZ1 LYS B 101 14.377 3.317 -18.931 1.00 7.38 H new ATOM 0 HZ2 LYS B 101 15.003 4.336 -17.725 1.00 7.38 H new ATOM 0 HZ3 LYS B 101 14.046 4.982 -18.970 1.00 7.38 H new TER 1324 LYS B 101