USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=15 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 Single : A 63 GLN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.288 K(o=-0.29,f=-0.87) USER MOD Single : A 67 HIS : no HE2:sc= -0.99 K(o=-0.99,f=-1.5) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -175:sc= -0.656 USER MOD Single : A 81 MET CE :methyl 149:sc= -0.147 (180deg=-1.38) USER MOD Single : A 87 THR OG1 : rot 72:sc= -0.611 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0434 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+ 162:sc=-0.00951 (180deg=-0.276) USER MOD Single : B 63 GLN : amide:sc= 0.596 K(o=0.6,f=0) USER MOD Single : B 66 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.095) USER MOD Single : B 67 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=-0.25) USER MOD Single : B 69 SER OG : rot 56:sc= -0.125 USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl -176:sc= -1.28 (180deg=-1.36) USER MOD Single : B 87 THR OG1 : rot 77:sc= 0.15 USER MOD Single : B 92 SER OG : rot 180:sc= 0.00095 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+ -159:sc= -0.0131 (180deg=-0.115) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 62 -34.119 -8.870 -10.201 1.00 18.74 N ATOM 2 CA VAL A 62 -33.191 -8.525 -9.087 1.00 18.11 C ATOM 3 C VAL A 62 -33.958 -7.773 -7.999 1.00 17.30 C ATOM 4 O VAL A 62 -35.138 -7.514 -8.125 1.00 17.26 O ATOM 5 CB VAL A 62 -32.061 -7.642 -9.620 1.00 18.42 C ATOM 6 CG1 VAL A 62 -31.337 -8.367 -10.756 1.00 18.58 C ATOM 7 CG2 VAL A 62 -32.648 -6.330 -10.145 1.00 18.59 C ATOM 0 HA VAL A 62 -32.770 -9.439 -8.668 1.00 18.11 H new ATOM 0 HB VAL A 62 -31.354 -7.431 -8.817 1.00 18.42 H new ATOM 0 HG11 VAL A 62 -30.532 -7.737 -11.135 1.00 18.58 H new ATOM 0 HG12 VAL A 62 -30.921 -9.303 -10.383 1.00 18.58 H new ATOM 0 HG13 VAL A 62 -32.042 -8.578 -11.560 1.00 18.58 H new ATOM 0 HG21 VAL A 62 -31.845 -5.699 -10.525 1.00 18.59 H new ATOM 0 HG22 VAL A 62 -33.354 -6.543 -10.948 1.00 18.59 H new ATOM 0 HG23 VAL A 62 -33.164 -5.813 -9.336 1.00 18.59 H new ATOM 19 N GLN A 63 -33.298 -7.418 -6.930 1.00 16.78 N ATOM 20 CA GLN A 63 -33.993 -6.683 -5.837 1.00 16.11 C ATOM 21 C GLN A 63 -32.956 -6.078 -4.889 1.00 15.69 C ATOM 22 O GLN A 63 -32.172 -6.779 -4.280 1.00 15.68 O ATOM 23 CB GLN A 63 -34.889 -7.651 -5.061 1.00 16.10 C ATOM 24 CG GLN A 63 -34.096 -8.910 -4.706 1.00 15.49 C ATOM 25 CD GLN A 63 -35.014 -9.910 -4.001 1.00 15.09 C ATOM 26 OE1 GLN A 63 -35.877 -10.500 -4.618 1.00 15.39 O ATOM 27 NE2 GLN A 63 -34.860 -10.127 -2.724 1.00 14.56 N ATOM 0 H GLN A 63 -32.309 -7.605 -6.767 1.00 16.78 H new ATOM 0 HA GLN A 63 -34.602 -5.887 -6.265 1.00 16.11 H new ATOM 0 HB2 GLN A 63 -35.258 -7.173 -4.153 1.00 16.10 H new ATOM 0 HB3 GLN A 63 -35.761 -7.915 -5.659 1.00 16.10 H new ATOM 0 HG2 GLN A 63 -33.679 -9.357 -5.609 1.00 15.49 H new ATOM 0 HG3 GLN A 63 -33.256 -8.654 -4.060 1.00 15.49 H new ATOM 0 HE21 GLN A 63 -34.135 -9.631 -2.206 1.00 14.56 H new ATOM 0 HE22 GLN A 63 -35.465 -10.793 -2.243 1.00 14.56 H new ATOM 36 N LEU A 64 -32.945 -4.779 -4.759 1.00 15.49 N ATOM 37 CA LEU A 64 -31.960 -4.127 -3.850 1.00 15.26 C ATOM 38 C LEU A 64 -32.201 -4.596 -2.415 1.00 14.77 C ATOM 39 O LEU A 64 -31.348 -4.469 -1.558 1.00 14.94 O ATOM 40 CB LEU A 64 -32.128 -2.608 -3.924 1.00 15.58 C ATOM 41 CG LEU A 64 -30.854 -1.978 -4.490 1.00 15.97 C ATOM 42 CD1 LEU A 64 -31.151 -1.372 -5.862 1.00 16.71 C ATOM 43 CD2 LEU A 64 -30.366 -0.879 -3.543 1.00 16.05 C ATOM 0 H LEU A 64 -33.576 -4.141 -5.244 1.00 15.49 H new ATOM 0 HA LEU A 64 -30.949 -4.398 -4.155 1.00 15.26 H new ATOM 0 HB2 LEU A 64 -32.981 -2.357 -4.554 1.00 15.58 H new ATOM 0 HB3 LEU A 64 -32.335 -2.206 -2.932 1.00 15.58 H new ATOM 0 HG LEU A 64 -30.083 -2.742 -4.589 1.00 15.97 H new ATOM 0 HD11 LEU A 64 -30.243 -0.923 -6.266 1.00 16.71 H new ATOM 0 HD12 LEU A 64 -31.500 -2.153 -6.537 1.00 16.71 H new ATOM 0 HD13 LEU A 64 -31.921 -0.607 -5.763 1.00 16.71 H new ATOM 0 HD21 LEU A 64 -29.458 -0.429 -3.945 1.00 16.05 H new ATOM 0 HD22 LEU A 64 -31.137 -0.115 -3.445 1.00 16.05 H new ATOM 0 HD23 LEU A 64 -30.155 -1.310 -2.564 1.00 16.05 H new ATOM 55 N ALA A 65 -33.357 -5.139 -2.144 1.00 14.32 N ATOM 56 CA ALA A 65 -33.652 -5.616 -0.764 1.00 14.03 C ATOM 57 C ALA A 65 -32.621 -6.671 -0.354 1.00 13.34 C ATOM 58 O ALA A 65 -32.493 -7.007 0.807 1.00 13.29 O ATOM 59 CB ALA A 65 -35.053 -6.231 -0.729 1.00 14.31 C ATOM 0 H ALA A 65 -34.110 -5.273 -2.819 1.00 14.32 H new ATOM 0 HA ALA A 65 -33.604 -4.776 -0.071 1.00 14.03 H new ATOM 0 HB1 ALA A 65 -35.272 -6.581 0.280 1.00 14.31 H new ATOM 0 HB2 ALA A 65 -35.787 -5.480 -1.020 1.00 14.31 H new ATOM 0 HB3 ALA A 65 -35.099 -7.071 -1.422 1.00 14.31 H new ATOM 65 N HIS A 66 -31.888 -7.198 -1.296 1.00 12.98 N ATOM 66 CA HIS A 66 -30.870 -8.231 -0.958 1.00 12.48 C ATOM 67 C HIS A 66 -29.467 -7.651 -1.148 1.00 11.62 C ATOM 68 O HIS A 66 -28.993 -7.496 -2.256 1.00 11.76 O ATOM 69 CB HIS A 66 -31.049 -9.440 -1.877 1.00 12.81 C ATOM 70 CG HIS A 66 -30.536 -10.675 -1.188 1.00 13.36 C ATOM 71 ND1 HIS A 66 -30.872 -10.986 0.119 1.00 13.57 N ATOM 72 CD2 HIS A 66 -29.712 -11.687 -1.615 1.00 13.93 C ATOM 73 CE1 HIS A 66 -30.259 -12.144 0.431 1.00 14.23 C ATOM 74 NE2 HIS A 66 -29.539 -12.614 -0.591 1.00 14.47 N ATOM 0 H HIS A 66 -31.950 -6.957 -2.285 1.00 12.98 H new ATOM 0 HA HIS A 66 -30.997 -8.539 0.080 1.00 12.48 H new ATOM 0 HB2 HIS A 66 -32.102 -9.564 -2.132 1.00 12.81 H new ATOM 0 HB3 HIS A 66 -30.511 -9.282 -2.812 1.00 12.81 H new ATOM 0 HD2 HIS A 66 -29.266 -11.754 -2.596 1.00 13.93 H new ATOM 0 HE1 HIS A 66 -30.340 -12.633 1.391 1.00 14.23 H new ATOM 0 HE2 HIS A 66 -28.982 -13.468 -0.616 1.00 14.47 H new ATOM 82 N HIS A 67 -28.796 -7.332 -0.075 1.00 10.90 N ATOM 83 CA HIS A 67 -27.423 -6.764 -0.195 1.00 10.21 C ATOM 84 C HIS A 67 -26.741 -6.785 1.175 1.00 9.43 C ATOM 85 O HIS A 67 -27.220 -6.200 2.126 1.00 9.32 O ATOM 86 CB HIS A 67 -27.506 -5.322 -0.702 1.00 10.37 C ATOM 87 CG HIS A 67 -28.067 -4.440 0.378 1.00 10.53 C ATOM 88 ND1 HIS A 67 -29.417 -4.418 0.689 1.00 10.58 N ATOM 89 CD2 HIS A 67 -27.471 -3.543 1.231 1.00 10.88 C ATOM 90 CE1 HIS A 67 -29.589 -3.534 1.688 1.00 10.97 C ATOM 91 NE2 HIS A 67 -28.435 -2.972 2.057 1.00 11.15 N ATOM 0 H HIS A 67 -29.139 -7.440 0.879 1.00 10.90 H new ATOM 0 HA HIS A 67 -26.844 -7.362 -0.899 1.00 10.21 H new ATOM 0 HB2 HIS A 67 -26.516 -4.971 -0.995 1.00 10.37 H new ATOM 0 HB3 HIS A 67 -28.137 -5.274 -1.590 1.00 10.37 H new ATOM 0 HD1 HIS A 67 -30.148 -4.972 0.242 1.00 10.58 H new ATOM 0 HD2 HIS A 67 -26.416 -3.316 1.257 1.00 10.88 H new ATOM 0 HE1 HIS A 67 -30.544 -3.306 2.137 1.00 10.97 H new ATOM 99 N PHE A 68 -25.624 -7.452 1.283 1.00 9.11 N ATOM 100 CA PHE A 68 -24.916 -7.505 2.594 1.00 8.55 C ATOM 101 C PHE A 68 -23.410 -7.643 2.358 1.00 7.46 C ATOM 102 O PHE A 68 -22.663 -7.985 3.253 1.00 7.39 O ATOM 103 CB PHE A 68 -25.418 -8.707 3.398 1.00 8.98 C ATOM 104 CG PHE A 68 -25.425 -9.936 2.521 1.00 9.76 C ATOM 105 CD1 PHE A 68 -24.272 -10.720 2.404 1.00 10.29 C ATOM 106 CD2 PHE A 68 -26.587 -10.293 1.826 1.00 10.19 C ATOM 107 CE1 PHE A 68 -24.279 -11.860 1.593 1.00 11.19 C ATOM 108 CE2 PHE A 68 -26.595 -11.433 1.014 1.00 11.10 C ATOM 109 CZ PHE A 68 -25.441 -12.217 0.897 1.00 11.57 C ATOM 0 H PHE A 68 -25.172 -7.961 0.523 1.00 9.11 H new ATOM 0 HA PHE A 68 -25.114 -6.588 3.149 1.00 8.55 H new ATOM 0 HB2 PHE A 68 -24.778 -8.870 4.265 1.00 8.98 H new ATOM 0 HB3 PHE A 68 -26.422 -8.511 3.775 1.00 8.98 H new ATOM 0 HD1 PHE A 68 -23.376 -10.445 2.940 1.00 10.29 H new ATOM 0 HD2 PHE A 68 -27.477 -9.688 1.917 1.00 10.19 H new ATOM 0 HE1 PHE A 68 -23.389 -12.465 1.504 1.00 11.19 H new ATOM 0 HE2 PHE A 68 -27.491 -11.708 0.478 1.00 11.10 H new ATOM 0 HZ PHE A 68 -25.447 -13.097 0.270 1.00 11.57 H new ATOM 119 N SER A 69 -22.957 -7.377 1.163 1.00 6.86 N ATOM 120 CA SER A 69 -21.500 -7.492 0.879 1.00 6.01 C ATOM 121 C SER A 69 -21.006 -6.201 0.223 1.00 5.07 C ATOM 122 O SER A 69 -20.075 -6.206 -0.556 1.00 5.28 O ATOM 123 CB SER A 69 -21.254 -8.671 -0.063 1.00 6.54 C ATOM 124 OG SER A 69 -22.408 -8.879 -0.868 1.00 7.08 O ATOM 0 H SER A 69 -23.533 -7.086 0.373 1.00 6.86 H new ATOM 0 HA SER A 69 -20.960 -7.656 1.811 1.00 6.01 H new ATOM 0 HB2 SER A 69 -20.388 -8.472 -0.694 1.00 6.54 H new ATOM 0 HB3 SER A 69 -21.031 -9.570 0.512 1.00 6.54 H new ATOM 0 HG SER A 69 -22.252 -9.633 -1.474 1.00 7.08 H new ATOM 130 N GLU A 70 -21.630 -5.097 0.528 1.00 4.41 N ATOM 131 CA GLU A 70 -21.204 -3.804 -0.080 1.00 3.84 C ATOM 132 C GLU A 70 -19.951 -3.268 0.627 1.00 2.84 C ATOM 133 O GLU A 70 -18.968 -2.960 -0.018 1.00 3.00 O ATOM 134 CB GLU A 70 -22.337 -2.784 0.053 1.00 4.55 C ATOM 135 CG GLU A 70 -22.705 -2.244 -1.332 1.00 5.41 C ATOM 136 CD GLU A 70 -23.258 -3.379 -2.194 1.00 6.00 C ATOM 137 OE1 GLU A 70 -23.165 -4.519 -1.769 1.00 6.28 O ATOM 138 OE2 GLU A 70 -23.765 -3.090 -3.266 1.00 6.49 O ATOM 0 H GLU A 70 -22.418 -5.034 1.173 1.00 4.41 H new ATOM 0 HA GLU A 70 -20.973 -3.968 -1.133 1.00 3.84 H new ATOM 0 HB2 GLU A 70 -23.207 -3.250 0.516 1.00 4.55 H new ATOM 0 HB3 GLU A 70 -22.029 -1.966 0.704 1.00 4.55 H new ATOM 0 HG2 GLU A 70 -23.446 -1.450 -1.239 1.00 5.41 H new ATOM 0 HG3 GLU A 70 -21.827 -1.807 -1.808 1.00 5.41 H new ATOM 145 N PRO A 71 -20.024 -3.156 1.932 1.00 2.18 N ATOM 146 CA PRO A 71 -18.902 -2.636 2.739 1.00 1.51 C ATOM 147 C PRO A 71 -17.662 -3.527 2.594 1.00 1.23 C ATOM 148 O PRO A 71 -16.580 -3.167 3.015 1.00 1.13 O ATOM 149 CB PRO A 71 -19.417 -2.655 4.185 1.00 1.87 C ATOM 150 CG PRO A 71 -20.878 -3.171 4.159 1.00 2.49 C ATOM 151 CD PRO A 71 -21.221 -3.533 2.706 1.00 2.65 C ATOM 0 HA PRO A 71 -18.599 -1.638 2.421 1.00 1.51 H new ATOM 0 HB2 PRO A 71 -18.794 -3.301 4.804 1.00 1.87 H new ATOM 0 HB3 PRO A 71 -19.372 -1.657 4.620 1.00 1.87 H new ATOM 0 HG2 PRO A 71 -20.987 -4.041 4.806 1.00 2.49 H new ATOM 0 HG3 PRO A 71 -21.560 -2.408 4.534 1.00 2.49 H new ATOM 0 HD2 PRO A 71 -21.439 -4.596 2.604 1.00 2.65 H new ATOM 0 HD3 PRO A 71 -22.102 -2.992 2.361 1.00 2.65 H new ATOM 159 N GLU A 72 -17.804 -4.683 2.008 1.00 1.29 N ATOM 160 CA GLU A 72 -16.623 -5.579 1.848 1.00 1.13 C ATOM 161 C GLU A 72 -15.561 -4.871 1.004 1.00 1.00 C ATOM 162 O GLU A 72 -14.396 -4.843 1.352 1.00 0.97 O ATOM 163 CB GLU A 72 -17.051 -6.879 1.160 1.00 1.32 C ATOM 164 CG GLU A 72 -17.320 -6.614 -0.322 1.00 1.94 C ATOM 165 CD GLU A 72 -17.900 -7.875 -0.967 1.00 2.47 C ATOM 166 OE1 GLU A 72 -17.461 -8.955 -0.608 1.00 3.01 O ATOM 167 OE2 GLU A 72 -18.774 -7.739 -1.807 1.00 2.89 O ATOM 0 H GLU A 72 -18.681 -5.045 1.635 1.00 1.29 H new ATOM 0 HA GLU A 72 -16.209 -5.815 2.828 1.00 1.13 H new ATOM 0 HB2 GLU A 72 -16.271 -7.633 1.269 1.00 1.32 H new ATOM 0 HB3 GLU A 72 -17.947 -7.276 1.637 1.00 1.32 H new ATOM 0 HG2 GLU A 72 -18.016 -5.782 -0.434 1.00 1.94 H new ATOM 0 HG3 GLU A 72 -16.397 -6.327 -0.825 1.00 1.94 H new ATOM 174 N ILE A 73 -15.950 -4.292 -0.099 1.00 0.99 N ATOM 175 CA ILE A 73 -14.968 -3.583 -0.953 1.00 0.91 C ATOM 176 C ILE A 73 -14.380 -2.403 -0.177 1.00 0.80 C ATOM 177 O ILE A 73 -13.188 -2.173 -0.186 1.00 0.74 O ATOM 178 CB ILE A 73 -15.681 -3.073 -2.204 1.00 1.03 C ATOM 179 CG1 ILE A 73 -14.643 -2.618 -3.222 1.00 1.05 C ATOM 180 CG2 ILE A 73 -16.586 -1.895 -1.838 1.00 1.28 C ATOM 181 CD1 ILE A 73 -14.072 -3.840 -3.940 1.00 1.48 C ATOM 0 H ILE A 73 -16.910 -4.282 -0.443 1.00 0.99 H new ATOM 0 HA ILE A 73 -14.163 -4.260 -1.239 1.00 0.91 H new ATOM 0 HB ILE A 73 -16.287 -3.873 -2.629 1.00 1.03 H new ATOM 0 HG12 ILE A 73 -15.097 -1.938 -3.942 1.00 1.05 H new ATOM 0 HG13 ILE A 73 -13.844 -2.068 -2.724 1.00 1.05 H new ATOM 0 HG21 ILE A 73 -17.093 -1.534 -2.733 1.00 1.28 H new ATOM 0 HG22 ILE A 73 -17.327 -2.219 -1.107 1.00 1.28 H new ATOM 0 HG23 ILE A 73 -15.984 -1.092 -1.413 1.00 1.28 H new ATOM 0 HD11 ILE A 73 -13.329 -3.519 -4.670 1.00 1.48 H new ATOM 0 HD12 ILE A 73 -13.604 -4.503 -3.213 1.00 1.48 H new ATOM 0 HD13 ILE A 73 -14.876 -4.371 -4.450 1.00 1.48 H new ATOM 193 N THR A 74 -15.208 -1.653 0.494 1.00 0.81 N ATOM 194 CA THR A 74 -14.698 -0.487 1.269 1.00 0.76 C ATOM 195 C THR A 74 -13.586 -0.941 2.218 1.00 0.68 C ATOM 196 O THR A 74 -12.543 -0.326 2.303 1.00 0.62 O ATOM 197 CB THR A 74 -15.841 0.126 2.081 1.00 0.86 C ATOM 198 OG1 THR A 74 -17.083 -0.220 1.482 1.00 1.35 O ATOM 199 CG2 THR A 74 -15.693 1.649 2.109 1.00 1.19 C ATOM 0 H THR A 74 -16.217 -1.797 0.540 1.00 0.81 H new ATOM 0 HA THR A 74 -14.300 0.256 0.578 1.00 0.76 H new ATOM 0 HB THR A 74 -15.808 -0.258 3.101 1.00 0.86 H new ATOM 0 HG1 THR A 74 -17.812 0.235 1.954 1.00 1.35 H new ATOM 0 HG21 THR A 74 -16.508 2.083 2.688 1.00 1.19 H new ATOM 0 HG22 THR A 74 -14.741 1.914 2.568 1.00 1.19 H new ATOM 0 HG23 THR A 74 -15.725 2.036 1.091 1.00 1.19 H new ATOM 207 N LEU A 75 -13.797 -2.012 2.937 1.00 0.72 N ATOM 208 CA LEU A 75 -12.744 -2.486 3.883 1.00 0.69 C ATOM 209 C LEU A 75 -11.543 -3.018 3.101 1.00 0.58 C ATOM 210 O LEU A 75 -10.412 -2.686 3.396 1.00 0.50 O ATOM 211 CB LEU A 75 -13.308 -3.596 4.777 1.00 0.82 C ATOM 212 CG LEU A 75 -12.539 -3.624 6.101 1.00 0.88 C ATOM 213 CD1 LEU A 75 -12.873 -4.908 6.862 1.00 0.87 C ATOM 214 CD2 LEU A 75 -11.036 -3.578 5.821 1.00 1.02 C ATOM 0 H LEU A 75 -14.647 -2.576 2.911 1.00 0.72 H new ATOM 0 HA LEU A 75 -12.425 -1.650 4.506 1.00 0.69 H new ATOM 0 HB2 LEU A 75 -14.368 -3.424 4.963 1.00 0.82 H new ATOM 0 HB3 LEU A 75 -13.225 -4.560 4.275 1.00 0.82 H new ATOM 0 HG LEU A 75 -12.825 -2.760 6.701 1.00 0.88 H new ATOM 0 HD11 LEU A 75 -12.325 -4.926 7.804 1.00 0.87 H new ATOM 0 HD12 LEU A 75 -13.943 -4.943 7.065 1.00 0.87 H new ATOM 0 HD13 LEU A 75 -12.589 -5.772 6.261 1.00 0.87 H new ATOM 0 HD21 LEU A 75 -10.489 -3.598 6.764 1.00 1.02 H new ATOM 0 HD22 LEU A 75 -10.752 -4.441 5.218 1.00 1.02 H new ATOM 0 HD23 LEU A 75 -10.794 -2.663 5.281 1.00 1.02 H new ATOM 226 N ILE A 76 -11.764 -3.837 2.110 1.00 0.62 N ATOM 227 CA ILE A 76 -10.608 -4.365 1.336 1.00 0.57 C ATOM 228 C ILE A 76 -9.813 -3.186 0.774 1.00 0.45 C ATOM 229 O ILE A 76 -8.607 -3.118 0.907 1.00 0.38 O ATOM 230 CB ILE A 76 -11.122 -5.242 0.194 1.00 0.69 C ATOM 231 CG1 ILE A 76 -11.973 -6.370 0.779 1.00 0.91 C ATOM 232 CG2 ILE A 76 -9.938 -5.838 -0.568 1.00 0.76 C ATOM 233 CD1 ILE A 76 -12.804 -7.010 -0.329 1.00 1.10 C ATOM 0 H ILE A 76 -12.683 -4.160 1.806 1.00 0.62 H new ATOM 0 HA ILE A 76 -9.965 -4.964 1.981 1.00 0.57 H new ATOM 0 HB ILE A 76 -11.722 -4.642 -0.490 1.00 0.69 H new ATOM 0 HG12 ILE A 76 -11.332 -7.118 1.246 1.00 0.91 H new ATOM 0 HG13 ILE A 76 -12.627 -5.979 1.559 1.00 0.91 H new ATOM 0 HG21 ILE A 76 -10.306 -6.463 -1.382 1.00 0.76 H new ATOM 0 HG22 ILE A 76 -9.326 -5.034 -0.977 1.00 0.76 H new ATOM 0 HG23 ILE A 76 -9.336 -6.443 0.110 1.00 0.76 H new ATOM 0 HD11 ILE A 76 -13.410 -7.814 0.089 1.00 1.10 H new ATOM 0 HD12 ILE A 76 -13.455 -6.259 -0.775 1.00 1.10 H new ATOM 0 HD13 ILE A 76 -12.141 -7.415 -1.093 1.00 1.10 H new ATOM 245 N ILE A 77 -10.484 -2.240 0.175 1.00 0.44 N ATOM 246 CA ILE A 77 -9.768 -1.050 -0.359 1.00 0.36 C ATOM 247 C ILE A 77 -9.012 -0.384 0.796 1.00 0.28 C ATOM 248 O ILE A 77 -7.850 -0.046 0.682 1.00 0.25 O ATOM 249 CB ILE A 77 -10.788 -0.074 -0.972 1.00 0.39 C ATOM 250 CG1 ILE A 77 -11.074 -0.474 -2.426 1.00 1.21 C ATOM 251 CG2 ILE A 77 -10.235 1.355 -0.952 1.00 1.18 C ATOM 252 CD1 ILE A 77 -11.242 -1.994 -2.527 1.00 1.58 C ATOM 0 H ILE A 77 -11.494 -2.241 0.033 1.00 0.44 H new ATOM 0 HA ILE A 77 -9.061 -1.342 -1.135 1.00 0.36 H new ATOM 0 HB ILE A 77 -11.705 -0.115 -0.385 1.00 0.39 H new ATOM 0 HG12 ILE A 77 -11.977 0.024 -2.778 1.00 1.21 H new ATOM 0 HG13 ILE A 77 -10.258 -0.146 -3.070 1.00 1.21 H new ATOM 0 HG21 ILE A 77 -10.967 2.035 -1.389 1.00 1.18 H new ATOM 0 HG22 ILE A 77 -10.032 1.652 0.077 1.00 1.18 H new ATOM 0 HG23 ILE A 77 -9.312 1.396 -1.530 1.00 1.18 H new ATOM 0 HD11 ILE A 77 -11.445 -2.270 -3.562 1.00 1.58 H new ATOM 0 HD12 ILE A 77 -10.327 -2.484 -2.193 1.00 1.58 H new ATOM 0 HD13 ILE A 77 -12.074 -2.311 -1.898 1.00 1.58 H new ATOM 264 N PHE A 78 -9.674 -0.195 1.907 1.00 0.31 N ATOM 265 CA PHE A 78 -9.009 0.452 3.077 1.00 0.32 C ATOM 266 C PHE A 78 -7.764 -0.342 3.470 1.00 0.30 C ATOM 267 O PHE A 78 -6.707 0.216 3.683 1.00 0.30 O ATOM 268 CB PHE A 78 -9.973 0.502 4.269 1.00 0.41 C ATOM 269 CG PHE A 78 -10.520 1.901 4.415 1.00 0.80 C ATOM 270 CD1 PHE A 78 -9.769 2.880 5.076 1.00 1.52 C ATOM 271 CD2 PHE A 78 -11.779 2.219 3.891 1.00 1.66 C ATOM 272 CE1 PHE A 78 -10.275 4.178 5.213 1.00 1.97 C ATOM 273 CE2 PHE A 78 -12.286 3.517 4.028 1.00 2.09 C ATOM 274 CZ PHE A 78 -11.534 4.496 4.690 1.00 1.95 C ATOM 0 H PHE A 78 -10.648 -0.461 2.055 1.00 0.31 H new ATOM 0 HA PHE A 78 -8.723 1.467 2.800 1.00 0.32 H new ATOM 0 HB2 PHE A 78 -10.789 -0.205 4.121 1.00 0.41 H new ATOM 0 HB3 PHE A 78 -9.456 0.205 5.181 1.00 0.41 H new ATOM 0 HD1 PHE A 78 -8.798 2.634 5.481 1.00 1.52 H new ATOM 0 HD2 PHE A 78 -12.359 1.464 3.381 1.00 1.66 H new ATOM 0 HE1 PHE A 78 -9.695 4.933 5.722 1.00 1.97 H new ATOM 0 HE2 PHE A 78 -13.257 3.763 3.623 1.00 2.09 H new ATOM 0 HZ PHE A 78 -11.926 5.497 4.797 1.00 1.95 H new ATOM 284 N GLY A 79 -7.872 -1.640 3.575 1.00 0.31 N ATOM 285 CA GLY A 79 -6.680 -2.445 3.961 1.00 0.32 C ATOM 286 C GLY A 79 -5.552 -2.180 2.966 1.00 0.26 C ATOM 287 O GLY A 79 -4.425 -1.928 3.345 1.00 0.26 O ATOM 0 H GLY A 79 -8.727 -2.172 3.412 1.00 0.31 H new ATOM 0 HA2 GLY A 79 -6.360 -2.183 4.970 1.00 0.32 H new ATOM 0 HA3 GLY A 79 -6.930 -3.506 3.971 1.00 0.32 H new ATOM 291 N VAL A 80 -5.845 -2.222 1.694 1.00 0.23 N ATOM 292 CA VAL A 80 -4.783 -1.958 0.685 1.00 0.22 C ATOM 293 C VAL A 80 -4.182 -0.573 0.936 1.00 0.21 C ATOM 294 O VAL A 80 -2.978 -0.403 0.980 1.00 0.22 O ATOM 295 CB VAL A 80 -5.392 -2.019 -0.717 1.00 0.24 C ATOM 296 CG1 VAL A 80 -4.293 -1.816 -1.762 1.00 0.28 C ATOM 297 CG2 VAL A 80 -6.048 -3.388 -0.925 1.00 0.28 C ATOM 0 H VAL A 80 -6.769 -2.427 1.313 1.00 0.23 H new ATOM 0 HA VAL A 80 -3.998 -2.709 0.767 1.00 0.22 H new ATOM 0 HB VAL A 80 -6.141 -1.234 -0.823 1.00 0.24 H new ATOM 0 HG11 VAL A 80 -4.728 -1.860 -2.761 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -3.824 -0.843 -1.613 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -3.543 -2.600 -1.658 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -6.483 -3.435 -1.923 1.00 0.28 H new ATOM 0 HG22 VAL A 80 -5.297 -4.171 -0.819 1.00 0.28 H new ATOM 0 HG23 VAL A 80 -6.831 -3.533 -0.181 1.00 0.28 H new ATOM 307 N MET A 81 -5.015 0.417 1.120 1.00 0.22 N ATOM 308 CA MET A 81 -4.496 1.788 1.387 1.00 0.25 C ATOM 309 C MET A 81 -3.605 1.758 2.628 1.00 0.27 C ATOM 310 O MET A 81 -2.514 2.294 2.639 1.00 0.28 O ATOM 311 CB MET A 81 -5.672 2.737 1.627 1.00 0.29 C ATOM 312 CG MET A 81 -6.389 3.010 0.304 1.00 0.36 C ATOM 313 SD MET A 81 -7.941 3.882 0.627 1.00 1.07 S ATOM 314 CE MET A 81 -7.220 5.339 1.423 1.00 1.70 C ATOM 0 H MET A 81 -6.031 0.334 1.097 1.00 0.22 H new ATOM 0 HA MET A 81 -3.917 2.134 0.531 1.00 0.25 H new ATOM 0 HB2 MET A 81 -6.366 2.299 2.344 1.00 0.29 H new ATOM 0 HB3 MET A 81 -5.316 3.672 2.059 1.00 0.29 H new ATOM 0 HG2 MET A 81 -5.753 3.607 -0.350 1.00 0.36 H new ATOM 0 HG3 MET A 81 -6.588 2.072 -0.214 1.00 0.36 H new ATOM 0 HE1 MET A 81 -7.844 6.210 1.222 1.00 1.70 H new ATOM 0 HE2 MET A 81 -7.162 5.175 2.499 1.00 1.70 H new ATOM 0 HE3 MET A 81 -6.219 5.511 1.028 1.00 1.70 H new ATOM 324 N ALA A 82 -4.068 1.135 3.677 1.00 0.28 N ATOM 325 CA ALA A 82 -3.262 1.064 4.926 1.00 0.32 C ATOM 326 C ALA A 82 -1.902 0.418 4.633 1.00 0.30 C ATOM 327 O ALA A 82 -0.876 0.909 5.061 1.00 0.30 O ATOM 328 CB ALA A 82 -4.017 0.265 5.999 1.00 0.37 C ATOM 0 H ALA A 82 -4.975 0.670 3.722 1.00 0.28 H new ATOM 0 HA ALA A 82 -3.096 2.074 5.301 1.00 0.32 H new ATOM 0 HB1 ALA A 82 -3.417 0.220 6.908 1.00 0.37 H new ATOM 0 HB2 ALA A 82 -4.967 0.753 6.215 1.00 0.37 H new ATOM 0 HB3 ALA A 82 -4.203 -0.746 5.636 1.00 0.37 H new ATOM 334 N GLY A 83 -1.875 -0.680 3.916 1.00 0.28 N ATOM 335 CA GLY A 83 -0.568 -1.331 3.624 1.00 0.27 C ATOM 336 C GLY A 83 0.354 -0.334 2.923 1.00 0.23 C ATOM 337 O GLY A 83 1.504 -0.179 3.285 1.00 0.23 O ATOM 0 H GLY A 83 -2.694 -1.146 3.526 1.00 0.28 H new ATOM 0 HA2 GLY A 83 -0.108 -1.679 4.549 1.00 0.27 H new ATOM 0 HA3 GLY A 83 -0.719 -2.208 2.994 1.00 0.27 H new ATOM 341 N VAL A 84 -0.137 0.349 1.925 1.00 0.21 N ATOM 342 CA VAL A 84 0.725 1.336 1.217 1.00 0.19 C ATOM 343 C VAL A 84 1.254 2.366 2.221 1.00 0.20 C ATOM 344 O VAL A 84 2.430 2.675 2.244 1.00 0.19 O ATOM 345 CB VAL A 84 -0.092 2.049 0.138 1.00 0.22 C ATOM 346 CG1 VAL A 84 0.741 3.177 -0.473 1.00 0.28 C ATOM 347 CG2 VAL A 84 -0.472 1.048 -0.958 1.00 0.27 C ATOM 0 H VAL A 84 -1.090 0.267 1.572 1.00 0.21 H new ATOM 0 HA VAL A 84 1.563 0.817 0.753 1.00 0.19 H new ATOM 0 HB VAL A 84 -0.996 2.465 0.583 1.00 0.22 H new ATOM 0 HG11 VAL A 84 0.158 3.684 -1.242 1.00 0.28 H new ATOM 0 HG12 VAL A 84 1.014 3.890 0.305 1.00 0.28 H new ATOM 0 HG13 VAL A 84 1.645 2.762 -0.918 1.00 0.28 H new ATOM 0 HG21 VAL A 84 -1.054 1.555 -1.728 1.00 0.27 H new ATOM 0 HG22 VAL A 84 0.433 0.633 -1.402 1.00 0.27 H new ATOM 0 HG23 VAL A 84 -1.066 0.243 -0.525 1.00 0.27 H new ATOM 357 N ILE A 85 0.396 2.901 3.049 1.00 0.23 N ATOM 358 CA ILE A 85 0.850 3.911 4.048 1.00 0.27 C ATOM 359 C ILE A 85 1.955 3.319 4.930 1.00 0.27 C ATOM 360 O ILE A 85 2.977 3.936 5.157 1.00 0.28 O ATOM 361 CB ILE A 85 -0.332 4.322 4.926 1.00 0.33 C ATOM 362 CG1 ILE A 85 -1.359 5.075 4.077 1.00 0.67 C ATOM 363 CG2 ILE A 85 0.161 5.232 6.053 1.00 0.75 C ATOM 364 CD1 ILE A 85 -0.738 6.369 3.550 1.00 1.20 C ATOM 0 H ILE A 85 -0.600 2.682 3.076 1.00 0.23 H new ATOM 0 HA ILE A 85 1.241 4.782 3.522 1.00 0.27 H new ATOM 0 HB ILE A 85 -0.794 3.432 5.353 1.00 0.33 H new ATOM 0 HG12 ILE A 85 -1.686 4.451 3.245 1.00 0.67 H new ATOM 0 HG13 ILE A 85 -2.243 5.300 4.673 1.00 0.67 H new ATOM 0 HG21 ILE A 85 -0.682 5.525 6.679 1.00 0.75 H new ATOM 0 HG22 ILE A 85 0.894 4.698 6.658 1.00 0.75 H new ATOM 0 HG23 ILE A 85 0.623 6.122 5.626 1.00 0.75 H new ATOM 0 HD11 ILE A 85 -1.470 6.904 2.946 1.00 1.20 H new ATOM 0 HD12 ILE A 85 -0.433 6.994 4.389 1.00 1.20 H new ATOM 0 HD13 ILE A 85 0.133 6.132 2.939 1.00 1.20 H new ATOM 376 N GLY A 86 1.757 2.130 5.435 1.00 0.29 N ATOM 377 CA GLY A 86 2.796 1.510 6.306 1.00 0.33 C ATOM 378 C GLY A 86 4.119 1.428 5.548 1.00 0.30 C ATOM 379 O GLY A 86 5.163 1.787 6.059 1.00 0.33 O ATOM 0 H GLY A 86 0.923 1.563 5.282 1.00 0.29 H new ATOM 0 HA2 GLY A 86 2.922 2.099 7.214 1.00 0.33 H new ATOM 0 HA3 GLY A 86 2.479 0.513 6.614 1.00 0.33 H new ATOM 383 N THR A 87 4.089 0.960 4.331 1.00 0.25 N ATOM 384 CA THR A 87 5.347 0.858 3.543 1.00 0.25 C ATOM 385 C THR A 87 6.005 2.236 3.449 1.00 0.26 C ATOM 386 O THR A 87 7.192 2.383 3.663 1.00 0.32 O ATOM 387 CB THR A 87 5.032 0.345 2.138 1.00 0.24 C ATOM 388 OG1 THR A 87 4.445 -0.947 2.229 1.00 0.34 O ATOM 389 CG2 THR A 87 6.324 0.268 1.321 1.00 0.31 C ATOM 0 H THR A 87 3.247 0.644 3.849 1.00 0.25 H new ATOM 0 HA THR A 87 6.027 0.164 4.037 1.00 0.25 H new ATOM 0 HB THR A 87 4.336 1.025 1.647 1.00 0.24 H new ATOM 0 HG1 THR A 87 3.533 -0.868 2.579 1.00 0.34 H new ATOM 0 HG21 THR A 87 6.100 -0.098 0.319 1.00 0.31 H new ATOM 0 HG22 THR A 87 6.771 1.260 1.254 1.00 0.31 H new ATOM 0 HG23 THR A 87 7.022 -0.413 1.808 1.00 0.31 H new ATOM 397 N ILE A 88 5.245 3.247 3.125 1.00 0.24 N ATOM 398 CA ILE A 88 5.833 4.612 3.014 1.00 0.33 C ATOM 399 C ILE A 88 6.504 4.989 4.336 1.00 0.39 C ATOM 400 O ILE A 88 7.624 5.460 4.362 1.00 0.47 O ATOM 401 CB ILE A 88 4.728 5.620 2.698 1.00 0.37 C ATOM 402 CG1 ILE A 88 4.227 5.393 1.270 1.00 0.39 C ATOM 403 CG2 ILE A 88 5.282 7.041 2.824 1.00 0.47 C ATOM 404 CD1 ILE A 88 3.073 6.354 0.974 1.00 0.49 C ATOM 0 H ILE A 88 4.245 3.187 2.933 1.00 0.24 H new ATOM 0 HA ILE A 88 6.574 4.623 2.215 1.00 0.33 H new ATOM 0 HB ILE A 88 3.904 5.489 3.399 1.00 0.37 H new ATOM 0 HG12 ILE A 88 5.038 5.552 0.559 1.00 0.39 H new ATOM 0 HG13 ILE A 88 3.895 4.362 1.149 1.00 0.39 H new ATOM 0 HG21 ILE A 88 4.494 7.760 2.599 1.00 0.47 H new ATOM 0 HG22 ILE A 88 5.641 7.203 3.840 1.00 0.47 H new ATOM 0 HG23 ILE A 88 6.106 7.174 2.123 1.00 0.47 H new ATOM 0 HD11 ILE A 88 2.716 6.192 -0.043 1.00 0.49 H new ATOM 0 HD12 ILE A 88 2.260 6.173 1.677 1.00 0.49 H new ATOM 0 HD13 ILE A 88 3.420 7.382 1.077 1.00 0.49 H new ATOM 416 N LEU A 89 5.833 4.780 5.437 1.00 0.39 N ATOM 417 CA LEU A 89 6.442 5.122 6.751 1.00 0.49 C ATOM 418 C LEU A 89 7.767 4.364 6.901 1.00 0.53 C ATOM 419 O LEU A 89 8.775 4.926 7.281 1.00 0.62 O ATOM 420 CB LEU A 89 5.450 4.783 7.890 1.00 0.53 C ATOM 421 CG LEU A 89 5.803 3.458 8.583 1.00 0.59 C ATOM 422 CD1 LEU A 89 7.019 3.658 9.490 1.00 0.68 C ATOM 423 CD2 LEU A 89 4.614 2.999 9.430 1.00 0.65 C ATOM 0 H LEU A 89 4.892 4.388 5.482 1.00 0.39 H new ATOM 0 HA LEU A 89 6.653 6.190 6.807 1.00 0.49 H new ATOM 0 HB2 LEU A 89 5.452 5.588 8.624 1.00 0.53 H new ATOM 0 HB3 LEU A 89 4.440 4.723 7.485 1.00 0.53 H new ATOM 0 HG LEU A 89 6.033 2.706 7.829 1.00 0.59 H new ATOM 0 HD11 LEU A 89 7.266 2.716 9.980 1.00 0.68 H new ATOM 0 HD12 LEU A 89 7.868 3.990 8.892 1.00 0.68 H new ATOM 0 HD13 LEU A 89 6.790 4.410 10.245 1.00 0.68 H new ATOM 0 HD21 LEU A 89 4.860 2.059 9.924 1.00 0.65 H new ATOM 0 HD22 LEU A 89 4.389 3.756 10.182 1.00 0.65 H new ATOM 0 HD23 LEU A 89 3.744 2.855 8.789 1.00 0.65 H new ATOM 435 N LEU A 90 7.770 3.095 6.599 1.00 0.49 N ATOM 436 CA LEU A 90 9.028 2.301 6.719 1.00 0.57 C ATOM 437 C LEU A 90 10.119 2.942 5.860 1.00 0.60 C ATOM 438 O LEU A 90 11.238 3.125 6.298 1.00 0.71 O ATOM 439 CB LEU A 90 8.771 0.872 6.238 1.00 0.56 C ATOM 440 CG LEU A 90 7.643 0.250 7.066 1.00 1.24 C ATOM 441 CD1 LEU A 90 6.907 -0.799 6.231 1.00 1.76 C ATOM 442 CD2 LEU A 90 8.231 -0.414 8.313 1.00 1.92 C ATOM 0 H LEU A 90 6.956 2.572 6.274 1.00 0.49 H new ATOM 0 HA LEU A 90 9.352 2.283 7.760 1.00 0.57 H new ATOM 0 HB2 LEU A 90 8.502 0.875 5.182 1.00 0.56 H new ATOM 0 HB3 LEU A 90 9.678 0.276 6.334 1.00 0.56 H new ATOM 0 HG LEU A 90 6.943 1.031 7.363 1.00 1.24 H new ATOM 0 HD11 LEU A 90 6.105 -1.239 6.824 1.00 1.76 H new ATOM 0 HD12 LEU A 90 6.485 -0.327 5.344 1.00 1.76 H new ATOM 0 HD13 LEU A 90 7.606 -1.580 5.929 1.00 1.76 H new ATOM 0 HD21 LEU A 90 7.428 -0.857 8.902 1.00 1.92 H new ATOM 0 HD22 LEU A 90 8.933 -1.192 8.014 1.00 1.92 H new ATOM 0 HD23 LEU A 90 8.751 0.333 8.912 1.00 1.92 H new ATOM 454 N ILE A 91 9.807 3.281 4.640 1.00 0.55 N ATOM 455 CA ILE A 91 10.833 3.906 3.759 1.00 0.65 C ATOM 456 C ILE A 91 11.379 5.164 4.428 1.00 0.75 C ATOM 457 O ILE A 91 12.575 5.368 4.494 1.00 0.87 O ATOM 458 CB ILE A 91 10.199 4.277 2.418 1.00 0.63 C ATOM 459 CG1 ILE A 91 9.708 3.008 1.718 1.00 0.58 C ATOM 460 CG2 ILE A 91 11.238 4.973 1.538 1.00 0.75 C ATOM 461 CD1 ILE A 91 8.787 3.391 0.559 1.00 0.66 C ATOM 0 H ILE A 91 8.888 3.153 4.216 1.00 0.55 H new ATOM 0 HA ILE A 91 11.646 3.200 3.592 1.00 0.65 H new ATOM 0 HB ILE A 91 9.357 4.948 2.588 1.00 0.63 H new ATOM 0 HG12 ILE A 91 10.556 2.432 1.348 1.00 0.58 H new ATOM 0 HG13 ILE A 91 9.175 2.372 2.425 1.00 0.58 H new ATOM 0 HG21 ILE A 91 10.786 5.238 0.582 1.00 0.75 H new ATOM 0 HG22 ILE A 91 11.590 5.877 2.036 1.00 0.75 H new ATOM 0 HG23 ILE A 91 12.080 4.301 1.368 1.00 0.75 H new ATOM 0 HD11 ILE A 91 8.436 2.488 0.059 1.00 0.66 H new ATOM 0 HD12 ILE A 91 7.933 3.949 0.942 1.00 0.66 H new ATOM 0 HD13 ILE A 91 9.335 4.010 -0.152 1.00 0.66 H new ATOM 473 N SER A 92 10.525 6.009 4.935 1.00 0.73 N ATOM 474 CA SER A 92 11.036 7.235 5.600 1.00 0.87 C ATOM 475 C SER A 92 11.982 6.818 6.723 1.00 0.94 C ATOM 476 O SER A 92 13.078 7.325 6.848 1.00 1.07 O ATOM 477 CB SER A 92 9.865 8.030 6.181 1.00 0.86 C ATOM 478 OG SER A 92 8.752 7.934 5.303 1.00 1.29 O ATOM 0 H SER A 92 9.510 5.905 4.918 1.00 0.73 H new ATOM 0 HA SER A 92 11.564 7.860 4.880 1.00 0.87 H new ATOM 0 HB2 SER A 92 9.601 7.644 7.165 1.00 0.86 H new ATOM 0 HB3 SER A 92 10.149 9.074 6.314 1.00 0.86 H new ATOM 0 HG SER A 92 7.999 8.441 5.673 1.00 1.29 H new ATOM 484 N TYR A 93 11.576 5.882 7.537 1.00 0.89 N ATOM 485 CA TYR A 93 12.469 5.424 8.636 1.00 1.00 C ATOM 486 C TYR A 93 13.792 4.921 8.048 1.00 1.05 C ATOM 487 O TYR A 93 14.861 5.269 8.510 1.00 1.18 O ATOM 488 CB TYR A 93 11.793 4.296 9.416 1.00 0.96 C ATOM 489 CG TYR A 93 11.679 4.693 10.869 1.00 1.27 C ATOM 490 CD1 TYR A 93 12.829 5.036 11.591 1.00 2.13 C ATOM 491 CD2 TYR A 93 10.427 4.722 11.493 1.00 1.62 C ATOM 492 CE1 TYR A 93 12.727 5.407 12.937 1.00 2.53 C ATOM 493 CE2 TYR A 93 10.324 5.093 12.840 1.00 1.95 C ATOM 494 CZ TYR A 93 11.474 5.434 13.562 1.00 2.15 C ATOM 495 OH TYR A 93 11.372 5.800 14.889 1.00 2.64 O ATOM 0 H TYR A 93 10.669 5.417 7.488 1.00 0.89 H new ATOM 0 HA TYR A 93 12.666 6.258 9.309 1.00 1.00 H new ATOM 0 HB2 TYR A 93 10.804 4.095 9.003 1.00 0.96 H new ATOM 0 HB3 TYR A 93 12.371 3.376 9.322 1.00 0.96 H new ATOM 0 HD1 TYR A 93 13.795 5.014 11.109 1.00 2.13 H new ATOM 0 HD2 TYR A 93 9.540 4.458 10.936 1.00 1.62 H new ATOM 0 HE1 TYR A 93 13.614 5.672 13.493 1.00 2.53 H new ATOM 0 HE2 TYR A 93 9.358 5.116 13.321 1.00 1.95 H new ATOM 0 HH TYR A 93 10.433 5.767 15.166 1.00 2.64 H new ATOM 505 N GLY A 94 13.727 4.098 7.030 1.00 0.97 N ATOM 506 CA GLY A 94 14.978 3.567 6.415 1.00 1.05 C ATOM 507 C GLY A 94 15.864 4.720 5.944 1.00 1.16 C ATOM 508 O GLY A 94 17.050 4.748 6.206 1.00 1.29 O ATOM 0 H GLY A 94 12.861 3.773 6.600 1.00 0.97 H new ATOM 0 HA2 GLY A 94 15.517 2.956 7.139 1.00 1.05 H new ATOM 0 HA3 GLY A 94 14.732 2.920 5.573 1.00 1.05 H new ATOM 512 N ILE A 95 15.303 5.675 5.252 1.00 1.14 N ATOM 513 CA ILE A 95 16.135 6.820 4.774 1.00 1.29 C ATOM 514 C ILE A 95 16.808 7.485 5.980 1.00 1.41 C ATOM 515 O ILE A 95 17.990 7.762 5.972 1.00 1.55 O ATOM 516 CB ILE A 95 15.265 7.831 3.998 1.00 1.28 C ATOM 517 CG1 ILE A 95 16.076 8.392 2.828 1.00 1.74 C ATOM 518 CG2 ILE A 95 14.826 8.991 4.902 1.00 1.77 C ATOM 519 CD1 ILE A 95 16.046 7.401 1.664 1.00 2.19 C ATOM 0 H ILE A 95 14.316 5.714 4.998 1.00 1.14 H new ATOM 0 HA ILE A 95 16.904 6.456 4.093 1.00 1.29 H new ATOM 0 HB ILE A 95 14.375 7.316 3.637 1.00 1.28 H new ATOM 0 HG12 ILE A 95 15.665 9.351 2.513 1.00 1.74 H new ATOM 0 HG13 ILE A 95 17.105 8.573 3.139 1.00 1.74 H new ATOM 0 HG21 ILE A 95 14.214 9.688 4.329 1.00 1.77 H new ATOM 0 HG22 ILE A 95 14.245 8.601 5.738 1.00 1.77 H new ATOM 0 HG23 ILE A 95 15.706 9.509 5.282 1.00 1.77 H new ATOM 0 HD11 ILE A 95 16.624 7.801 0.831 1.00 2.19 H new ATOM 0 HD12 ILE A 95 16.478 6.452 1.983 1.00 2.19 H new ATOM 0 HD13 ILE A 95 15.015 7.242 1.348 1.00 2.19 H new ATOM 531 N ARG A 96 16.056 7.739 7.018 1.00 1.37 N ATOM 532 CA ARG A 96 16.643 8.383 8.226 1.00 1.51 C ATOM 533 C ARG A 96 17.807 7.532 8.737 1.00 1.58 C ATOM 534 O ARG A 96 18.871 8.032 9.041 1.00 1.73 O ATOM 535 CB ARG A 96 15.573 8.494 9.314 1.00 1.46 C ATOM 536 CG ARG A 96 14.532 9.536 8.900 1.00 1.73 C ATOM 537 CD ARG A 96 13.151 9.099 9.389 1.00 2.03 C ATOM 538 NE ARG A 96 13.187 8.899 10.865 1.00 2.00 N ATOM 539 CZ ARG A 96 12.073 8.817 11.542 1.00 2.45 C ATOM 540 NH1 ARG A 96 10.992 8.366 10.966 1.00 2.76 N ATOM 541 NH2 ARG A 96 12.041 9.186 12.793 1.00 3.14 N ATOM 0 H ARG A 96 15.060 7.528 7.080 1.00 1.37 H new ATOM 0 HA ARG A 96 17.005 9.379 7.971 1.00 1.51 H new ATOM 0 HB2 ARG A 96 15.094 7.527 9.468 1.00 1.46 H new ATOM 0 HB3 ARG A 96 16.031 8.778 10.262 1.00 1.46 H new ATOM 0 HG2 ARG A 96 14.788 10.508 9.321 1.00 1.73 H new ATOM 0 HG3 ARG A 96 14.527 9.649 7.816 1.00 1.73 H new ATOM 0 HD2 ARG A 96 12.407 9.853 9.131 1.00 2.03 H new ATOM 0 HD3 ARG A 96 12.853 8.175 8.893 1.00 2.03 H new ATOM 0 HE ARG A 96 14.083 8.826 11.347 1.00 2.00 H new ATOM 0 HH11 ARG A 96 11.018 8.078 9.988 1.00 2.76 H new ATOM 0 HH12 ARG A 96 10.122 8.302 11.494 1.00 2.76 H new ATOM 0 HH21 ARG A 96 12.886 9.539 13.242 1.00 3.14 H new ATOM 0 HH22 ARG A 96 11.171 9.122 13.322 1.00 3.14 H new ATOM 555 N ARG A 97 17.618 6.248 8.842 1.00 1.50 N ATOM 556 CA ARG A 97 18.727 5.386 9.334 1.00 1.59 C ATOM 557 C ARG A 97 19.951 5.570 8.433 1.00 1.69 C ATOM 558 O ARG A 97 21.057 5.748 8.904 1.00 1.84 O ATOM 559 CB ARG A 97 18.296 3.914 9.328 1.00 1.50 C ATOM 560 CG ARG A 97 17.643 3.566 10.669 1.00 1.77 C ATOM 561 CD ARG A 97 16.141 3.846 10.595 1.00 2.23 C ATOM 562 NE ARG A 97 15.471 3.319 11.821 1.00 2.70 N ATOM 563 CZ ARG A 97 15.872 2.198 12.358 1.00 3.07 C ATOM 564 NH1 ARG A 97 15.416 1.060 11.909 1.00 3.56 N ATOM 565 NH2 ARG A 97 16.724 2.214 13.346 1.00 3.58 N ATOM 0 H ARG A 97 16.752 5.761 8.611 1.00 1.50 H new ATOM 0 HA ARG A 97 18.978 5.674 10.355 1.00 1.59 H new ATOM 0 HB2 ARG A 97 17.596 3.733 8.513 1.00 1.50 H new ATOM 0 HB3 ARG A 97 19.160 3.272 9.155 1.00 1.50 H new ATOM 0 HG2 ARG A 97 17.816 2.517 10.908 1.00 1.77 H new ATOM 0 HG3 ARG A 97 18.094 4.154 11.468 1.00 1.77 H new ATOM 0 HD2 ARG A 97 15.965 4.918 10.505 1.00 2.23 H new ATOM 0 HD3 ARG A 97 15.717 3.377 9.707 1.00 2.23 H new ATOM 0 HE ARG A 97 14.698 3.836 12.240 1.00 2.70 H new ATOM 0 HH11 ARG A 97 14.747 1.047 11.139 1.00 3.56 H new ATOM 0 HH12 ARG A 97 15.729 0.184 12.328 1.00 3.56 H new ATOM 0 HH21 ARG A 97 17.078 3.103 13.700 1.00 3.58 H new ATOM 0 HH22 ARG A 97 17.036 1.338 13.764 1.00 3.58 H new ATOM 579 N LEU A 98 19.764 5.531 7.141 1.00 1.64 N ATOM 580 CA LEU A 98 20.920 5.709 6.218 1.00 1.75 C ATOM 581 C LEU A 98 21.602 7.045 6.520 1.00 1.91 C ATOM 582 O LEU A 98 22.809 7.126 6.638 1.00 2.05 O ATOM 583 CB LEU A 98 20.421 5.704 4.771 1.00 1.69 C ATOM 584 CG LEU A 98 20.930 4.450 4.060 1.00 2.11 C ATOM 585 CD1 LEU A 98 19.743 3.643 3.530 1.00 2.66 C ATOM 586 CD2 LEU A 98 21.829 4.857 2.889 1.00 2.38 C ATOM 0 H LEU A 98 18.863 5.384 6.686 1.00 1.64 H new ATOM 0 HA LEU A 98 21.632 4.895 6.357 1.00 1.75 H new ATOM 0 HB2 LEU A 98 19.331 5.729 4.751 1.00 1.69 H new ATOM 0 HB3 LEU A 98 20.770 6.596 4.252 1.00 1.69 H new ATOM 0 HG LEU A 98 21.498 3.842 4.764 1.00 2.11 H new ATOM 0 HD11 LEU A 98 20.108 2.749 3.023 1.00 2.66 H new ATOM 0 HD12 LEU A 98 19.101 3.352 4.361 1.00 2.66 H new ATOM 0 HD13 LEU A 98 19.174 4.252 2.827 1.00 2.66 H new ATOM 0 HD21 LEU A 98 22.192 3.963 2.382 1.00 2.38 H new ATOM 0 HD22 LEU A 98 21.259 5.466 2.187 1.00 2.38 H new ATOM 0 HD23 LEU A 98 22.676 5.431 3.263 1.00 2.38 H new ATOM 598 N ILE A 99 20.835 8.092 6.651 1.00 1.90 N ATOM 599 CA ILE A 99 21.434 9.426 6.954 1.00 2.06 C ATOM 600 C ILE A 99 21.682 9.539 8.464 1.00 2.14 C ATOM 601 O ILE A 99 22.621 8.973 8.987 1.00 2.20 O ATOM 602 CB ILE A 99 20.486 10.541 6.492 1.00 2.05 C ATOM 603 CG1 ILE A 99 19.034 10.131 6.760 1.00 1.98 C ATOM 604 CG2 ILE A 99 20.678 10.789 4.995 1.00 2.03 C ATOM 605 CD1 ILE A 99 18.245 11.336 7.280 1.00 2.00 C ATOM 0 H ILE A 99 19.819 8.083 6.562 1.00 1.90 H new ATOM 0 HA ILE A 99 22.381 9.529 6.424 1.00 2.06 H new ATOM 0 HB ILE A 99 20.710 11.454 7.044 1.00 2.05 H new ATOM 0 HG12 ILE A 99 18.578 9.753 5.845 1.00 1.98 H new ATOM 0 HG13 ILE A 99 19.003 9.322 7.489 1.00 1.98 H new ATOM 0 HG21 ILE A 99 20.004 11.581 4.668 1.00 2.03 H new ATOM 0 HG22 ILE A 99 21.709 11.088 4.805 1.00 2.03 H new ATOM 0 HG23 ILE A 99 20.458 9.875 4.444 1.00 2.03 H new ATOM 0 HD11 ILE A 99 17.213 11.041 7.469 1.00 2.00 H new ATOM 0 HD12 ILE A 99 18.696 11.694 8.206 1.00 2.00 H new ATOM 0 HD13 ILE A 99 18.264 12.132 6.536 1.00 2.00 H new ATOM 617 N LYS A 100 20.851 10.259 9.174 1.00 2.35 N ATOM 618 CA LYS A 100 21.049 10.393 10.644 1.00 2.45 C ATOM 619 C LYS A 100 22.508 10.748 10.940 1.00 2.85 C ATOM 620 O LYS A 100 23.048 10.385 11.965 1.00 3.21 O ATOM 621 CB LYS A 100 20.694 9.069 11.327 1.00 2.30 C ATOM 622 CG LYS A 100 20.760 9.232 12.850 1.00 2.60 C ATOM 623 CD LYS A 100 20.116 10.559 13.259 1.00 2.94 C ATOM 624 CE LYS A 100 19.886 10.569 14.771 1.00 3.56 C ATOM 625 NZ LYS A 100 18.456 10.879 15.055 1.00 3.91 N ATOM 0 H LYS A 100 20.045 10.758 8.797 1.00 2.35 H new ATOM 0 HA LYS A 100 20.404 11.185 11.025 1.00 2.45 H new ATOM 0 HB2 LYS A 100 19.694 8.753 11.030 1.00 2.30 H new ATOM 0 HB3 LYS A 100 21.383 8.288 11.006 1.00 2.30 H new ATOM 0 HG2 LYS A 100 20.246 8.403 13.336 1.00 2.60 H new ATOM 0 HG3 LYS A 100 21.797 9.203 13.183 1.00 2.60 H new ATOM 0 HD2 LYS A 100 20.759 11.391 12.973 1.00 2.94 H new ATOM 0 HD3 LYS A 100 19.169 10.693 12.735 1.00 2.94 H new ATOM 0 HE2 LYS A 100 20.150 9.601 15.196 1.00 3.56 H new ATOM 0 HE3 LYS A 100 20.530 11.311 15.243 1.00 3.56 H new ATOM 0 HZ1 LYS A 100 18.300 10.886 16.083 1.00 3.91 H new ATOM 0 HZ2 LYS A 100 18.219 11.812 14.663 1.00 3.91 H new ATOM 0 HZ3 LYS A 100 17.850 10.155 14.618 1.00 3.91 H new ATOM 639 N LYS A 101 23.150 11.458 10.054 1.00 3.09 N ATOM 640 CA LYS A 101 24.571 11.834 10.294 1.00 3.63 C ATOM 641 C LYS A 101 25.435 10.571 10.323 1.00 4.10 C ATOM 642 O LYS A 101 24.883 9.497 10.153 1.00 4.56 O ATOM 643 CB LYS A 101 24.684 12.560 11.637 1.00 3.99 C ATOM 644 CG LYS A 101 25.427 13.882 11.442 1.00 4.58 C ATOM 645 CD LYS A 101 24.450 14.950 10.947 1.00 5.25 C ATOM 646 CE LYS A 101 25.091 16.332 11.085 1.00 6.09 C ATOM 647 NZ LYS A 101 26.362 16.367 10.308 1.00 6.53 N ATOM 648 OXT LYS A 101 26.632 10.701 10.517 1.00 4.44 O ATOM 0 H LYS A 101 22.753 11.793 9.176 1.00 3.09 H new ATOM 0 HA LYS A 101 24.914 12.490 9.494 1.00 3.63 H new ATOM 0 HB2 LYS A 101 23.691 12.746 12.047 1.00 3.99 H new ATOM 0 HB3 LYS A 101 25.214 11.936 12.356 1.00 3.99 H new ATOM 0 HG2 LYS A 101 25.882 14.198 12.381 1.00 4.58 H new ATOM 0 HG3 LYS A 101 26.236 13.754 10.723 1.00 4.58 H new ATOM 0 HD2 LYS A 101 24.186 14.762 9.906 1.00 5.25 H new ATOM 0 HD3 LYS A 101 23.526 14.907 11.523 1.00 5.25 H new ATOM 0 HE2 LYS A 101 24.408 17.100 10.721 1.00 6.09 H new ATOM 0 HE3 LYS A 101 25.287 16.551 12.135 1.00 6.09 H new ATOM 0 HZ1 LYS A 101 26.641 17.355 10.143 1.00 6.53 H new ATOM 0 HZ2 LYS A 101 27.110 15.881 10.843 1.00 6.53 H new ATOM 0 HZ3 LYS A 101 26.224 15.889 9.395 1.00 6.53 H new TER 662 LYS A 101 ATOM 663 N VAL B 62 -33.560 -10.227 10.363 1.00 19.64 N ATOM 664 CA VAL B 62 -34.297 -11.483 10.674 1.00 19.45 C ATOM 665 C VAL B 62 -33.303 -12.637 10.819 1.00 18.79 C ATOM 666 O VAL B 62 -33.475 -13.519 11.636 1.00 19.02 O ATOM 667 CB VAL B 62 -35.274 -11.797 9.541 1.00 19.77 C ATOM 668 CG1 VAL B 62 -36.240 -12.896 9.986 1.00 20.22 C ATOM 669 CG2 VAL B 62 -36.065 -10.536 9.187 1.00 19.99 C ATOM 0 HA VAL B 62 -34.848 -11.356 11.606 1.00 19.45 H new ATOM 0 HB VAL B 62 -34.718 -12.136 8.667 1.00 19.77 H new ATOM 0 HG11 VAL B 62 -36.936 -13.118 9.177 1.00 20.22 H new ATOM 0 HG12 VAL B 62 -35.677 -13.795 10.238 1.00 20.22 H new ATOM 0 HG13 VAL B 62 -36.796 -12.559 10.861 1.00 20.22 H new ATOM 0 HG21 VAL B 62 -36.762 -10.759 8.379 1.00 19.99 H new ATOM 0 HG22 VAL B 62 -36.620 -10.197 10.062 1.00 19.99 H new ATOM 0 HG23 VAL B 62 -35.377 -9.753 8.867 1.00 19.99 H new ATOM 681 N GLN B 63 -32.266 -12.640 10.028 1.00 18.10 N ATOM 682 CA GLN B 63 -31.265 -13.740 10.116 1.00 17.56 C ATOM 683 C GLN B 63 -30.054 -13.270 10.926 1.00 16.86 C ATOM 684 O GLN B 63 -29.709 -12.105 10.929 1.00 16.59 O ATOM 685 CB GLN B 63 -30.816 -14.136 8.709 1.00 17.30 C ATOM 686 CG GLN B 63 -30.215 -12.920 8.001 1.00 17.01 C ATOM 687 CD GLN B 63 -29.146 -13.384 7.009 1.00 16.75 C ATOM 688 OE1 GLN B 63 -29.430 -13.592 5.847 1.00 17.03 O ATOM 689 NE2 GLN B 63 -27.921 -13.557 7.422 1.00 16.36 N ATOM 0 H GLN B 63 -32.068 -11.928 9.324 1.00 18.10 H new ATOM 0 HA GLN B 63 -31.717 -14.601 10.609 1.00 17.56 H new ATOM 0 HB2 GLN B 63 -30.080 -14.938 8.763 1.00 17.30 H new ATOM 0 HB3 GLN B 63 -31.663 -14.519 8.140 1.00 17.30 H new ATOM 0 HG2 GLN B 63 -30.996 -12.367 7.479 1.00 17.01 H new ATOM 0 HG3 GLN B 63 -29.778 -12.240 8.732 1.00 17.01 H new ATOM 0 HE21 GLN B 63 -27.682 -13.382 8.398 1.00 16.36 H new ATOM 0 HE22 GLN B 63 -27.202 -13.867 6.769 1.00 16.36 H new ATOM 698 N LEU B 64 -29.407 -14.173 11.612 1.00 16.69 N ATOM 699 CA LEU B 64 -28.217 -13.785 12.420 1.00 16.15 C ATOM 700 C LEU B 64 -27.089 -13.347 11.487 1.00 15.61 C ATOM 701 O LEU B 64 -27.144 -13.550 10.291 1.00 15.57 O ATOM 702 CB LEU B 64 -27.753 -14.983 13.248 1.00 16.73 C ATOM 703 CG LEU B 64 -27.235 -14.498 14.603 1.00 16.88 C ATOM 704 CD1 LEU B 64 -28.233 -14.878 15.698 1.00 17.47 C ATOM 705 CD2 LEU B 64 -25.885 -15.154 14.896 1.00 17.27 C ATOM 0 H LEU B 64 -29.652 -15.163 11.647 1.00 16.69 H new ATOM 0 HA LEU B 64 -28.481 -12.962 13.084 1.00 16.15 H new ATOM 0 HB2 LEU B 64 -28.578 -15.681 13.391 1.00 16.73 H new ATOM 0 HB3 LEU B 64 -26.968 -15.522 12.718 1.00 16.73 H new ATOM 0 HG LEU B 64 -27.117 -13.415 14.579 1.00 16.88 H new ATOM 0 HD11 LEU B 64 -27.863 -14.532 16.663 1.00 17.47 H new ATOM 0 HD12 LEU B 64 -29.196 -14.412 15.490 1.00 17.47 H new ATOM 0 HD13 LEU B 64 -28.352 -15.961 15.722 1.00 17.47 H new ATOM 0 HD21 LEU B 64 -25.515 -14.809 15.861 1.00 17.27 H new ATOM 0 HD22 LEU B 64 -26.004 -16.237 14.919 1.00 17.27 H new ATOM 0 HD23 LEU B 64 -25.172 -14.884 14.117 1.00 17.27 H new ATOM 717 N ALA B 65 -26.060 -12.750 12.025 1.00 15.34 N ATOM 718 CA ALA B 65 -24.928 -12.305 11.166 1.00 14.99 C ATOM 719 C ALA B 65 -23.604 -12.724 11.814 1.00 14.10 C ATOM 720 O ALA B 65 -23.378 -12.490 12.985 1.00 13.96 O ATOM 721 CB ALA B 65 -24.965 -10.783 11.018 1.00 15.58 C ATOM 0 H ALA B 65 -25.955 -12.552 13.020 1.00 15.34 H new ATOM 0 HA ALA B 65 -25.015 -12.766 10.182 1.00 14.99 H new ATOM 0 HB1 ALA B 65 -24.136 -10.458 10.389 1.00 15.58 H new ATOM 0 HB2 ALA B 65 -25.907 -10.485 10.559 1.00 15.58 H new ATOM 0 HB3 ALA B 65 -24.878 -10.320 12.001 1.00 15.58 H new ATOM 727 N HIS B 66 -22.727 -13.340 11.067 1.00 13.65 N ATOM 728 CA HIS B 66 -21.424 -13.766 11.650 1.00 12.91 C ATOM 729 C HIS B 66 -20.286 -13.003 10.971 1.00 12.30 C ATOM 730 O HIS B 66 -20.273 -12.830 9.768 1.00 12.38 O ATOM 731 CB HIS B 66 -21.235 -15.268 11.430 1.00 12.96 C ATOM 732 CG HIS B 66 -21.896 -16.027 12.548 1.00 13.34 C ATOM 733 ND1 HIS B 66 -22.541 -17.236 12.342 1.00 13.54 N ATOM 734 CD2 HIS B 66 -22.021 -15.759 13.889 1.00 13.74 C ATOM 735 CE1 HIS B 66 -23.022 -17.646 13.530 1.00 14.03 C ATOM 736 NE2 HIS B 66 -22.732 -16.783 14.507 1.00 14.18 N ATOM 0 H HIS B 66 -22.857 -13.566 10.081 1.00 13.65 H new ATOM 0 HA HIS B 66 -21.416 -13.551 12.719 1.00 12.91 H new ATOM 0 HB2 HIS B 66 -21.665 -15.563 10.473 1.00 12.96 H new ATOM 0 HB3 HIS B 66 -20.173 -15.510 11.391 1.00 12.96 H new ATOM 0 HD2 HIS B 66 -21.627 -14.886 14.388 1.00 13.74 H new ATOM 0 HE1 HIS B 66 -23.575 -18.562 13.676 1.00 14.03 H new ATOM 0 HE2 HIS B 66 -22.979 -16.858 15.494 1.00 14.18 H new ATOM 744 N HIS B 67 -19.330 -12.542 11.730 1.00 11.87 N ATOM 745 CA HIS B 67 -18.196 -11.790 11.124 1.00 11.46 C ATOM 746 C HIS B 67 -16.871 -12.405 11.579 1.00 10.55 C ATOM 747 O HIS B 67 -15.813 -11.843 11.380 1.00 10.53 O ATOM 748 CB HIS B 67 -18.260 -10.329 11.572 1.00 11.84 C ATOM 749 CG HIS B 67 -19.188 -9.567 10.666 1.00 12.35 C ATOM 750 ND1 HIS B 67 -18.932 -9.404 9.313 1.00 12.68 N ATOM 751 CD2 HIS B 67 -20.375 -8.918 10.903 1.00 12.80 C ATOM 752 CE1 HIS B 67 -19.942 -8.683 8.793 1.00 13.29 C ATOM 753 NE2 HIS B 67 -20.849 -8.360 9.719 1.00 13.39 N ATOM 0 H HIS B 67 -19.285 -12.654 12.743 1.00 11.87 H new ATOM 0 HA HIS B 67 -18.264 -11.843 10.037 1.00 11.46 H new ATOM 0 HB2 HIS B 67 -18.610 -10.268 12.603 1.00 11.84 H new ATOM 0 HB3 HIS B 67 -17.265 -9.886 11.547 1.00 11.84 H new ATOM 0 HD2 HIS B 67 -20.866 -8.851 11.862 1.00 12.80 H new ATOM 0 HE1 HIS B 67 -20.011 -8.400 7.753 1.00 13.29 H new ATOM 0 HE2 HIS B 67 -21.705 -7.821 9.587 1.00 13.39 H new ATOM 761 N PHE B 68 -16.921 -13.560 12.186 1.00 10.00 N ATOM 762 CA PHE B 68 -15.664 -14.210 12.652 1.00 9.29 C ATOM 763 C PHE B 68 -15.334 -15.394 11.740 1.00 8.27 C ATOM 764 O PHE B 68 -14.832 -16.409 12.181 1.00 8.29 O ATOM 765 CB PHE B 68 -15.850 -14.706 14.086 1.00 9.52 C ATOM 766 CG PHE B 68 -15.242 -13.711 15.044 1.00 10.43 C ATOM 767 CD1 PHE B 68 -15.800 -12.434 15.174 1.00 10.86 C ATOM 768 CD2 PHE B 68 -14.119 -14.066 15.802 1.00 11.07 C ATOM 769 CE1 PHE B 68 -15.235 -11.511 16.062 1.00 11.86 C ATOM 770 CE2 PHE B 68 -13.554 -13.142 16.689 1.00 12.06 C ATOM 771 CZ PHE B 68 -14.112 -11.864 16.819 1.00 12.43 C ATOM 0 H PHE B 68 -17.777 -14.080 12.379 1.00 10.00 H new ATOM 0 HA PHE B 68 -14.847 -13.489 12.620 1.00 9.29 H new ATOM 0 HB2 PHE B 68 -16.910 -14.835 14.303 1.00 9.52 H new ATOM 0 HB3 PHE B 68 -15.378 -15.681 14.209 1.00 9.52 H new ATOM 0 HD1 PHE B 68 -16.666 -12.161 14.589 1.00 10.86 H new ATOM 0 HD2 PHE B 68 -13.689 -15.052 15.702 1.00 11.07 H new ATOM 0 HE1 PHE B 68 -15.666 -10.526 16.163 1.00 11.86 H new ATOM 0 HE2 PHE B 68 -12.688 -13.415 17.273 1.00 12.06 H new ATOM 0 HZ PHE B 68 -13.676 -11.151 17.503 1.00 12.43 H new ATOM 781 N SER B 69 -15.610 -15.273 10.470 1.00 7.61 N ATOM 782 CA SER B 69 -15.311 -16.392 9.532 1.00 6.80 C ATOM 783 C SER B 69 -15.940 -16.098 8.169 1.00 5.60 C ATOM 784 O SER B 69 -17.043 -16.519 7.879 1.00 5.39 O ATOM 785 CB SER B 69 -15.887 -17.693 10.091 1.00 7.36 C ATOM 786 OG SER B 69 -17.138 -17.426 10.710 1.00 8.12 O ATOM 0 H SER B 69 -16.029 -14.448 10.042 1.00 7.61 H new ATOM 0 HA SER B 69 -14.232 -16.492 9.418 1.00 6.80 H new ATOM 0 HB2 SER B 69 -16.013 -18.422 9.290 1.00 7.36 H new ATOM 0 HB3 SER B 69 -15.197 -18.129 10.813 1.00 7.36 H new ATOM 0 HG SER B 69 -17.733 -16.985 10.068 1.00 8.12 H new ATOM 792 N GLU B 70 -15.248 -15.379 7.328 1.00 5.12 N ATOM 793 CA GLU B 70 -15.804 -15.058 5.983 1.00 4.22 C ATOM 794 C GLU B 70 -14.653 -14.740 5.020 1.00 3.04 C ATOM 795 O GLU B 70 -13.595 -14.318 5.442 1.00 3.18 O ATOM 796 CB GLU B 70 -16.730 -13.844 6.091 1.00 4.88 C ATOM 797 CG GLU B 70 -18.180 -14.286 5.886 1.00 5.77 C ATOM 798 CD GLU B 70 -18.993 -13.122 5.315 1.00 6.71 C ATOM 799 OE1 GLU B 70 -18.706 -12.716 4.201 1.00 7.09 O ATOM 800 OE2 GLU B 70 -19.888 -12.657 6.002 1.00 7.29 O ATOM 0 H GLU B 70 -14.320 -14.999 7.515 1.00 5.12 H new ATOM 0 HA GLU B 70 -16.368 -15.912 5.607 1.00 4.22 H new ATOM 0 HB2 GLU B 70 -16.617 -13.373 7.068 1.00 4.88 H new ATOM 0 HB3 GLU B 70 -16.457 -13.098 5.344 1.00 4.88 H new ATOM 0 HG2 GLU B 70 -18.219 -15.138 5.207 1.00 5.77 H new ATOM 0 HG3 GLU B 70 -18.609 -14.613 6.833 1.00 5.77 H new ATOM 807 N PRO B 71 -14.900 -14.951 3.752 1.00 2.28 N ATOM 808 CA PRO B 71 -13.896 -14.693 2.703 1.00 1.48 C ATOM 809 C PRO B 71 -13.528 -13.209 2.685 1.00 1.33 C ATOM 810 O PRO B 71 -12.480 -12.822 2.206 1.00 1.29 O ATOM 811 CB PRO B 71 -14.587 -15.094 1.391 1.00 2.00 C ATOM 812 CG PRO B 71 -16.025 -15.557 1.738 1.00 2.71 C ATOM 813 CD PRO B 71 -16.192 -15.464 3.262 1.00 2.87 C ATOM 0 HA PRO B 71 -12.972 -15.248 2.864 1.00 1.48 H new ATOM 0 HB2 PRO B 71 -14.613 -14.252 0.699 1.00 2.00 H new ATOM 0 HB3 PRO B 71 -14.036 -15.895 0.898 1.00 2.00 H new ATOM 0 HG2 PRO B 71 -16.760 -14.930 1.234 1.00 2.71 H new ATOM 0 HG3 PRO B 71 -16.190 -16.579 1.397 1.00 2.71 H new ATOM 0 HD2 PRO B 71 -17.010 -14.796 3.530 1.00 2.87 H new ATOM 0 HD3 PRO B 71 -16.421 -16.438 3.695 1.00 2.87 H new ATOM 821 N GLU B 72 -14.384 -12.374 3.206 1.00 1.30 N ATOM 822 CA GLU B 72 -14.088 -10.915 3.222 1.00 1.19 C ATOM 823 C GLU B 72 -12.672 -10.688 3.752 1.00 1.06 C ATOM 824 O GLU B 72 -11.799 -10.227 3.043 1.00 1.01 O ATOM 825 CB GLU B 72 -15.091 -10.203 4.132 1.00 1.29 C ATOM 826 CG GLU B 72 -16.474 -10.219 3.479 1.00 1.90 C ATOM 827 CD GLU B 72 -17.433 -9.353 4.297 1.00 2.25 C ATOM 828 OE1 GLU B 72 -17.492 -9.545 5.500 1.00 2.52 O ATOM 829 OE2 GLU B 72 -18.091 -8.512 3.706 1.00 2.89 O ATOM 0 H GLU B 72 -15.277 -12.640 3.622 1.00 1.30 H new ATOM 0 HA GLU B 72 -14.166 -10.517 2.210 1.00 1.19 H new ATOM 0 HB2 GLU B 72 -15.130 -10.696 5.103 1.00 1.29 H new ATOM 0 HB3 GLU B 72 -14.772 -9.176 4.308 1.00 1.29 H new ATOM 0 HG2 GLU B 72 -16.410 -9.844 2.457 1.00 1.90 H new ATOM 0 HG3 GLU B 72 -16.849 -11.241 3.421 1.00 1.90 H new ATOM 836 N ILE B 73 -12.438 -11.004 4.995 1.00 1.07 N ATOM 837 CA ILE B 73 -11.083 -10.804 5.572 1.00 0.98 C ATOM 838 C ILE B 73 -10.027 -11.350 4.606 1.00 0.89 C ATOM 839 O ILE B 73 -8.990 -10.754 4.407 1.00 0.82 O ATOM 840 CB ILE B 73 -10.997 -11.526 6.924 1.00 1.09 C ATOM 841 CG1 ILE B 73 -9.906 -10.873 7.766 1.00 1.29 C ATOM 842 CG2 ILE B 73 -10.665 -13.009 6.719 1.00 1.27 C ATOM 843 CD1 ILE B 73 -10.553 -10.030 8.865 1.00 2.11 C ATOM 0 H ILE B 73 -13.129 -11.393 5.636 1.00 1.07 H new ATOM 0 HA ILE B 73 -10.899 -9.741 5.725 1.00 0.98 H new ATOM 0 HB ILE B 73 -11.959 -11.451 7.432 1.00 1.09 H new ATOM 0 HG12 ILE B 73 -9.265 -11.636 8.207 1.00 1.29 H new ATOM 0 HG13 ILE B 73 -9.271 -10.248 7.138 1.00 1.29 H new ATOM 0 HG21 ILE B 73 -10.608 -13.506 7.687 1.00 1.27 H new ATOM 0 HG22 ILE B 73 -11.444 -13.476 6.117 1.00 1.27 H new ATOM 0 HG23 ILE B 73 -9.707 -13.100 6.207 1.00 1.27 H new ATOM 0 HD11 ILE B 73 -9.776 -9.562 9.469 1.00 2.11 H new ATOM 0 HD12 ILE B 73 -11.176 -9.258 8.413 1.00 2.11 H new ATOM 0 HD13 ILE B 73 -11.169 -10.668 9.498 1.00 2.11 H new ATOM 855 N THR B 74 -10.287 -12.480 4.004 1.00 0.92 N ATOM 856 CA THR B 74 -9.301 -13.068 3.051 1.00 0.87 C ATOM 857 C THR B 74 -8.982 -12.055 1.948 1.00 0.77 C ATOM 858 O THR B 74 -7.838 -11.830 1.607 1.00 0.69 O ATOM 859 CB THR B 74 -9.889 -14.335 2.424 1.00 0.99 C ATOM 860 OG1 THR B 74 -10.092 -15.311 3.437 1.00 1.57 O ATOM 861 CG2 THR B 74 -8.924 -14.881 1.371 1.00 1.43 C ATOM 0 H THR B 74 -11.141 -13.022 4.131 1.00 0.92 H new ATOM 0 HA THR B 74 -8.386 -13.318 3.588 1.00 0.87 H new ATOM 0 HB THR B 74 -10.842 -14.099 1.950 1.00 0.99 H new ATOM 0 HG1 THR B 74 -10.470 -16.123 3.038 1.00 1.57 H new ATOM 0 HG21 THR B 74 -9.344 -15.783 0.926 1.00 1.43 H new ATOM 0 HG22 THR B 74 -8.770 -14.131 0.595 1.00 1.43 H new ATOM 0 HG23 THR B 74 -7.970 -15.119 1.841 1.00 1.43 H new ATOM 869 N LEU B 75 -9.983 -11.446 1.379 1.00 0.81 N ATOM 870 CA LEU B 75 -9.722 -10.456 0.297 1.00 0.74 C ATOM 871 C LEU B 75 -9.068 -9.210 0.892 1.00 0.62 C ATOM 872 O LEU B 75 -8.093 -8.706 0.370 1.00 0.52 O ATOM 873 CB LEU B 75 -11.033 -10.069 -0.397 1.00 0.87 C ATOM 874 CG LEU B 75 -10.776 -9.880 -1.893 1.00 1.11 C ATOM 875 CD1 LEU B 75 -12.006 -9.256 -2.554 1.00 1.02 C ATOM 876 CD2 LEU B 75 -9.572 -8.956 -2.089 1.00 1.63 C ATOM 0 H LEU B 75 -10.965 -11.589 1.614 1.00 0.81 H new ATOM 0 HA LEU B 75 -9.054 -10.904 -0.439 1.00 0.74 H new ATOM 0 HB2 LEU B 75 -11.783 -10.844 -0.240 1.00 0.87 H new ATOM 0 HB3 LEU B 75 -11.429 -9.150 0.035 1.00 0.87 H new ATOM 0 HG LEU B 75 -10.574 -10.849 -2.349 1.00 1.11 H new ATOM 0 HD11 LEU B 75 -11.818 -9.123 -3.619 1.00 1.02 H new ATOM 0 HD12 LEU B 75 -12.865 -9.912 -2.416 1.00 1.02 H new ATOM 0 HD13 LEU B 75 -12.212 -8.287 -2.098 1.00 1.02 H new ATOM 0 HD21 LEU B 75 -9.387 -8.820 -3.155 1.00 1.63 H new ATOM 0 HD22 LEU B 75 -9.777 -7.989 -1.630 1.00 1.63 H new ATOM 0 HD23 LEU B 75 -8.693 -9.400 -1.622 1.00 1.63 H new ATOM 888 N ILE B 76 -9.589 -8.698 1.973 1.00 0.66 N ATOM 889 CA ILE B 76 -8.974 -7.481 2.567 1.00 0.59 C ATOM 890 C ILE B 76 -7.500 -7.753 2.880 1.00 0.48 C ATOM 891 O ILE B 76 -6.634 -6.976 2.528 1.00 0.39 O ATOM 892 CB ILE B 76 -9.713 -7.110 3.854 1.00 0.70 C ATOM 893 CG1 ILE B 76 -11.200 -6.921 3.547 1.00 0.89 C ATOM 894 CG2 ILE B 76 -9.141 -5.808 4.415 1.00 0.73 C ATOM 895 CD1 ILE B 76 -11.986 -6.861 4.856 1.00 1.02 C ATOM 0 H ILE B 76 -10.404 -9.065 2.465 1.00 0.66 H new ATOM 0 HA ILE B 76 -9.046 -6.656 1.859 1.00 0.59 H new ATOM 0 HB ILE B 76 -9.588 -7.906 4.588 1.00 0.70 H new ATOM 0 HG12 ILE B 76 -11.351 -6.004 2.977 1.00 0.89 H new ATOM 0 HG13 ILE B 76 -11.562 -7.743 2.930 1.00 0.89 H new ATOM 0 HG21 ILE B 76 -9.668 -5.544 5.332 1.00 0.73 H new ATOM 0 HG22 ILE B 76 -8.081 -5.940 4.631 1.00 0.73 H new ATOM 0 HG23 ILE B 76 -9.266 -5.010 3.683 1.00 0.73 H new ATOM 0 HD11 ILE B 76 -13.046 -6.726 4.638 1.00 1.02 H new ATOM 0 HD12 ILE B 76 -11.844 -7.790 5.408 1.00 1.02 H new ATOM 0 HD13 ILE B 76 -11.630 -6.024 5.456 1.00 1.02 H new ATOM 907 N ILE B 77 -7.195 -8.856 3.515 1.00 0.51 N ATOM 908 CA ILE B 77 -5.763 -9.154 3.806 1.00 0.45 C ATOM 909 C ILE B 77 -4.990 -9.186 2.486 1.00 0.35 C ATOM 910 O ILE B 77 -3.937 -8.595 2.354 1.00 0.30 O ATOM 911 CB ILE B 77 -5.625 -10.496 4.538 1.00 0.52 C ATOM 912 CG1 ILE B 77 -6.200 -11.628 3.684 1.00 1.19 C ATOM 913 CG2 ILE B 77 -6.385 -10.431 5.864 1.00 1.41 C ATOM 914 CD1 ILE B 77 -6.008 -12.961 4.409 1.00 1.86 C ATOM 0 H ILE B 77 -7.865 -9.553 3.840 1.00 0.51 H new ATOM 0 HA ILE B 77 -5.356 -8.378 4.454 1.00 0.45 H new ATOM 0 HB ILE B 77 -4.568 -10.690 4.723 1.00 0.52 H new ATOM 0 HG12 ILE B 77 -7.259 -11.454 3.495 1.00 1.19 H new ATOM 0 HG13 ILE B 77 -5.704 -11.654 2.714 1.00 1.19 H new ATOM 0 HG21 ILE B 77 -6.288 -11.383 6.386 1.00 1.41 H new ATOM 0 HG22 ILE B 77 -5.971 -9.635 6.482 1.00 1.41 H new ATOM 0 HG23 ILE B 77 -7.438 -10.229 5.670 1.00 1.41 H new ATOM 0 HD11 ILE B 77 -6.417 -13.768 3.801 1.00 1.86 H new ATOM 0 HD12 ILE B 77 -4.945 -13.135 4.575 1.00 1.86 H new ATOM 0 HD13 ILE B 77 -6.525 -12.931 5.368 1.00 1.86 H new ATOM 926 N PHE B 78 -5.515 -9.873 1.503 1.00 0.37 N ATOM 927 CA PHE B 78 -4.819 -9.944 0.186 1.00 0.34 C ATOM 928 C PHE B 78 -4.610 -8.530 -0.358 1.00 0.29 C ATOM 929 O PHE B 78 -3.536 -8.181 -0.807 1.00 0.27 O ATOM 930 CB PHE B 78 -5.659 -10.754 -0.808 1.00 0.44 C ATOM 931 CG PHE B 78 -5.270 -12.212 -0.721 1.00 1.05 C ATOM 932 CD1 PHE B 78 -3.962 -12.605 -1.029 1.00 1.80 C ATOM 933 CD2 PHE B 78 -6.215 -13.168 -0.333 1.00 1.97 C ATOM 934 CE1 PHE B 78 -3.600 -13.955 -0.948 1.00 2.57 C ATOM 935 CE2 PHE B 78 -5.853 -14.518 -0.251 1.00 2.71 C ATOM 936 CZ PHE B 78 -4.544 -14.912 -0.559 1.00 2.81 C ATOM 0 H PHE B 78 -6.395 -10.387 1.557 1.00 0.37 H new ATOM 0 HA PHE B 78 -3.853 -10.432 0.319 1.00 0.34 H new ATOM 0 HB2 PHE B 78 -6.720 -10.635 -0.587 1.00 0.44 H new ATOM 0 HB3 PHE B 78 -5.501 -10.384 -1.821 1.00 0.44 H new ATOM 0 HD1 PHE B 78 -3.233 -11.867 -1.329 1.00 1.80 H new ATOM 0 HD2 PHE B 78 -7.224 -12.864 -0.097 1.00 1.97 H new ATOM 0 HE1 PHE B 78 -2.591 -14.258 -1.186 1.00 2.57 H new ATOM 0 HE2 PHE B 78 -6.582 -15.256 0.050 1.00 2.71 H new ATOM 0 HZ PHE B 78 -4.264 -15.953 -0.496 1.00 2.81 H new ATOM 946 N GLY B 79 -5.628 -7.712 -0.328 1.00 0.30 N ATOM 947 CA GLY B 79 -5.477 -6.324 -0.851 1.00 0.28 C ATOM 948 C GLY B 79 -4.339 -5.620 -0.111 1.00 0.22 C ATOM 949 O GLY B 79 -3.485 -5.001 -0.715 1.00 0.23 O ATOM 0 H GLY B 79 -6.553 -7.944 0.034 1.00 0.30 H new ATOM 0 HA2 GLY B 79 -5.269 -6.348 -1.921 1.00 0.28 H new ATOM 0 HA3 GLY B 79 -6.407 -5.771 -0.719 1.00 0.28 H new ATOM 953 N VAL B 80 -4.313 -5.709 1.191 1.00 0.22 N ATOM 954 CA VAL B 80 -3.219 -5.044 1.952 1.00 0.23 C ATOM 955 C VAL B 80 -1.870 -5.567 1.454 1.00 0.22 C ATOM 956 O VAL B 80 -0.966 -4.805 1.163 1.00 0.23 O ATOM 957 CB VAL B 80 -3.383 -5.350 3.440 1.00 0.27 C ATOM 958 CG1 VAL B 80 -2.179 -4.807 4.210 1.00 0.33 C ATOM 959 CG2 VAL B 80 -4.666 -4.684 3.956 1.00 0.30 C ATOM 0 H VAL B 80 -4.998 -6.210 1.757 1.00 0.22 H new ATOM 0 HA VAL B 80 -3.262 -3.965 1.802 1.00 0.23 H new ATOM 0 HB VAL B 80 -3.447 -6.428 3.586 1.00 0.27 H new ATOM 0 HG11 VAL B 80 -2.297 -5.026 5.271 1.00 0.33 H new ATOM 0 HG12 VAL B 80 -1.268 -5.279 3.841 1.00 0.33 H new ATOM 0 HG13 VAL B 80 -2.112 -3.728 4.067 1.00 0.33 H new ATOM 0 HG21 VAL B 80 -4.787 -4.900 5.018 1.00 0.30 H new ATOM 0 HG22 VAL B 80 -4.600 -3.606 3.810 1.00 0.30 H new ATOM 0 HG23 VAL B 80 -5.524 -5.073 3.407 1.00 0.30 H new ATOM 969 N MET B 81 -1.732 -6.859 1.332 1.00 0.22 N ATOM 970 CA MET B 81 -0.450 -7.424 0.828 1.00 0.23 C ATOM 971 C MET B 81 -0.155 -6.833 -0.551 1.00 0.24 C ATOM 972 O MET B 81 0.940 -6.386 -0.833 1.00 0.25 O ATOM 973 CB MET B 81 -0.572 -8.946 0.719 1.00 0.26 C ATOM 974 CG MET B 81 -0.721 -9.547 2.117 1.00 0.32 C ATOM 975 SD MET B 81 -0.278 -11.303 2.069 1.00 1.15 S ATOM 976 CE MET B 81 -1.752 -11.883 1.193 1.00 1.83 C ATOM 0 H MET B 81 -2.451 -7.546 1.559 1.00 0.22 H new ATOM 0 HA MET B 81 0.359 -7.177 1.515 1.00 0.23 H new ATOM 0 HB2 MET B 81 -1.433 -9.209 0.105 1.00 0.26 H new ATOM 0 HB3 MET B 81 0.309 -9.358 0.227 1.00 0.26 H new ATOM 0 HG2 MET B 81 -0.080 -9.018 2.822 1.00 0.32 H new ATOM 0 HG3 MET B 81 -1.746 -9.429 2.468 1.00 0.32 H new ATOM 0 HE1 MET B 81 -1.724 -12.970 1.114 1.00 1.83 H new ATOM 0 HE2 MET B 81 -2.644 -11.581 1.742 1.00 1.83 H new ATOM 0 HE3 MET B 81 -1.776 -11.448 0.194 1.00 1.83 H new ATOM 986 N ALA B 82 -1.139 -6.827 -1.410 1.00 0.25 N ATOM 987 CA ALA B 82 -0.949 -6.268 -2.776 1.00 0.27 C ATOM 988 C ALA B 82 -0.479 -4.811 -2.677 1.00 0.26 C ATOM 989 O ALA B 82 0.441 -4.404 -3.358 1.00 0.27 O ATOM 990 CB ALA B 82 -2.259 -6.358 -3.570 1.00 0.31 C ATOM 0 H ALA B 82 -2.074 -7.189 -1.220 1.00 0.25 H new ATOM 0 HA ALA B 82 -0.189 -6.848 -3.299 1.00 0.27 H new ATOM 0 HB1 ALA B 82 -2.109 -5.946 -4.568 1.00 0.31 H new ATOM 0 HB2 ALA B 82 -2.565 -7.401 -3.650 1.00 0.31 H new ATOM 0 HB3 ALA B 82 -3.035 -5.791 -3.057 1.00 0.31 H new ATOM 996 N GLY B 83 -1.105 -4.014 -1.845 1.00 0.25 N ATOM 997 CA GLY B 83 -0.682 -2.591 -1.733 1.00 0.26 C ATOM 998 C GLY B 83 0.801 -2.531 -1.369 1.00 0.24 C ATOM 999 O GLY B 83 1.563 -1.798 -1.968 1.00 0.24 O ATOM 0 H GLY B 83 -1.883 -4.288 -1.245 1.00 0.25 H new ATOM 0 HA2 GLY B 83 -0.858 -2.072 -2.675 1.00 0.26 H new ATOM 0 HA3 GLY B 83 -1.275 -2.082 -0.973 1.00 0.26 H new ATOM 1003 N VAL B 84 1.223 -3.294 -0.399 1.00 0.22 N ATOM 1004 CA VAL B 84 2.665 -3.264 -0.022 1.00 0.21 C ATOM 1005 C VAL B 84 3.514 -3.604 -1.251 1.00 0.21 C ATOM 1006 O VAL B 84 4.476 -2.926 -1.560 1.00 0.21 O ATOM 1007 CB VAL B 84 2.928 -4.290 1.081 1.00 0.23 C ATOM 1008 CG1 VAL B 84 4.393 -4.208 1.514 1.00 0.28 C ATOM 1009 CG2 VAL B 84 2.026 -3.991 2.280 1.00 0.31 C ATOM 0 H VAL B 84 0.640 -3.931 0.144 1.00 0.22 H new ATOM 0 HA VAL B 84 2.927 -2.270 0.341 1.00 0.21 H new ATOM 0 HB VAL B 84 2.715 -5.291 0.705 1.00 0.23 H new ATOM 0 HG11 VAL B 84 4.581 -4.939 2.300 1.00 0.28 H new ATOM 0 HG12 VAL B 84 5.037 -4.419 0.660 1.00 0.28 H new ATOM 0 HG13 VAL B 84 4.606 -3.207 1.890 1.00 0.28 H new ATOM 0 HG21 VAL B 84 2.213 -4.722 3.067 1.00 0.31 H new ATOM 0 HG22 VAL B 84 2.240 -2.990 2.656 1.00 0.31 H new ATOM 0 HG23 VAL B 84 0.982 -4.047 1.973 1.00 0.31 H new ATOM 1019 N ILE B 85 3.162 -4.645 -1.962 1.00 0.23 N ATOM 1020 CA ILE B 85 3.944 -5.018 -3.175 1.00 0.25 C ATOM 1021 C ILE B 85 3.976 -3.837 -4.150 1.00 0.26 C ATOM 1022 O ILE B 85 5.012 -3.478 -4.673 1.00 0.26 O ATOM 1023 CB ILE B 85 3.288 -6.221 -3.853 1.00 0.30 C ATOM 1024 CG1 ILE B 85 3.181 -7.371 -2.851 1.00 0.32 C ATOM 1025 CG2 ILE B 85 4.138 -6.663 -5.046 1.00 0.40 C ATOM 1026 CD1 ILE B 85 2.658 -8.622 -3.560 1.00 1.06 C ATOM 0 H ILE B 85 2.368 -5.251 -1.754 1.00 0.23 H new ATOM 0 HA ILE B 85 4.963 -5.274 -2.884 1.00 0.25 H new ATOM 0 HB ILE B 85 2.293 -5.944 -4.200 1.00 0.30 H new ATOM 0 HG12 ILE B 85 4.156 -7.573 -2.408 1.00 0.32 H new ATOM 0 HG13 ILE B 85 2.511 -7.096 -2.036 1.00 0.32 H new ATOM 0 HG21 ILE B 85 3.670 -7.521 -5.529 1.00 0.40 H new ATOM 0 HG22 ILE B 85 4.217 -5.843 -5.760 1.00 0.40 H new ATOM 0 HG23 ILE B 85 5.134 -6.940 -4.700 1.00 0.40 H new ATOM 0 HD11 ILE B 85 2.582 -9.441 -2.845 1.00 1.06 H new ATOM 0 HD12 ILE B 85 1.674 -8.417 -3.982 1.00 1.06 H new ATOM 0 HD13 ILE B 85 3.344 -8.901 -4.359 1.00 1.06 H new ATOM 1038 N GLY B 86 2.845 -3.231 -4.401 1.00 0.27 N ATOM 1039 CA GLY B 86 2.806 -2.076 -5.342 1.00 0.30 C ATOM 1040 C GLY B 86 3.766 -0.988 -4.861 1.00 0.27 C ATOM 1041 O GLY B 86 4.540 -0.447 -5.627 1.00 0.29 O ATOM 0 H GLY B 86 1.946 -3.488 -3.993 1.00 0.27 H new ATOM 0 HA2 GLY B 86 3.083 -2.402 -6.345 1.00 0.30 H new ATOM 0 HA3 GLY B 86 1.793 -1.679 -5.404 1.00 0.30 H new ATOM 1045 N THR B 87 3.723 -0.658 -3.600 1.00 0.24 N ATOM 1046 CA THR B 87 4.634 0.400 -3.081 1.00 0.24 C ATOM 1047 C THR B 87 6.083 0.011 -3.376 1.00 0.24 C ATOM 1048 O THR B 87 6.861 0.808 -3.862 1.00 0.28 O ATOM 1049 CB THR B 87 4.443 0.549 -1.571 1.00 0.25 C ATOM 1050 OG1 THR B 87 3.070 0.783 -1.290 1.00 0.32 O ATOM 1051 CG2 THR B 87 5.279 1.728 -1.068 1.00 0.28 C ATOM 0 H THR B 87 3.099 -1.074 -2.909 1.00 0.24 H new ATOM 0 HA THR B 87 4.403 1.347 -3.568 1.00 0.24 H new ATOM 0 HB THR B 87 4.764 -0.363 -1.069 1.00 0.25 H new ATOM 0 HG1 THR B 87 2.574 -0.059 -1.358 1.00 0.32 H new ATOM 0 HG21 THR B 87 5.145 1.836 0.008 1.00 0.28 H new ATOM 0 HG22 THR B 87 6.332 1.547 -1.286 1.00 0.28 H new ATOM 0 HG23 THR B 87 4.957 2.642 -1.568 1.00 0.28 H new ATOM 1059 N ILE B 88 6.455 -1.209 -3.095 1.00 0.23 N ATOM 1060 CA ILE B 88 7.855 -1.635 -3.372 1.00 0.29 C ATOM 1061 C ILE B 88 8.151 -1.414 -4.857 1.00 0.33 C ATOM 1062 O ILE B 88 9.167 -0.854 -5.224 1.00 0.40 O ATOM 1063 CB ILE B 88 8.019 -3.117 -3.028 1.00 0.33 C ATOM 1064 CG1 ILE B 88 7.746 -3.323 -1.536 1.00 0.34 C ATOM 1065 CG2 ILE B 88 9.447 -3.561 -3.350 1.00 0.40 C ATOM 1066 CD1 ILE B 88 7.628 -4.819 -1.241 1.00 0.41 C ATOM 0 H ILE B 88 5.853 -1.925 -2.688 1.00 0.23 H new ATOM 0 HA ILE B 88 8.548 -1.052 -2.765 1.00 0.29 H new ATOM 0 HB ILE B 88 7.315 -3.708 -3.614 1.00 0.33 H new ATOM 0 HG12 ILE B 88 8.551 -2.887 -0.945 1.00 0.34 H new ATOM 0 HG13 ILE B 88 6.827 -2.811 -1.249 1.00 0.34 H new ATOM 0 HG21 ILE B 88 9.564 -4.617 -3.105 1.00 0.40 H new ATOM 0 HG22 ILE B 88 9.644 -3.411 -4.411 1.00 0.40 H new ATOM 0 HG23 ILE B 88 10.152 -2.972 -2.763 1.00 0.40 H new ATOM 0 HD11 ILE B 88 7.434 -4.966 -0.179 1.00 0.41 H new ATOM 0 HD12 ILE B 88 6.808 -5.241 -1.822 1.00 0.41 H new ATOM 0 HD13 ILE B 88 8.558 -5.318 -1.512 1.00 0.41 H new ATOM 1078 N LEU B 89 7.262 -1.836 -5.713 1.00 0.33 N ATOM 1079 CA LEU B 89 7.475 -1.638 -7.173 1.00 0.41 C ATOM 1080 C LEU B 89 7.663 -0.138 -7.435 1.00 0.44 C ATOM 1081 O LEU B 89 8.566 0.274 -8.135 1.00 0.51 O ATOM 1082 CB LEU B 89 6.259 -2.209 -7.938 1.00 0.44 C ATOM 1083 CG LEU B 89 5.609 -1.148 -8.837 1.00 0.76 C ATOM 1084 CD1 LEU B 89 6.567 -0.781 -9.972 1.00 1.14 C ATOM 1085 CD2 LEU B 89 4.312 -1.708 -9.426 1.00 1.06 C ATOM 0 H LEU B 89 6.395 -2.311 -5.463 1.00 0.33 H new ATOM 0 HA LEU B 89 8.365 -2.162 -7.521 1.00 0.41 H new ATOM 0 HB2 LEU B 89 6.576 -3.057 -8.545 1.00 0.44 H new ATOM 0 HB3 LEU B 89 5.524 -2.584 -7.226 1.00 0.44 H new ATOM 0 HG LEU B 89 5.389 -0.258 -8.248 1.00 0.76 H new ATOM 0 HD11 LEU B 89 6.104 -0.028 -10.609 1.00 1.14 H new ATOM 0 HD12 LEU B 89 7.492 -0.384 -9.553 1.00 1.14 H new ATOM 0 HD13 LEU B 89 6.789 -1.670 -10.563 1.00 1.14 H new ATOM 0 HD21 LEU B 89 3.848 -0.956 -10.065 1.00 1.06 H new ATOM 0 HD22 LEU B 89 4.534 -2.598 -10.015 1.00 1.06 H new ATOM 0 HD23 LEU B 89 3.628 -1.969 -8.618 1.00 1.06 H new ATOM 1097 N LEU B 90 6.814 0.675 -6.870 1.00 0.40 N ATOM 1098 CA LEU B 90 6.934 2.148 -7.070 1.00 0.47 C ATOM 1099 C LEU B 90 8.324 2.602 -6.629 1.00 0.51 C ATOM 1100 O LEU B 90 8.992 3.348 -7.317 1.00 0.60 O ATOM 1101 CB LEU B 90 5.872 2.866 -6.234 1.00 0.47 C ATOM 1102 CG LEU B 90 4.482 2.527 -6.776 1.00 1.14 C ATOM 1103 CD1 LEU B 90 3.414 3.064 -5.820 1.00 2.02 C ATOM 1104 CD2 LEU B 90 4.302 3.170 -8.154 1.00 1.67 C ATOM 0 H LEU B 90 6.039 0.382 -6.276 1.00 0.40 H new ATOM 0 HA LEU B 90 6.787 2.388 -8.123 1.00 0.47 H new ATOM 0 HB2 LEU B 90 5.950 2.564 -5.190 1.00 0.47 H new ATOM 0 HB3 LEU B 90 6.034 3.943 -6.267 1.00 0.47 H new ATOM 0 HG LEU B 90 4.380 1.445 -6.862 1.00 1.14 H new ATOM 0 HD11 LEU B 90 2.424 2.822 -6.207 1.00 2.02 H new ATOM 0 HD12 LEU B 90 3.541 2.607 -4.839 1.00 2.02 H new ATOM 0 HD13 LEU B 90 3.515 4.146 -5.733 1.00 2.02 H new ATOM 0 HD21 LEU B 90 3.312 2.929 -8.541 1.00 1.67 H new ATOM 0 HD22 LEU B 90 4.404 4.252 -8.067 1.00 1.67 H new ATOM 0 HD23 LEU B 90 5.061 2.787 -8.836 1.00 1.67 H new ATOM 1116 N ILE B 91 8.768 2.161 -5.484 1.00 0.47 N ATOM 1117 CA ILE B 91 10.116 2.571 -5.000 1.00 0.57 C ATOM 1118 C ILE B 91 11.161 2.196 -6.048 1.00 0.65 C ATOM 1119 O ILE B 91 12.005 2.995 -6.400 1.00 0.77 O ATOM 1120 CB ILE B 91 10.426 1.854 -3.685 1.00 0.55 C ATOM 1121 CG1 ILE B 91 9.439 2.316 -2.610 1.00 0.51 C ATOM 1122 CG2 ILE B 91 11.852 2.187 -3.244 1.00 0.66 C ATOM 1123 CD1 ILE B 91 9.507 1.370 -1.409 1.00 0.54 C ATOM 0 H ILE B 91 8.256 1.535 -4.863 1.00 0.47 H new ATOM 0 HA ILE B 91 10.135 3.648 -4.835 1.00 0.57 H new ATOM 0 HB ILE B 91 10.333 0.777 -3.828 1.00 0.55 H new ATOM 0 HG12 ILE B 91 9.676 3.333 -2.298 1.00 0.51 H new ATOM 0 HG13 ILE B 91 8.427 2.334 -3.015 1.00 0.51 H new ATOM 0 HG21 ILE B 91 12.072 1.676 -2.307 1.00 0.66 H new ATOM 0 HG22 ILE B 91 12.555 1.860 -4.010 1.00 0.66 H new ATOM 0 HG23 ILE B 91 11.947 3.263 -3.101 1.00 0.66 H new ATOM 0 HD11 ILE B 91 8.804 1.701 -0.645 1.00 0.54 H new ATOM 0 HD12 ILE B 91 9.249 0.360 -1.727 1.00 0.54 H new ATOM 0 HD13 ILE B 91 10.517 1.375 -0.999 1.00 0.54 H new ATOM 1135 N SER B 92 11.115 0.998 -6.565 1.00 0.63 N ATOM 1136 CA SER B 92 12.115 0.621 -7.597 1.00 0.76 C ATOM 1137 C SER B 92 12.018 1.626 -8.745 1.00 0.83 C ATOM 1138 O SER B 92 13.005 2.163 -9.206 1.00 0.95 O ATOM 1139 CB SER B 92 11.815 -0.786 -8.118 1.00 0.74 C ATOM 1140 OG SER B 92 11.561 -1.649 -7.016 1.00 1.53 O ATOM 0 H SER B 92 10.438 0.275 -6.320 1.00 0.63 H new ATOM 0 HA SER B 92 13.118 0.630 -7.170 1.00 0.76 H new ATOM 0 HB2 SER B 92 10.952 -0.764 -8.784 1.00 0.74 H new ATOM 0 HB3 SER B 92 12.658 -1.158 -8.700 1.00 0.74 H new ATOM 0 HG SER B 92 11.367 -2.551 -7.345 1.00 1.53 H new ATOM 1146 N TYR B 93 10.831 1.907 -9.200 1.00 0.77 N ATOM 1147 CA TYR B 93 10.692 2.904 -10.294 1.00 0.87 C ATOM 1148 C TYR B 93 11.307 4.236 -9.839 1.00 0.94 C ATOM 1149 O TYR B 93 12.068 4.857 -10.553 1.00 1.07 O ATOM 1150 CB TYR B 93 9.209 3.109 -10.614 1.00 0.83 C ATOM 1151 CG TYR B 93 9.026 3.223 -12.109 1.00 1.09 C ATOM 1152 CD1 TYR B 93 9.354 4.415 -12.765 1.00 1.74 C ATOM 1153 CD2 TYR B 93 8.527 2.137 -12.837 1.00 1.68 C ATOM 1154 CE1 TYR B 93 9.183 4.521 -14.151 1.00 1.99 C ATOM 1155 CE2 TYR B 93 8.356 2.244 -14.223 1.00 2.03 C ATOM 1156 CZ TYR B 93 8.685 3.435 -14.880 1.00 1.84 C ATOM 1157 OH TYR B 93 8.517 3.539 -16.246 1.00 2.25 O ATOM 0 H TYR B 93 9.960 1.495 -8.866 1.00 0.77 H new ATOM 0 HA TYR B 93 11.206 2.546 -11.186 1.00 0.87 H new ATOM 0 HB2 TYR B 93 8.624 2.274 -10.228 1.00 0.83 H new ATOM 0 HB3 TYR B 93 8.841 4.010 -10.122 1.00 0.83 H new ATOM 0 HD1 TYR B 93 9.739 5.253 -12.203 1.00 1.74 H new ATOM 0 HD2 TYR B 93 8.274 1.217 -12.331 1.00 1.68 H new ATOM 0 HE1 TYR B 93 9.435 5.441 -14.657 1.00 1.99 H new ATOM 0 HE2 TYR B 93 7.970 1.407 -14.785 1.00 2.03 H new ATOM 0 HH TYR B 93 8.164 2.695 -16.597 1.00 2.25 H new ATOM 1167 N GLY B 94 10.971 4.678 -8.650 1.00 0.88 N ATOM 1168 CA GLY B 94 11.519 5.967 -8.139 1.00 0.98 C ATOM 1169 C GLY B 94 13.050 5.936 -8.117 1.00 1.10 C ATOM 1170 O GLY B 94 13.701 6.856 -8.570 1.00 1.24 O ATOM 0 H GLY B 94 10.338 4.196 -8.012 1.00 0.88 H new ATOM 0 HA2 GLY B 94 11.176 6.788 -8.769 1.00 0.98 H new ATOM 0 HA3 GLY B 94 11.140 6.156 -7.135 1.00 0.98 H new ATOM 1174 N ILE B 95 13.637 4.892 -7.590 1.00 1.07 N ATOM 1175 CA ILE B 95 15.127 4.837 -7.549 1.00 1.22 C ATOM 1176 C ILE B 95 15.677 4.973 -8.969 1.00 1.34 C ATOM 1177 O ILE B 95 16.588 5.736 -9.218 1.00 1.50 O ATOM 1178 CB ILE B 95 15.612 3.525 -6.912 1.00 1.20 C ATOM 1179 CG1 ILE B 95 17.113 3.365 -7.163 1.00 1.37 C ATOM 1180 CG2 ILE B 95 14.869 2.334 -7.511 1.00 1.50 C ATOM 1181 CD1 ILE B 95 17.563 1.974 -6.712 1.00 1.81 C ATOM 0 H ILE B 95 13.156 4.086 -7.192 1.00 1.07 H new ATOM 0 HA ILE B 95 15.493 5.660 -6.936 1.00 1.22 H new ATOM 0 HB ILE B 95 15.415 3.560 -5.841 1.00 1.20 H new ATOM 0 HG12 ILE B 95 17.332 3.504 -8.222 1.00 1.37 H new ATOM 0 HG13 ILE B 95 17.667 4.131 -6.620 1.00 1.37 H new ATOM 0 HG21 ILE B 95 15.225 1.413 -7.049 1.00 1.50 H new ATOM 0 HG22 ILE B 95 13.800 2.443 -7.328 1.00 1.50 H new ATOM 0 HG23 ILE B 95 15.051 2.294 -8.585 1.00 1.50 H new ATOM 0 HD11 ILE B 95 18.632 1.862 -6.891 1.00 1.81 H new ATOM 0 HD12 ILE B 95 17.359 1.853 -5.648 1.00 1.81 H new ATOM 0 HD13 ILE B 95 17.019 1.215 -7.275 1.00 1.81 H new ATOM 1193 N ARG B 96 15.129 4.245 -9.906 1.00 1.29 N ATOM 1194 CA ARG B 96 15.624 4.342 -11.311 1.00 1.42 C ATOM 1195 C ARG B 96 15.528 5.793 -11.784 1.00 1.52 C ATOM 1196 O ARG B 96 16.457 6.334 -12.352 1.00 1.68 O ATOM 1197 CB ARG B 96 14.765 3.461 -12.220 1.00 1.36 C ATOM 1198 CG ARG B 96 15.161 1.995 -12.039 1.00 1.61 C ATOM 1199 CD ARG B 96 15.346 1.345 -13.410 1.00 1.77 C ATOM 1200 NE ARG B 96 14.270 1.813 -14.329 1.00 1.70 N ATOM 1201 CZ ARG B 96 14.389 1.637 -15.616 1.00 2.10 C ATOM 1202 NH1 ARG B 96 14.727 0.468 -16.087 1.00 2.54 N ATOM 1203 NH2 ARG B 96 14.170 2.631 -16.433 1.00 2.69 N ATOM 0 H ARG B 96 14.362 3.589 -9.760 1.00 1.29 H new ATOM 0 HA ARG B 96 16.661 4.008 -11.352 1.00 1.42 H new ATOM 0 HB2 ARG B 96 13.710 3.595 -11.981 1.00 1.36 H new ATOM 0 HB3 ARG B 96 14.897 3.758 -13.261 1.00 1.36 H new ATOM 0 HG2 ARG B 96 16.084 1.925 -11.464 1.00 1.61 H new ATOM 0 HG3 ARG B 96 14.393 1.467 -11.475 1.00 1.61 H new ATOM 0 HD2 ARG B 96 16.324 1.601 -13.817 1.00 1.77 H new ATOM 0 HD3 ARG B 96 15.314 0.259 -13.317 1.00 1.77 H new ATOM 0 HE ARG B 96 13.440 2.271 -13.952 1.00 1.70 H new ATOM 0 HH11 ARG B 96 14.898 -0.309 -15.449 1.00 2.54 H new ATOM 0 HH12 ARG B 96 14.820 0.331 -17.093 1.00 2.54 H new ATOM 0 HH21 ARG B 96 13.906 3.545 -16.065 1.00 2.69 H new ATOM 0 HH22 ARG B 96 14.263 2.494 -17.439 1.00 2.69 H new ATOM 1217 N ARG B 97 14.413 6.428 -11.556 1.00 1.43 N ATOM 1218 CA ARG B 97 14.261 7.843 -11.995 1.00 1.55 C ATOM 1219 C ARG B 97 15.366 8.697 -11.372 1.00 1.67 C ATOM 1220 O ARG B 97 16.004 9.485 -12.042 1.00 1.83 O ATOM 1221 CB ARG B 97 12.892 8.372 -11.558 1.00 1.45 C ATOM 1222 CG ARG B 97 12.849 9.890 -11.742 1.00 1.62 C ATOM 1223 CD ARG B 97 11.665 10.264 -12.637 1.00 1.72 C ATOM 1224 NE ARG B 97 10.400 10.169 -11.856 1.00 2.17 N ATOM 1225 CZ ARG B 97 9.312 10.733 -12.306 1.00 2.50 C ATOM 1226 NH1 ARG B 97 8.666 10.200 -13.307 1.00 2.89 N ATOM 1227 NH2 ARG B 97 8.870 11.831 -11.755 1.00 3.17 N ATOM 0 H ARG B 97 13.601 6.029 -11.085 1.00 1.43 H new ATOM 0 HA ARG B 97 14.337 7.894 -13.081 1.00 1.55 H new ATOM 0 HB2 ARG B 97 12.104 7.901 -12.146 1.00 1.45 H new ATOM 0 HB3 ARG B 97 12.708 8.116 -10.515 1.00 1.45 H new ATOM 0 HG2 ARG B 97 12.756 10.382 -10.774 1.00 1.62 H new ATOM 0 HG3 ARG B 97 13.780 10.239 -12.188 1.00 1.62 H new ATOM 0 HD2 ARG B 97 11.792 11.276 -13.021 1.00 1.72 H new ATOM 0 HD3 ARG B 97 11.623 9.598 -13.499 1.00 1.72 H new ATOM 0 HE ARG B 97 10.384 9.664 -10.970 1.00 2.17 H new ATOM 0 HH11 ARG B 97 9.011 9.342 -13.738 1.00 2.89 H new ATOM 0 HH12 ARG B 97 7.816 10.641 -13.658 1.00 2.89 H new ATOM 0 HH21 ARG B 97 9.375 12.248 -10.973 1.00 3.17 H new ATOM 0 HH22 ARG B 97 8.020 12.272 -12.107 1.00 3.17 H new ATOM 1241 N LEU B 98 15.599 8.550 -10.099 1.00 1.62 N ATOM 1242 CA LEU B 98 16.664 9.357 -9.443 1.00 1.76 C ATOM 1243 C LEU B 98 17.989 9.112 -10.165 1.00 1.92 C ATOM 1244 O LEU B 98 18.711 10.032 -10.491 1.00 2.09 O ATOM 1245 CB LEU B 98 16.795 8.936 -7.977 1.00 1.69 C ATOM 1246 CG LEU B 98 15.734 9.652 -7.141 1.00 1.72 C ATOM 1247 CD1 LEU B 98 15.422 8.826 -5.893 1.00 1.72 C ATOM 1248 CD2 LEU B 98 16.260 11.027 -6.722 1.00 2.01 C ATOM 0 H LEU B 98 15.099 7.907 -9.485 1.00 1.62 H new ATOM 0 HA LEU B 98 16.408 10.415 -9.491 1.00 1.76 H new ATOM 0 HB2 LEU B 98 16.676 7.856 -7.886 1.00 1.69 H new ATOM 0 HB3 LEU B 98 17.790 9.180 -7.606 1.00 1.69 H new ATOM 0 HG LEU B 98 14.826 9.772 -7.733 1.00 1.72 H new ATOM 0 HD11 LEU B 98 14.666 9.338 -5.298 1.00 1.72 H new ATOM 0 HD12 LEU B 98 15.049 7.846 -6.189 1.00 1.72 H new ATOM 0 HD13 LEU B 98 16.329 8.705 -5.301 1.00 1.72 H new ATOM 0 HD21 LEU B 98 15.505 11.539 -6.126 1.00 2.01 H new ATOM 0 HD22 LEU B 98 17.168 10.905 -6.131 1.00 2.01 H new ATOM 0 HD23 LEU B 98 16.483 11.618 -7.611 1.00 2.01 H new ATOM 1260 N ILE B 99 18.308 7.874 -10.422 1.00 1.89 N ATOM 1261 CA ILE B 99 19.575 7.560 -11.128 1.00 2.07 C ATOM 1262 C ILE B 99 19.400 7.868 -12.621 1.00 2.17 C ATOM 1263 O ILE B 99 18.930 8.926 -12.990 1.00 2.50 O ATOM 1264 CB ILE B 99 19.892 6.076 -10.928 1.00 2.14 C ATOM 1265 CG1 ILE B 99 18.719 5.234 -11.441 1.00 2.13 C ATOM 1266 CG2 ILE B 99 20.105 5.797 -9.439 1.00 2.25 C ATOM 1267 CD1 ILE B 99 19.068 3.749 -11.328 1.00 2.38 C ATOM 0 H ILE B 99 17.741 7.064 -10.171 1.00 1.89 H new ATOM 0 HA ILE B 99 20.395 8.160 -10.733 1.00 2.07 H new ATOM 0 HB ILE B 99 20.796 5.818 -11.479 1.00 2.14 H new ATOM 0 HG12 ILE B 99 17.821 5.452 -10.863 1.00 2.13 H new ATOM 0 HG13 ILE B 99 18.501 5.489 -12.478 1.00 2.13 H new ATOM 0 HG21 ILE B 99 20.331 4.740 -9.295 1.00 2.25 H new ATOM 0 HG22 ILE B 99 20.936 6.399 -9.071 1.00 2.25 H new ATOM 0 HG23 ILE B 99 19.200 6.053 -8.888 1.00 2.25 H new ATOM 0 HD11 ILE B 99 18.233 3.150 -11.693 1.00 2.38 H new ATOM 0 HD12 ILE B 99 19.955 3.537 -11.925 1.00 2.38 H new ATOM 0 HD13 ILE B 99 19.265 3.500 -10.285 1.00 2.38 H new ATOM 1279 N LYS B 100 19.759 6.955 -13.484 1.00 2.25 N ATOM 1280 CA LYS B 100 19.597 7.202 -14.943 1.00 2.60 C ATOM 1281 C LYS B 100 20.337 8.483 -15.336 1.00 2.97 C ATOM 1282 O LYS B 100 20.657 9.308 -14.504 1.00 3.27 O ATOM 1283 CB LYS B 100 18.108 7.345 -15.265 1.00 2.80 C ATOM 1284 CG LYS B 100 17.896 7.188 -16.772 1.00 3.38 C ATOM 1285 CD LYS B 100 16.806 6.145 -17.027 1.00 3.94 C ATOM 1286 CE LYS B 100 15.431 6.793 -16.858 1.00 4.56 C ATOM 1287 NZ LYS B 100 14.421 6.026 -17.642 1.00 5.22 N ATOM 0 H LYS B 100 20.158 6.049 -13.239 1.00 2.25 H new ATOM 0 HA LYS B 100 20.014 6.366 -15.504 1.00 2.60 H new ATOM 0 HB2 LYS B 100 17.534 6.592 -14.726 1.00 2.80 H new ATOM 0 HB3 LYS B 100 17.745 8.319 -14.935 1.00 2.80 H new ATOM 0 HG2 LYS B 100 17.610 8.144 -17.211 1.00 3.38 H new ATOM 0 HG3 LYS B 100 18.826 6.882 -17.251 1.00 3.38 H new ATOM 0 HD2 LYS B 100 16.906 5.737 -18.033 1.00 3.94 H new ATOM 0 HD3 LYS B 100 16.915 5.312 -16.333 1.00 3.94 H new ATOM 0 HE2 LYS B 100 15.152 6.811 -15.804 1.00 4.56 H new ATOM 0 HE3 LYS B 100 15.461 7.828 -17.197 1.00 4.56 H new ATOM 0 HZ1 LYS B 100 13.486 6.466 -17.528 1.00 5.22 H new ATOM 0 HZ2 LYS B 100 14.685 6.031 -18.648 1.00 5.22 H new ATOM 0 HZ3 LYS B 100 14.387 5.045 -17.298 1.00 5.22 H new ATOM 1301 N LYS B 101 20.614 8.655 -16.600 1.00 3.27 N ATOM 1302 CA LYS B 101 21.335 9.881 -17.046 1.00 3.83 C ATOM 1303 C LYS B 101 22.514 10.150 -16.109 1.00 4.00 C ATOM 1304 O LYS B 101 22.740 11.306 -15.789 1.00 4.36 O ATOM 1305 CB LYS B 101 20.378 11.076 -17.017 1.00 4.43 C ATOM 1306 CG LYS B 101 19.657 11.187 -18.363 1.00 5.03 C ATOM 1307 CD LYS B 101 19.386 12.659 -18.677 1.00 5.77 C ATOM 1308 CE LYS B 101 19.525 12.892 -20.183 1.00 6.68 C ATOM 1309 NZ LYS B 101 20.969 12.903 -20.552 1.00 7.38 N ATOM 1310 OXT LYS B 101 23.170 9.196 -15.727 1.00 4.28 O ATOM 0 H LYS B 101 20.372 7.999 -17.343 1.00 3.27 H new ATOM 0 HA LYS B 101 21.704 9.735 -18.061 1.00 3.83 H new ATOM 0 HB2 LYS B 101 19.652 10.955 -16.213 1.00 4.43 H new ATOM 0 HB3 LYS B 101 20.931 11.993 -16.812 1.00 4.43 H new ATOM 0 HG2 LYS B 101 20.265 10.742 -19.151 1.00 5.03 H new ATOM 0 HG3 LYS B 101 18.719 10.632 -18.332 1.00 5.03 H new ATOM 0 HD2 LYS B 101 18.385 12.934 -18.346 1.00 5.77 H new ATOM 0 HD3 LYS B 101 20.087 13.293 -18.134 1.00 5.77 H new ATOM 0 HE2 LYS B 101 19.004 12.108 -20.733 1.00 6.68 H new ATOM 0 HE3 LYS B 101 19.060 13.838 -20.460 1.00 6.68 H new ATOM 0 HZ1 LYS B 101 21.092 13.398 -21.458 1.00 7.38 H new ATOM 0 HZ2 LYS B 101 21.512 13.393 -19.813 1.00 7.38 H new ATOM 0 HZ3 LYS B 101 21.312 11.925 -20.642 1.00 7.38 H new TER 1324 LYS B 101