USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=14 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= -1.25 K(o=-0.44,f=-2.7) USER MOD Set 1.2: B 66 HIS : no HE2:sc= 0.812 K(o=-0.44,f=-3.1) USER MOD Single : A 63 GLN : amide:sc= -0.803 X(o=-0.8,f=-0.69) USER MOD Single : A 66 HIS : no HD1:sc= -0.997 K(o=-1,f=-2.7!) USER MOD Single : A 67 HIS : no HE2:sc= -8.21! C(o=-8.2!,f=-8.7!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 132:sc= -4.85! USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 100:sc= -0.862 USER MOD Single : A 92 SER OG : rot 180:sc= -0.304 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 161:sc= -1.35 (180deg=-2.28) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 HIS : no HD1:sc= -0.299 X(o=-0.3,f=-0.13) USER MOD Single : B 69 SER OG : rot 180:sc= -0.0481 USER MOD Single : B 74 THR OG1 : rot -110:sc= -3.81! USER MOD Single : B 81 MET CE :methyl -151:sc= -0.0826 (180deg=-1.3) USER MOD Single : B 87 THR OG1 : rot -14:sc= -3.76! USER MOD Single : B 92 SER OG : rot 180:sc= 0 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 -36.226 -12.460 3.615 1.00 18.74 N ATOM 2 CA VAL A 62 -36.019 -13.396 4.757 1.00 18.11 C ATOM 3 C VAL A 62 -34.576 -13.282 5.254 1.00 17.30 C ATOM 4 O VAL A 62 -33.728 -12.702 4.605 1.00 17.26 O ATOM 5 CB VAL A 62 -36.291 -14.828 4.296 1.00 18.42 C ATOM 6 CG1 VAL A 62 -35.341 -15.189 3.153 1.00 18.58 C ATOM 7 CG2 VAL A 62 -36.066 -15.788 5.466 1.00 18.59 C ATOM 0 HA VAL A 62 -36.702 -13.140 5.567 1.00 18.11 H new ATOM 0 HB VAL A 62 -37.321 -14.908 3.949 1.00 18.42 H new ATOM 0 HG11 VAL A 62 -35.537 -16.210 2.826 1.00 18.58 H new ATOM 0 HG12 VAL A 62 -35.498 -14.505 2.319 1.00 18.58 H new ATOM 0 HG13 VAL A 62 -34.310 -15.110 3.498 1.00 18.58 H new ATOM 0 HG21 VAL A 62 -36.259 -16.810 5.140 1.00 18.59 H new ATOM 0 HG22 VAL A 62 -35.035 -15.706 5.811 1.00 18.59 H new ATOM 0 HG23 VAL A 62 -36.743 -15.533 6.281 1.00 18.59 H new ATOM 19 N GLN A 63 -34.290 -13.831 6.404 1.00 16.78 N ATOM 20 CA GLN A 63 -32.902 -13.755 6.945 1.00 16.11 C ATOM 21 C GLN A 63 -32.137 -15.022 6.543 1.00 15.69 C ATOM 22 O GLN A 63 -32.518 -15.712 5.618 1.00 15.68 O ATOM 23 CB GLN A 63 -32.962 -13.637 8.479 1.00 16.10 C ATOM 24 CG GLN A 63 -31.853 -12.708 8.998 1.00 15.49 C ATOM 25 CD GLN A 63 -31.848 -11.403 8.196 1.00 15.09 C ATOM 26 OE1 GLN A 63 -32.755 -10.603 8.310 1.00 15.39 O ATOM 27 NE2 GLN A 63 -30.857 -11.154 7.385 1.00 14.56 N ATOM 0 H GLN A 63 -34.958 -14.329 6.992 1.00 16.78 H new ATOM 0 HA GLN A 63 -32.389 -12.883 6.540 1.00 16.11 H new ATOM 0 HB2 GLN A 63 -33.936 -13.252 8.781 1.00 16.10 H new ATOM 0 HB3 GLN A 63 -32.856 -14.624 8.929 1.00 16.10 H new ATOM 0 HG2 GLN A 63 -32.011 -12.495 10.055 1.00 15.49 H new ATOM 0 HG3 GLN A 63 -30.884 -13.201 8.913 1.00 15.49 H new ATOM 0 HE21 GLN A 63 -30.095 -11.826 7.289 1.00 14.56 H new ATOM 0 HE22 GLN A 63 -30.844 -10.288 6.847 1.00 14.56 H new ATOM 36 N LEU A 64 -31.059 -15.328 7.221 1.00 15.49 N ATOM 37 CA LEU A 64 -30.270 -16.546 6.872 1.00 15.26 C ATOM 38 C LEU A 64 -29.370 -16.242 5.674 1.00 14.77 C ATOM 39 O LEU A 64 -28.731 -17.119 5.127 1.00 14.94 O ATOM 40 CB LEU A 64 -31.215 -17.696 6.517 1.00 15.58 C ATOM 41 CG LEU A 64 -30.777 -18.965 7.250 1.00 15.97 C ATOM 42 CD1 LEU A 64 -32.000 -19.839 7.538 1.00 16.71 C ATOM 43 CD2 LEU A 64 -29.791 -19.741 6.375 1.00 16.05 C ATOM 0 H LEU A 64 -30.692 -14.785 8.002 1.00 15.49 H new ATOM 0 HA LEU A 64 -29.660 -16.834 7.728 1.00 15.26 H new ATOM 0 HB2 LEU A 64 -32.237 -17.439 6.794 1.00 15.58 H new ATOM 0 HB3 LEU A 64 -31.209 -17.866 5.440 1.00 15.58 H new ATOM 0 HG LEU A 64 -30.297 -18.694 8.190 1.00 15.97 H new ATOM 0 HD11 LEU A 64 -31.686 -20.743 8.060 1.00 16.71 H new ATOM 0 HD12 LEU A 64 -32.704 -19.286 8.160 1.00 16.71 H new ATOM 0 HD13 LEU A 64 -32.482 -20.111 6.599 1.00 16.71 H new ATOM 0 HD21 LEU A 64 -29.477 -20.646 6.895 1.00 16.05 H new ATOM 0 HD22 LEU A 64 -30.273 -20.011 5.435 1.00 16.05 H new ATOM 0 HD23 LEU A 64 -28.919 -19.120 6.170 1.00 16.05 H new ATOM 55 N ALA A 65 -29.315 -15.006 5.258 1.00 14.32 N ATOM 56 CA ALA A 65 -28.456 -14.651 4.095 1.00 14.03 C ATOM 57 C ALA A 65 -27.062 -14.264 4.589 1.00 13.34 C ATOM 58 O ALA A 65 -26.381 -13.456 3.989 1.00 13.29 O ATOM 59 CB ALA A 65 -29.076 -13.474 3.340 1.00 14.31 C ATOM 0 H ALA A 65 -29.828 -14.228 5.673 1.00 14.32 H new ATOM 0 HA ALA A 65 -28.379 -15.509 3.427 1.00 14.03 H new ATOM 0 HB1 ALA A 65 -28.446 -13.215 2.489 1.00 14.31 H new ATOM 0 HB2 ALA A 65 -30.069 -13.751 2.986 1.00 14.31 H new ATOM 0 HB3 ALA A 65 -29.156 -12.615 4.007 1.00 14.31 H new ATOM 65 N HIS A 66 -26.631 -14.835 5.681 1.00 12.98 N ATOM 66 CA HIS A 66 -25.279 -14.504 6.214 1.00 12.48 C ATOM 67 C HIS A 66 -25.251 -13.049 6.688 1.00 11.62 C ATOM 68 O HIS A 66 -24.211 -12.521 7.022 1.00 11.76 O ATOM 69 CB HIS A 66 -24.236 -14.701 5.113 1.00 12.81 C ATOM 70 CG HIS A 66 -24.408 -16.064 4.501 1.00 13.36 C ATOM 71 ND1 HIS A 66 -25.264 -16.292 3.436 1.00 13.57 N ATOM 72 CD2 HIS A 66 -23.843 -17.281 4.795 1.00 13.93 C ATOM 73 CE1 HIS A 66 -25.191 -17.601 3.130 1.00 14.23 C ATOM 74 NE2 HIS A 66 -24.339 -18.249 3.927 1.00 14.47 N ATOM 0 H HIS A 66 -27.157 -15.517 6.227 1.00 12.98 H new ATOM 0 HA HIS A 66 -25.053 -15.160 7.054 1.00 12.48 H new ATOM 0 HB2 HIS A 66 -24.347 -13.931 4.350 1.00 12.81 H new ATOM 0 HB3 HIS A 66 -23.232 -14.599 5.525 1.00 12.81 H new ATOM 0 HD2 HIS A 66 -23.123 -17.459 5.580 1.00 13.93 H new ATOM 0 HE1 HIS A 66 -25.754 -18.070 2.336 1.00 14.23 H new ATOM 0 HE2 HIS A 66 -24.102 -19.241 3.905 1.00 14.47 H new ATOM 82 N HIS A 67 -26.388 -12.402 6.722 1.00 10.90 N ATOM 83 CA HIS A 67 -26.439 -10.980 7.177 1.00 10.21 C ATOM 84 C HIS A 67 -25.240 -10.206 6.621 1.00 9.43 C ATOM 85 O HIS A 67 -24.164 -10.222 7.184 1.00 9.32 O ATOM 86 CB HIS A 67 -26.415 -10.928 8.707 1.00 10.37 C ATOM 87 CG HIS A 67 -25.224 -11.690 9.220 1.00 10.53 C ATOM 88 ND1 HIS A 67 -24.011 -11.074 9.487 1.00 10.58 N ATOM 89 CD2 HIS A 67 -25.043 -13.018 9.516 1.00 10.88 C ATOM 90 CE1 HIS A 67 -23.163 -12.022 9.924 1.00 10.97 C ATOM 91 NE2 HIS A 67 -23.741 -13.226 9.961 1.00 11.15 N ATOM 0 H HIS A 67 -27.288 -12.800 6.453 1.00 10.90 H new ATOM 0 HA HIS A 67 -27.359 -10.524 6.811 1.00 10.21 H new ATOM 0 HB2 HIS A 67 -26.370 -9.893 9.045 1.00 10.37 H new ATOM 0 HB3 HIS A 67 -27.333 -11.355 9.110 1.00 10.37 H new ATOM 0 HD1 HIS A 67 -23.800 -10.083 9.373 1.00 10.58 H new ATOM 0 HD2 HIS A 67 -25.797 -13.785 9.418 1.00 10.88 H new ATOM 0 HE1 HIS A 67 -22.139 -11.833 10.210 1.00 10.97 H new ATOM 99 N PHE A 68 -25.423 -9.520 5.524 1.00 9.11 N ATOM 100 CA PHE A 68 -24.298 -8.739 4.933 1.00 8.55 C ATOM 101 C PHE A 68 -23.541 -8.013 6.048 1.00 7.46 C ATOM 102 O PHE A 68 -24.020 -7.894 7.159 1.00 7.39 O ATOM 103 CB PHE A 68 -24.857 -7.714 3.944 1.00 8.98 C ATOM 104 CG PHE A 68 -24.018 -7.712 2.688 1.00 9.76 C ATOM 105 CD1 PHE A 68 -23.814 -8.902 1.980 1.00 10.29 C ATOM 106 CD2 PHE A 68 -23.446 -6.519 2.231 1.00 10.19 C ATOM 107 CE1 PHE A 68 -23.037 -8.899 0.815 1.00 11.19 C ATOM 108 CE2 PHE A 68 -22.670 -6.515 1.066 1.00 11.10 C ATOM 109 CZ PHE A 68 -22.466 -7.706 0.358 1.00 11.57 C ATOM 0 H PHE A 68 -26.303 -9.467 5.012 1.00 9.11 H new ATOM 0 HA PHE A 68 -23.618 -9.414 4.413 1.00 8.55 H new ATOM 0 HB2 PHE A 68 -25.892 -7.955 3.702 1.00 8.98 H new ATOM 0 HB3 PHE A 68 -24.858 -6.722 4.395 1.00 8.98 H new ATOM 0 HD1 PHE A 68 -24.256 -9.822 2.332 1.00 10.29 H new ATOM 0 HD2 PHE A 68 -23.603 -5.601 2.778 1.00 10.19 H new ATOM 0 HE1 PHE A 68 -22.878 -9.817 0.269 1.00 11.19 H new ATOM 0 HE2 PHE A 68 -22.229 -5.594 0.713 1.00 11.10 H new ATOM 0 HZ PHE A 68 -21.868 -7.704 -0.541 1.00 11.57 H new ATOM 119 N SER A 69 -22.362 -7.531 5.767 1.00 6.86 N ATOM 120 CA SER A 69 -21.582 -6.821 6.820 1.00 6.01 C ATOM 121 C SER A 69 -21.600 -5.314 6.550 1.00 5.07 C ATOM 122 O SER A 69 -22.506 -4.615 6.956 1.00 5.28 O ATOM 123 CB SER A 69 -20.139 -7.330 6.814 1.00 6.54 C ATOM 124 OG SER A 69 -20.033 -8.444 7.691 1.00 7.08 O ATOM 0 H SER A 69 -21.906 -7.597 4.857 1.00 6.86 H new ATOM 0 HA SER A 69 -22.030 -7.014 7.795 1.00 6.01 H new ATOM 0 HB2 SER A 69 -19.846 -7.618 5.804 1.00 6.54 H new ATOM 0 HB3 SER A 69 -19.460 -6.538 7.129 1.00 6.54 H new ATOM 0 HG SER A 69 -19.111 -8.775 7.689 1.00 7.08 H new ATOM 130 N GLU A 70 -20.607 -4.804 5.872 1.00 4.41 N ATOM 131 CA GLU A 70 -20.577 -3.341 5.586 1.00 3.84 C ATOM 132 C GLU A 70 -19.210 -2.950 5.009 1.00 2.84 C ATOM 133 O GLU A 70 -19.136 -2.411 3.923 1.00 3.00 O ATOM 134 CB GLU A 70 -20.832 -2.561 6.877 1.00 4.55 C ATOM 135 CG GLU A 70 -22.052 -1.657 6.695 1.00 5.41 C ATOM 136 CD GLU A 70 -21.653 -0.201 6.940 1.00 6.00 C ATOM 137 OE1 GLU A 70 -20.465 0.080 6.916 1.00 6.28 O ATOM 138 OE2 GLU A 70 -22.540 0.610 7.147 1.00 6.49 O ATOM 0 H GLU A 70 -19.818 -5.336 5.505 1.00 4.41 H new ATOM 0 HA GLU A 70 -21.353 -3.102 4.859 1.00 3.84 H new ATOM 0 HB2 GLU A 70 -20.998 -3.251 7.704 1.00 4.55 H new ATOM 0 HB3 GLU A 70 -19.957 -1.962 7.131 1.00 4.55 H new ATOM 0 HG2 GLU A 70 -22.454 -1.770 5.688 1.00 5.41 H new ATOM 0 HG3 GLU A 70 -22.841 -1.950 7.388 1.00 5.41 H new ATOM 145 N PRO A 71 -18.166 -3.230 5.751 1.00 2.18 N ATOM 146 CA PRO A 71 -16.793 -2.910 5.321 1.00 1.51 C ATOM 147 C PRO A 71 -16.508 -3.526 3.946 1.00 1.23 C ATOM 148 O PRO A 71 -16.488 -2.840 2.943 1.00 1.13 O ATOM 149 CB PRO A 71 -15.892 -3.534 6.397 1.00 1.87 C ATOM 150 CG PRO A 71 -16.810 -4.076 7.522 1.00 2.49 C ATOM 151 CD PRO A 71 -18.266 -3.887 7.067 1.00 2.65 C ATOM 0 HA PRO A 71 -16.627 -1.837 5.221 1.00 1.51 H new ATOM 0 HB2 PRO A 71 -15.290 -4.338 5.973 1.00 1.87 H new ATOM 0 HB3 PRO A 71 -15.199 -2.792 6.793 1.00 1.87 H new ATOM 0 HG2 PRO A 71 -16.602 -5.129 7.712 1.00 2.49 H new ATOM 0 HG3 PRO A 71 -16.628 -3.542 8.455 1.00 2.49 H new ATOM 0 HD2 PRO A 71 -18.785 -4.843 6.994 1.00 2.65 H new ATOM 0 HD3 PRO A 71 -18.825 -3.274 7.774 1.00 2.65 H new ATOM 159 N GLU A 72 -16.298 -4.815 3.903 1.00 1.29 N ATOM 160 CA GLU A 72 -16.024 -5.512 2.608 1.00 1.13 C ATOM 161 C GLU A 72 -15.224 -4.609 1.659 1.00 1.00 C ATOM 162 O GLU A 72 -14.224 -4.042 2.046 1.00 0.97 O ATOM 163 CB GLU A 72 -17.354 -5.914 1.968 1.00 1.32 C ATOM 164 CG GLU A 72 -18.160 -6.757 2.958 1.00 1.94 C ATOM 165 CD GLU A 72 -19.612 -6.274 2.978 1.00 2.47 C ATOM 166 OE1 GLU A 72 -20.025 -5.661 2.008 1.00 2.89 O ATOM 167 OE2 GLU A 72 -20.286 -6.525 3.964 1.00 3.01 O ATOM 0 H GLU A 72 -16.304 -5.424 4.721 1.00 1.29 H new ATOM 0 HA GLU A 72 -15.426 -6.403 2.800 1.00 1.13 H new ATOM 0 HB2 GLU A 72 -17.918 -5.025 1.687 1.00 1.32 H new ATOM 0 HB3 GLU A 72 -17.174 -6.480 1.054 1.00 1.32 H new ATOM 0 HG2 GLU A 72 -18.120 -7.808 2.674 1.00 1.94 H new ATOM 0 HG3 GLU A 72 -17.726 -6.680 3.955 1.00 1.94 H new ATOM 174 N ILE A 73 -15.644 -4.485 0.417 1.00 0.99 N ATOM 175 CA ILE A 73 -14.899 -3.633 -0.553 1.00 0.91 C ATOM 176 C ILE A 73 -14.350 -2.395 0.157 1.00 0.80 C ATOM 177 O ILE A 73 -13.191 -2.058 0.025 1.00 0.74 O ATOM 178 CB ILE A 73 -15.841 -3.213 -1.684 1.00 1.03 C ATOM 179 CG1 ILE A 73 -15.008 -2.726 -2.864 1.00 1.05 C ATOM 180 CG2 ILE A 73 -16.765 -2.088 -1.212 1.00 1.28 C ATOM 181 CD1 ILE A 73 -15.172 -3.698 -4.033 1.00 1.48 C ATOM 0 H ILE A 73 -16.474 -4.942 0.039 1.00 0.99 H new ATOM 0 HA ILE A 73 -14.065 -4.198 -0.968 1.00 0.91 H new ATOM 0 HB ILE A 73 -16.451 -4.066 -1.983 1.00 1.03 H new ATOM 0 HG12 ILE A 73 -15.325 -1.726 -3.160 1.00 1.05 H new ATOM 0 HG13 ILE A 73 -13.958 -2.656 -2.579 1.00 1.05 H new ATOM 0 HG21 ILE A 73 -17.430 -1.798 -2.025 1.00 1.28 H new ATOM 0 HG22 ILE A 73 -17.357 -2.435 -0.365 1.00 1.28 H new ATOM 0 HG23 ILE A 73 -16.167 -1.229 -0.909 1.00 1.28 H new ATOM 0 HD11 ILE A 73 -14.578 -3.353 -4.879 1.00 1.48 H new ATOM 0 HD12 ILE A 73 -14.834 -4.689 -3.732 1.00 1.48 H new ATOM 0 HD13 ILE A 73 -16.222 -3.745 -4.322 1.00 1.48 H new ATOM 193 N THR A 74 -15.167 -1.728 0.922 1.00 0.81 N ATOM 194 CA THR A 74 -14.684 -0.528 1.655 1.00 0.76 C ATOM 195 C THR A 74 -13.468 -0.920 2.495 1.00 0.68 C ATOM 196 O THR A 74 -12.464 -0.233 2.520 1.00 0.62 O ATOM 197 CB THR A 74 -15.788 0.010 2.570 1.00 0.86 C ATOM 198 OG1 THR A 74 -15.790 -0.724 3.783 1.00 1.35 O ATOM 199 CG2 THR A 74 -17.147 -0.130 1.881 1.00 1.19 C ATOM 0 H THR A 74 -16.148 -1.963 1.071 1.00 0.81 H new ATOM 0 HA THR A 74 -14.411 0.249 0.941 1.00 0.76 H new ATOM 0 HB THR A 74 -15.603 1.063 2.781 1.00 0.86 H new ATOM 0 HG1 THR A 74 -15.818 -0.103 4.541 1.00 1.35 H new ATOM 0 HG21 THR A 74 -17.929 0.254 2.536 1.00 1.19 H new ATOM 0 HG22 THR A 74 -17.143 0.437 0.950 1.00 1.19 H new ATOM 0 HG23 THR A 74 -17.339 -1.181 1.665 1.00 1.19 H new ATOM 207 N LEU A 75 -13.552 -2.017 3.198 1.00 0.72 N ATOM 208 CA LEU A 75 -12.398 -2.441 4.042 1.00 0.69 C ATOM 209 C LEU A 75 -11.256 -2.939 3.156 1.00 0.58 C ATOM 210 O LEU A 75 -10.114 -2.580 3.354 1.00 0.50 O ATOM 211 CB LEU A 75 -12.828 -3.565 4.989 1.00 0.82 C ATOM 212 CG LEU A 75 -12.108 -3.409 6.330 1.00 0.88 C ATOM 213 CD1 LEU A 75 -12.274 -4.690 7.150 1.00 0.87 C ATOM 214 CD2 LEU A 75 -10.618 -3.154 6.088 1.00 1.02 C ATOM 0 H LEU A 75 -14.364 -2.634 3.225 1.00 0.72 H new ATOM 0 HA LEU A 75 -12.058 -1.584 4.624 1.00 0.69 H new ATOM 0 HB2 LEU A 75 -13.907 -3.535 5.139 1.00 0.82 H new ATOM 0 HB3 LEU A 75 -12.594 -4.534 4.549 1.00 0.82 H new ATOM 0 HG LEU A 75 -12.537 -2.567 6.873 1.00 0.88 H new ATOM 0 HD11 LEU A 75 -11.761 -4.579 8.105 1.00 0.87 H new ATOM 0 HD12 LEU A 75 -13.334 -4.874 7.326 1.00 0.87 H new ATOM 0 HD13 LEU A 75 -11.845 -5.530 6.603 1.00 0.87 H new ATOM 0 HD21 LEU A 75 -10.108 -3.043 7.045 1.00 1.02 H new ATOM 0 HD22 LEU A 75 -10.189 -3.995 5.543 1.00 1.02 H new ATOM 0 HD23 LEU A 75 -10.495 -2.242 5.504 1.00 1.02 H new ATOM 226 N ILE A 76 -11.535 -3.776 2.192 1.00 0.62 N ATOM 227 CA ILE A 76 -10.430 -4.287 1.335 1.00 0.57 C ATOM 228 C ILE A 76 -9.689 -3.118 0.678 1.00 0.45 C ATOM 229 O ILE A 76 -8.477 -3.040 0.727 1.00 0.38 O ATOM 230 CB ILE A 76 -11.014 -5.189 0.247 1.00 0.69 C ATOM 231 CG1 ILE A 76 -11.806 -6.325 0.899 1.00 0.91 C ATOM 232 CG2 ILE A 76 -9.878 -5.776 -0.593 1.00 0.76 C ATOM 233 CD1 ILE A 76 -12.700 -6.991 -0.149 1.00 1.10 C ATOM 0 H ILE A 76 -12.467 -4.123 1.964 1.00 0.62 H new ATOM 0 HA ILE A 76 -9.730 -4.851 1.952 1.00 0.57 H new ATOM 0 HB ILE A 76 -11.675 -4.605 -0.394 1.00 0.69 H new ATOM 0 HG12 ILE A 76 -11.124 -7.058 1.329 1.00 0.91 H new ATOM 0 HG13 ILE A 76 -12.413 -5.937 1.717 1.00 0.91 H new ATOM 0 HG21 ILE A 76 -10.294 -6.419 -1.369 1.00 0.76 H new ATOM 0 HG22 ILE A 76 -9.313 -4.967 -1.056 1.00 0.76 H new ATOM 0 HG23 ILE A 76 -9.217 -6.360 0.047 1.00 0.76 H new ATOM 0 HD11 ILE A 76 -13.264 -7.800 0.315 1.00 1.10 H new ATOM 0 HD12 ILE A 76 -13.392 -6.255 -0.558 1.00 1.10 H new ATOM 0 HD13 ILE A 76 -12.082 -7.394 -0.952 1.00 1.10 H new ATOM 245 N ILE A 77 -10.398 -2.188 0.090 1.00 0.44 N ATOM 246 CA ILE A 77 -9.701 -1.023 -0.526 1.00 0.36 C ATOM 247 C ILE A 77 -8.884 -0.321 0.555 1.00 0.28 C ATOM 248 O ILE A 77 -7.723 -0.005 0.378 1.00 0.25 O ATOM 249 CB ILE A 77 -10.723 -0.050 -1.115 1.00 0.39 C ATOM 250 CG1 ILE A 77 -10.007 1.213 -1.599 1.00 1.21 C ATOM 251 CG2 ILE A 77 -11.746 0.321 -0.047 1.00 1.18 C ATOM 252 CD1 ILE A 77 -9.993 1.240 -3.128 1.00 1.58 C ATOM 0 H ILE A 77 -11.415 -2.185 0.011 1.00 0.44 H new ATOM 0 HA ILE A 77 -9.047 -1.366 -1.328 1.00 0.36 H new ATOM 0 HB ILE A 77 -11.231 -0.522 -1.956 1.00 0.39 H new ATOM 0 HG12 ILE A 77 -10.511 2.099 -1.214 1.00 1.21 H new ATOM 0 HG13 ILE A 77 -8.987 1.235 -1.215 1.00 1.21 H new ATOM 0 HG21 ILE A 77 -12.475 1.015 -0.467 1.00 1.18 H new ATOM 0 HG22 ILE A 77 -12.257 -0.579 0.296 1.00 1.18 H new ATOM 0 HG23 ILE A 77 -11.239 0.793 0.794 1.00 1.18 H new ATOM 0 HD11 ILE A 77 -9.483 2.140 -3.471 1.00 1.58 H new ATOM 0 HD12 ILE A 77 -9.469 0.361 -3.503 1.00 1.58 H new ATOM 0 HD13 ILE A 77 -11.017 1.239 -3.501 1.00 1.58 H new ATOM 264 N PHE A 78 -9.499 -0.079 1.681 1.00 0.31 N ATOM 265 CA PHE A 78 -8.788 0.600 2.801 1.00 0.32 C ATOM 266 C PHE A 78 -7.539 -0.195 3.185 1.00 0.30 C ATOM 267 O PHE A 78 -6.471 0.356 3.353 1.00 0.30 O ATOM 268 CB PHE A 78 -9.717 0.709 4.015 1.00 0.41 C ATOM 269 CG PHE A 78 -10.572 1.952 3.893 1.00 0.80 C ATOM 270 CD1 PHE A 78 -10.786 2.542 2.640 1.00 1.66 C ATOM 271 CD2 PHE A 78 -11.155 2.513 5.036 1.00 1.52 C ATOM 272 CE1 PHE A 78 -11.579 3.689 2.531 1.00 2.09 C ATOM 273 CE2 PHE A 78 -11.948 3.663 4.927 1.00 1.97 C ATOM 274 CZ PHE A 78 -12.160 4.250 3.674 1.00 1.95 C ATOM 0 H PHE A 78 -10.470 -0.324 1.874 1.00 0.31 H new ATOM 0 HA PHE A 78 -8.493 1.599 2.479 1.00 0.32 H new ATOM 0 HB2 PHE A 78 -10.351 -0.175 4.080 1.00 0.41 H new ATOM 0 HB3 PHE A 78 -9.130 0.749 4.932 1.00 0.41 H new ATOM 0 HD1 PHE A 78 -10.338 2.110 1.757 1.00 1.66 H new ATOM 0 HD2 PHE A 78 -10.993 2.059 6.002 1.00 1.52 H new ATOM 0 HE1 PHE A 78 -11.743 4.142 1.564 1.00 2.09 H new ATOM 0 HE2 PHE A 78 -12.395 4.096 5.809 1.00 1.97 H new ATOM 0 HZ PHE A 78 -12.772 5.136 3.589 1.00 1.95 H new ATOM 284 N GLY A 79 -7.665 -1.486 3.338 1.00 0.31 N ATOM 285 CA GLY A 79 -6.477 -2.302 3.724 1.00 0.32 C ATOM 286 C GLY A 79 -5.360 -2.097 2.701 1.00 0.26 C ATOM 287 O GLY A 79 -4.224 -1.856 3.057 1.00 0.26 O ATOM 0 H GLY A 79 -8.532 -2.008 3.214 1.00 0.31 H new ATOM 0 HA2 GLY A 79 -6.132 -2.013 4.717 1.00 0.32 H new ATOM 0 HA3 GLY A 79 -6.748 -3.356 3.775 1.00 0.32 H new ATOM 291 N VAL A 80 -5.667 -2.175 1.434 1.00 0.23 N ATOM 292 CA VAL A 80 -4.604 -1.966 0.414 1.00 0.22 C ATOM 293 C VAL A 80 -3.980 -0.586 0.634 1.00 0.21 C ATOM 294 O VAL A 80 -2.773 -0.437 0.689 1.00 0.22 O ATOM 295 CB VAL A 80 -5.219 -2.050 -0.985 1.00 0.24 C ATOM 296 CG1 VAL A 80 -4.123 -1.869 -2.037 1.00 0.28 C ATOM 297 CG2 VAL A 80 -5.879 -3.421 -1.167 1.00 0.28 C ATOM 0 H VAL A 80 -6.598 -2.372 1.066 1.00 0.23 H new ATOM 0 HA VAL A 80 -3.835 -2.733 0.506 1.00 0.22 H new ATOM 0 HB VAL A 80 -5.967 -1.265 -1.102 1.00 0.24 H new ATOM 0 HG11 VAL A 80 -4.561 -1.929 -3.033 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -3.651 -0.895 -1.906 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -3.375 -2.654 -1.922 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -6.318 -3.484 -2.163 1.00 0.28 H new ATOM 0 HG22 VAL A 80 -5.130 -4.204 -1.051 1.00 0.28 H new ATOM 0 HG23 VAL A 80 -6.659 -3.552 -0.417 1.00 0.28 H new ATOM 307 N MET A 81 -4.798 0.421 0.792 1.00 0.22 N ATOM 308 CA MET A 81 -4.260 1.787 1.045 1.00 0.25 C ATOM 309 C MET A 81 -3.388 1.746 2.299 1.00 0.27 C ATOM 310 O MET A 81 -2.287 2.260 2.329 1.00 0.28 O ATOM 311 CB MET A 81 -5.417 2.766 1.257 1.00 0.29 C ATOM 312 CG MET A 81 -6.064 3.094 -0.090 1.00 0.36 C ATOM 313 SD MET A 81 -4.873 3.970 -1.135 1.00 1.07 S ATOM 314 CE MET A 81 -5.267 3.123 -2.684 1.00 1.70 C ATOM 0 H MET A 81 -5.815 0.355 0.757 1.00 0.22 H new ATOM 0 HA MET A 81 -3.669 2.116 0.191 1.00 0.25 H new ATOM 0 HB2 MET A 81 -6.156 2.332 1.931 1.00 0.29 H new ATOM 0 HB3 MET A 81 -5.053 3.679 1.729 1.00 0.29 H new ATOM 0 HG2 MET A 81 -6.390 2.177 -0.582 1.00 0.36 H new ATOM 0 HG3 MET A 81 -6.952 3.708 0.061 1.00 0.36 H new ATOM 0 HE1 MET A 81 -4.637 3.514 -3.483 1.00 1.70 H new ATOM 0 HE2 MET A 81 -5.087 2.054 -2.570 1.00 1.70 H new ATOM 0 HE3 MET A 81 -6.315 3.290 -2.934 1.00 1.70 H new ATOM 324 N ALA A 82 -3.887 1.133 3.340 1.00 0.28 N ATOM 325 CA ALA A 82 -3.117 1.041 4.609 1.00 0.32 C ATOM 326 C ALA A 82 -1.764 0.369 4.349 1.00 0.30 C ATOM 327 O ALA A 82 -0.742 0.838 4.808 1.00 0.30 O ATOM 328 CB ALA A 82 -3.917 0.252 5.656 1.00 0.37 C ATOM 0 H ALA A 82 -4.805 0.689 3.362 1.00 0.28 H new ATOM 0 HA ALA A 82 -2.941 2.045 4.994 1.00 0.32 H new ATOM 0 HB1 ALA A 82 -3.344 0.191 6.581 1.00 0.37 H new ATOM 0 HB2 ALA A 82 -4.863 0.758 5.848 1.00 0.37 H new ATOM 0 HB3 ALA A 82 -4.112 -0.753 5.283 1.00 0.37 H new ATOM 334 N GLY A 83 -1.733 -0.723 3.626 1.00 0.28 N ATOM 335 CA GLY A 83 -0.425 -1.385 3.373 1.00 0.27 C ATOM 336 C GLY A 83 0.517 -0.380 2.715 1.00 0.23 C ATOM 337 O GLY A 83 1.650 -0.218 3.126 1.00 0.23 O ATOM 0 H GLY A 83 -2.545 -1.176 3.207 1.00 0.28 H new ATOM 0 HA2 GLY A 83 0.002 -1.746 4.309 1.00 0.27 H new ATOM 0 HA3 GLY A 83 -0.560 -2.253 2.728 1.00 0.27 H new ATOM 341 N VAL A 84 0.059 0.316 1.710 1.00 0.21 N ATOM 342 CA VAL A 84 0.943 1.324 1.060 1.00 0.19 C ATOM 343 C VAL A 84 1.408 2.332 2.117 1.00 0.20 C ATOM 344 O VAL A 84 2.578 2.646 2.221 1.00 0.19 O ATOM 345 CB VAL A 84 0.167 2.054 -0.038 1.00 0.22 C ATOM 346 CG1 VAL A 84 1.088 3.061 -0.729 1.00 0.28 C ATOM 347 CG2 VAL A 84 -0.338 1.041 -1.067 1.00 0.27 C ATOM 0 H VAL A 84 -0.878 0.232 1.315 1.00 0.21 H new ATOM 0 HA VAL A 84 1.807 0.827 0.618 1.00 0.19 H new ATOM 0 HB VAL A 84 -0.681 2.577 0.404 1.00 0.22 H new ATOM 0 HG11 VAL A 84 0.536 3.582 -1.512 1.00 0.28 H new ATOM 0 HG12 VAL A 84 1.450 3.784 0.002 1.00 0.28 H new ATOM 0 HG13 VAL A 84 1.935 2.536 -1.171 1.00 0.28 H new ATOM 0 HG21 VAL A 84 -0.891 1.562 -1.849 1.00 0.27 H new ATOM 0 HG22 VAL A 84 0.510 0.518 -1.509 1.00 0.27 H new ATOM 0 HG23 VAL A 84 -0.994 0.321 -0.577 1.00 0.27 H new ATOM 357 N ILE A 85 0.495 2.831 2.910 1.00 0.23 N ATOM 358 CA ILE A 85 0.867 3.808 3.973 1.00 0.27 C ATOM 359 C ILE A 85 1.919 3.192 4.898 1.00 0.27 C ATOM 360 O ILE A 85 2.912 3.812 5.224 1.00 0.28 O ATOM 361 CB ILE A 85 -0.375 4.172 4.787 1.00 0.33 C ATOM 362 CG1 ILE A 85 -1.301 5.048 3.941 1.00 0.67 C ATOM 363 CG2 ILE A 85 0.043 4.940 6.043 1.00 0.75 C ATOM 364 CD1 ILE A 85 -2.750 4.837 4.384 1.00 1.20 C ATOM 0 H ILE A 85 -0.498 2.601 2.865 1.00 0.23 H new ATOM 0 HA ILE A 85 1.277 4.705 3.509 1.00 0.27 H new ATOM 0 HB ILE A 85 -0.898 3.260 5.075 1.00 0.33 H new ATOM 0 HG12 ILE A 85 -1.026 6.097 4.049 1.00 0.67 H new ATOM 0 HG13 ILE A 85 -1.192 4.797 2.886 1.00 0.67 H new ATOM 0 HG21 ILE A 85 -0.843 5.199 6.623 1.00 0.75 H new ATOM 0 HG22 ILE A 85 0.703 4.318 6.647 1.00 0.75 H new ATOM 0 HG23 ILE A 85 0.567 5.851 5.755 1.00 0.75 H new ATOM 0 HD11 ILE A 85 -3.409 5.461 3.781 1.00 1.20 H new ATOM 0 HD12 ILE A 85 -3.022 3.790 4.253 1.00 1.20 H new ATOM 0 HD13 ILE A 85 -2.853 5.110 5.434 1.00 1.20 H new ATOM 376 N GLY A 86 1.706 1.978 5.335 1.00 0.29 N ATOM 377 CA GLY A 86 2.690 1.330 6.246 1.00 0.33 C ATOM 378 C GLY A 86 4.065 1.312 5.583 1.00 0.30 C ATOM 379 O GLY A 86 5.059 1.660 6.189 1.00 0.33 O ATOM 0 H GLY A 86 0.893 1.409 5.099 1.00 0.29 H new ATOM 0 HA2 GLY A 86 2.738 1.871 7.191 1.00 0.33 H new ATOM 0 HA3 GLY A 86 2.373 0.313 6.477 1.00 0.33 H new ATOM 383 N THR A 87 4.137 0.916 4.342 1.00 0.25 N ATOM 384 CA THR A 87 5.457 0.890 3.657 1.00 0.25 C ATOM 385 C THR A 87 6.069 2.289 3.712 1.00 0.26 C ATOM 386 O THR A 87 7.222 2.460 4.054 1.00 0.32 O ATOM 387 CB THR A 87 5.268 0.470 2.198 1.00 0.24 C ATOM 388 OG1 THR A 87 4.846 -0.886 2.147 1.00 0.34 O ATOM 389 CG2 THR A 87 6.590 0.626 1.445 1.00 0.31 C ATOM 0 H THR A 87 3.344 0.612 3.777 1.00 0.25 H new ATOM 0 HA THR A 87 6.117 0.178 4.151 1.00 0.25 H new ATOM 0 HB THR A 87 4.512 1.102 1.733 1.00 0.24 H new ATOM 0 HG1 THR A 87 3.876 -0.922 2.012 1.00 0.34 H new ATOM 0 HG21 THR A 87 6.454 0.327 0.406 1.00 0.31 H new ATOM 0 HG22 THR A 87 6.910 1.667 1.484 1.00 0.31 H new ATOM 0 HG23 THR A 87 7.349 -0.004 1.908 1.00 0.31 H new ATOM 397 N ILE A 88 5.301 3.293 3.389 1.00 0.24 N ATOM 398 CA ILE A 88 5.834 4.682 3.438 1.00 0.33 C ATOM 399 C ILE A 88 6.347 4.974 4.849 1.00 0.39 C ATOM 400 O ILE A 88 7.434 5.485 5.034 1.00 0.47 O ATOM 401 CB ILE A 88 4.722 5.671 3.083 1.00 0.37 C ATOM 402 CG1 ILE A 88 4.310 5.474 1.622 1.00 0.39 C ATOM 403 CG2 ILE A 88 5.229 7.101 3.282 1.00 0.47 C ATOM 404 CD1 ILE A 88 3.343 6.586 1.211 1.00 0.49 C ATOM 0 H ILE A 88 4.328 3.211 3.094 1.00 0.24 H new ATOM 0 HA ILE A 88 6.650 4.786 2.722 1.00 0.33 H new ATOM 0 HB ILE A 88 3.861 5.497 3.729 1.00 0.37 H new ATOM 0 HG12 ILE A 88 5.191 5.487 0.980 1.00 0.39 H new ATOM 0 HG13 ILE A 88 3.837 4.500 1.494 1.00 0.39 H new ATOM 0 HG21 ILE A 88 4.437 7.806 3.029 1.00 0.47 H new ATOM 0 HG22 ILE A 88 5.522 7.242 4.322 1.00 0.47 H new ATOM 0 HG23 ILE A 88 6.090 7.275 2.636 1.00 0.47 H new ATOM 0 HD11 ILE A 88 3.049 6.446 0.171 1.00 0.49 H new ATOM 0 HD12 ILE A 88 2.458 6.551 1.846 1.00 0.49 H new ATOM 0 HD13 ILE A 88 3.832 7.554 1.323 1.00 0.49 H new ATOM 416 N LEU A 89 5.569 4.648 5.847 1.00 0.39 N ATOM 417 CA LEU A 89 6.003 4.900 7.249 1.00 0.49 C ATOM 418 C LEU A 89 7.339 4.183 7.496 1.00 0.53 C ATOM 419 O LEU A 89 8.268 4.751 8.033 1.00 0.62 O ATOM 420 CB LEU A 89 4.899 4.400 8.209 1.00 0.53 C ATOM 421 CG LEU A 89 5.460 3.427 9.254 1.00 0.59 C ATOM 422 CD1 LEU A 89 6.445 4.164 10.164 1.00 0.68 C ATOM 423 CD2 LEU A 89 4.311 2.867 10.097 1.00 0.65 C ATOM 0 H LEU A 89 4.650 4.217 5.750 1.00 0.39 H new ATOM 0 HA LEU A 89 6.154 5.965 7.426 1.00 0.49 H new ATOM 0 HB2 LEU A 89 4.440 5.251 8.712 1.00 0.53 H new ATOM 0 HB3 LEU A 89 4.113 3.907 7.636 1.00 0.53 H new ATOM 0 HG LEU A 89 5.975 2.610 8.748 1.00 0.59 H new ATOM 0 HD11 LEU A 89 6.843 3.472 10.906 1.00 0.68 H new ATOM 0 HD12 LEU A 89 7.263 4.564 9.566 1.00 0.68 H new ATOM 0 HD13 LEU A 89 5.931 4.982 10.670 1.00 0.68 H new ATOM 0 HD21 LEU A 89 4.708 2.175 10.840 1.00 0.65 H new ATOM 0 HD22 LEU A 89 3.797 3.685 10.601 1.00 0.65 H new ATOM 0 HD23 LEU A 89 3.608 2.341 9.451 1.00 0.65 H new ATOM 435 N LEU A 90 7.439 2.942 7.103 1.00 0.49 N ATOM 436 CA LEU A 90 8.714 2.196 7.311 1.00 0.57 C ATOM 437 C LEU A 90 9.854 2.958 6.637 1.00 0.60 C ATOM 438 O LEU A 90 10.903 3.167 7.214 1.00 0.71 O ATOM 439 CB LEU A 90 8.600 0.798 6.696 1.00 0.56 C ATOM 440 CG LEU A 90 7.780 -0.101 7.622 1.00 1.24 C ATOM 441 CD1 LEU A 90 7.187 -1.261 6.818 1.00 1.76 C ATOM 442 CD2 LEU A 90 8.685 -0.659 8.724 1.00 1.92 C ATOM 0 H LEU A 90 6.695 2.413 6.648 1.00 0.49 H new ATOM 0 HA LEU A 90 8.913 2.103 8.379 1.00 0.57 H new ATOM 0 HB2 LEU A 90 8.126 0.858 5.716 1.00 0.56 H new ATOM 0 HB3 LEU A 90 9.593 0.374 6.545 1.00 0.56 H new ATOM 0 HG LEU A 90 6.974 0.481 8.070 1.00 1.24 H new ATOM 0 HD11 LEU A 90 6.603 -1.901 7.479 1.00 1.76 H new ATOM 0 HD12 LEU A 90 6.543 -0.867 6.032 1.00 1.76 H new ATOM 0 HD13 LEU A 90 7.993 -1.842 6.369 1.00 1.76 H new ATOM 0 HD21 LEU A 90 8.101 -1.300 9.385 1.00 1.92 H new ATOM 0 HD22 LEU A 90 9.491 -1.239 8.274 1.00 1.92 H new ATOM 0 HD23 LEU A 90 9.108 0.165 9.299 1.00 1.92 H new ATOM 454 N ILE A 91 9.655 3.382 5.420 1.00 0.55 N ATOM 455 CA ILE A 91 10.723 4.138 4.710 1.00 0.65 C ATOM 456 C ILE A 91 11.103 5.362 5.537 1.00 0.75 C ATOM 457 O ILE A 91 12.265 5.640 5.747 1.00 0.87 O ATOM 458 CB ILE A 91 10.215 4.580 3.338 1.00 0.63 C ATOM 459 CG1 ILE A 91 9.918 3.346 2.484 1.00 0.58 C ATOM 460 CG2 ILE A 91 11.282 5.430 2.649 1.00 0.75 C ATOM 461 CD1 ILE A 91 9.549 3.783 1.065 1.00 0.66 C ATOM 0 H ILE A 91 8.798 3.237 4.886 1.00 0.55 H new ATOM 0 HA ILE A 91 11.597 3.501 4.577 1.00 0.65 H new ATOM 0 HB ILE A 91 9.305 5.167 3.459 1.00 0.63 H new ATOM 0 HG12 ILE A 91 10.788 2.690 2.459 1.00 0.58 H new ATOM 0 HG13 ILE A 91 9.101 2.775 2.924 1.00 0.58 H new ATOM 0 HG21 ILE A 91 10.920 5.745 1.670 1.00 0.75 H new ATOM 0 HG22 ILE A 91 11.496 6.309 3.257 1.00 0.75 H new ATOM 0 HG23 ILE A 91 12.192 4.843 2.527 1.00 0.75 H new ATOM 0 HD11 ILE A 91 9.337 2.903 0.457 1.00 0.66 H new ATOM 0 HD12 ILE A 91 8.666 4.422 1.099 1.00 0.66 H new ATOM 0 HD13 ILE A 91 10.380 4.336 0.627 1.00 0.66 H new ATOM 473 N SER A 92 10.137 6.098 6.015 1.00 0.73 N ATOM 474 CA SER A 92 10.473 7.296 6.829 1.00 0.87 C ATOM 475 C SER A 92 11.336 6.854 8.011 1.00 0.94 C ATOM 476 O SER A 92 12.365 7.437 8.291 1.00 1.07 O ATOM 477 CB SER A 92 9.187 7.941 7.344 1.00 0.86 C ATOM 478 OG SER A 92 8.086 7.470 6.579 1.00 1.29 O ATOM 0 H SER A 92 9.141 5.923 5.878 1.00 0.73 H new ATOM 0 HA SER A 92 11.015 8.021 6.222 1.00 0.87 H new ATOM 0 HB2 SER A 92 9.042 7.700 8.397 1.00 0.86 H new ATOM 0 HB3 SER A 92 9.257 9.026 7.272 1.00 0.86 H new ATOM 0 HG SER A 92 7.259 7.881 6.908 1.00 1.29 H new ATOM 484 N TYR A 93 10.939 5.816 8.696 1.00 0.89 N ATOM 485 CA TYR A 93 11.759 5.335 9.843 1.00 1.00 C ATOM 486 C TYR A 93 13.170 5.012 9.343 1.00 1.05 C ATOM 487 O TYR A 93 14.156 5.423 9.923 1.00 1.18 O ATOM 488 CB TYR A 93 11.126 4.070 10.427 1.00 0.96 C ATOM 489 CG TYR A 93 10.759 4.307 11.873 1.00 1.27 C ATOM 490 CD1 TYR A 93 11.714 4.813 12.763 1.00 1.62 C ATOM 491 CD2 TYR A 93 9.465 4.020 12.324 1.00 2.13 C ATOM 492 CE1 TYR A 93 11.375 5.032 14.103 1.00 1.95 C ATOM 493 CE2 TYR A 93 9.126 4.238 13.664 1.00 2.53 C ATOM 494 CZ TYR A 93 10.080 4.744 14.554 1.00 2.15 C ATOM 495 OH TYR A 93 9.746 4.961 15.875 1.00 2.64 O ATOM 0 H TYR A 93 10.088 5.284 8.512 1.00 0.89 H new ATOM 0 HA TYR A 93 11.805 6.105 10.613 1.00 1.00 H new ATOM 0 HB2 TYR A 93 10.238 3.799 9.856 1.00 0.96 H new ATOM 0 HB3 TYR A 93 11.822 3.235 10.350 1.00 0.96 H new ATOM 0 HD1 TYR A 93 12.712 5.034 12.415 1.00 1.62 H new ATOM 0 HD2 TYR A 93 8.728 3.630 11.637 1.00 2.13 H new ATOM 0 HE1 TYR A 93 12.111 5.423 14.789 1.00 1.95 H new ATOM 0 HE2 TYR A 93 8.128 4.016 14.011 1.00 2.53 H new ATOM 0 HH TYR A 93 8.810 4.711 16.021 1.00 2.64 H new ATOM 505 N GLY A 94 13.273 4.290 8.255 1.00 0.97 N ATOM 506 CA GLY A 94 14.615 3.956 7.704 1.00 1.05 C ATOM 507 C GLY A 94 15.377 5.249 7.421 1.00 1.16 C ATOM 508 O GLY A 94 16.528 5.398 7.778 1.00 1.29 O ATOM 0 H GLY A 94 12.483 3.919 7.727 1.00 0.97 H new ATOM 0 HA2 GLY A 94 15.169 3.341 8.412 1.00 1.05 H new ATOM 0 HA3 GLY A 94 14.511 3.373 6.789 1.00 1.05 H new ATOM 512 N ILE A 95 14.735 6.188 6.780 1.00 1.14 N ATOM 513 CA ILE A 95 15.417 7.479 6.472 1.00 1.29 C ATOM 514 C ILE A 95 15.914 8.109 7.778 1.00 1.41 C ATOM 515 O ILE A 95 17.044 8.543 7.872 1.00 1.55 O ATOM 516 CB ILE A 95 14.438 8.429 5.759 1.00 1.28 C ATOM 517 CG1 ILE A 95 14.411 8.099 4.264 1.00 1.74 C ATOM 518 CG2 ILE A 95 14.887 9.884 5.939 1.00 1.77 C ATOM 519 CD1 ILE A 95 12.966 7.888 3.809 1.00 2.19 C ATOM 0 H ILE A 95 13.770 6.118 6.457 1.00 1.14 H new ATOM 0 HA ILE A 95 16.267 7.299 5.814 1.00 1.29 H new ATOM 0 HB ILE A 95 13.445 8.302 6.190 1.00 1.28 H new ATOM 0 HG12 ILE A 95 14.867 8.909 3.695 1.00 1.74 H new ATOM 0 HG13 ILE A 95 14.999 7.202 4.069 1.00 1.74 H new ATOM 0 HG21 ILE A 95 14.187 10.546 5.430 1.00 1.77 H new ATOM 0 HG22 ILE A 95 14.912 10.128 7.001 1.00 1.77 H new ATOM 0 HG23 ILE A 95 15.882 10.013 5.514 1.00 1.77 H new ATOM 0 HD11 ILE A 95 12.950 7.653 2.745 1.00 2.19 H new ATOM 0 HD12 ILE A 95 12.525 7.063 4.369 1.00 2.19 H new ATOM 0 HD13 ILE A 95 12.392 8.797 3.989 1.00 2.19 H new ATOM 531 N ARG A 96 15.084 8.157 8.787 1.00 1.37 N ATOM 532 CA ARG A 96 15.519 8.759 10.080 1.00 1.51 C ATOM 533 C ARG A 96 16.768 8.032 10.574 1.00 1.58 C ATOM 534 O ARG A 96 17.738 8.641 10.975 1.00 1.73 O ATOM 535 CB ARG A 96 14.399 8.620 11.115 1.00 1.46 C ATOM 536 CG ARG A 96 14.902 9.079 12.486 1.00 1.73 C ATOM 537 CD ARG A 96 14.416 8.098 13.553 1.00 2.03 C ATOM 538 NE ARG A 96 12.950 7.880 13.391 1.00 2.00 N ATOM 539 CZ ARG A 96 12.168 8.877 13.075 1.00 2.45 C ATOM 540 NH1 ARG A 96 11.928 9.821 13.944 1.00 2.76 N ATOM 541 NH2 ARG A 96 11.626 8.930 11.888 1.00 3.14 N ATOM 0 H ARG A 96 14.126 7.806 8.771 1.00 1.37 H new ATOM 0 HA ARG A 96 15.743 9.816 9.936 1.00 1.51 H new ATOM 0 HB2 ARG A 96 13.538 9.217 10.815 1.00 1.46 H new ATOM 0 HB3 ARG A 96 14.066 7.583 11.168 1.00 1.46 H new ATOM 0 HG2 ARG A 96 15.991 9.129 12.489 1.00 1.73 H new ATOM 0 HG3 ARG A 96 14.536 10.083 12.704 1.00 1.73 H new ATOM 0 HD2 ARG A 96 14.948 7.151 13.462 1.00 2.03 H new ATOM 0 HD3 ARG A 96 14.629 8.490 14.548 1.00 2.03 H new ATOM 0 HE ARG A 96 12.556 6.949 13.527 1.00 2.00 H new ATOM 0 HH11 ARG A 96 12.351 9.780 14.871 1.00 2.76 H new ATOM 0 HH12 ARG A 96 11.317 10.599 13.696 1.00 2.76 H new ATOM 0 HH21 ARG A 96 11.814 8.193 11.208 1.00 3.14 H new ATOM 0 HH22 ARG A 96 11.015 9.708 11.641 1.00 3.14 H new ATOM 555 N ARG A 97 16.759 6.733 10.547 1.00 1.50 N ATOM 556 CA ARG A 97 17.956 5.986 11.011 1.00 1.59 C ATOM 557 C ARG A 97 19.174 6.434 10.201 1.00 1.69 C ATOM 558 O ARG A 97 20.226 6.704 10.743 1.00 1.84 O ATOM 559 CB ARG A 97 17.732 4.484 10.827 1.00 1.50 C ATOM 560 CG ARG A 97 19.018 3.731 11.173 1.00 1.77 C ATOM 561 CD ARG A 97 19.752 3.353 9.885 1.00 2.23 C ATOM 562 NE ARG A 97 21.212 3.238 10.160 1.00 2.70 N ATOM 563 CZ ARG A 97 21.993 2.642 9.299 1.00 3.07 C ATOM 564 NH1 ARG A 97 22.093 3.101 8.082 1.00 3.56 N ATOM 565 NH2 ARG A 97 22.671 1.586 9.656 1.00 3.58 N ATOM 0 H ARG A 97 15.980 6.158 10.226 1.00 1.50 H new ATOM 0 HA ARG A 97 18.128 6.190 12.068 1.00 1.59 H new ATOM 0 HB2 ARG A 97 16.917 4.146 11.467 1.00 1.50 H new ATOM 0 HB3 ARG A 97 17.439 4.272 9.799 1.00 1.50 H new ATOM 0 HG2 ARG A 97 19.658 4.352 11.800 1.00 1.77 H new ATOM 0 HG3 ARG A 97 18.784 2.834 11.747 1.00 1.77 H new ATOM 0 HD2 ARG A 97 19.368 2.409 9.499 1.00 2.23 H new ATOM 0 HD3 ARG A 97 19.574 4.107 9.118 1.00 2.23 H new ATOM 0 HE ARG A 97 21.601 3.624 11.020 1.00 2.70 H new ATOM 0 HH11 ARG A 97 21.561 3.925 7.803 1.00 3.56 H new ATOM 0 HH12 ARG A 97 22.703 2.636 7.410 1.00 3.56 H new ATOM 0 HH21 ARG A 97 22.591 1.226 10.607 1.00 3.58 H new ATOM 0 HH22 ARG A 97 23.281 1.120 8.984 1.00 3.58 H new ATOM 579 N LEU A 98 19.042 6.513 8.905 1.00 1.64 N ATOM 580 CA LEU A 98 20.196 6.942 8.066 1.00 1.75 C ATOM 581 C LEU A 98 20.684 8.314 8.539 1.00 1.91 C ATOM 582 O LEU A 98 21.864 8.530 8.727 1.00 2.05 O ATOM 583 CB LEU A 98 19.760 7.030 6.602 1.00 1.69 C ATOM 584 CG LEU A 98 19.929 5.664 5.936 1.00 2.11 C ATOM 585 CD1 LEU A 98 18.794 5.440 4.934 1.00 2.66 C ATOM 586 CD2 LEU A 98 21.271 5.618 5.201 1.00 2.38 C ATOM 0 H LEU A 98 18.187 6.299 8.392 1.00 1.64 H new ATOM 0 HA LEU A 98 21.004 6.216 8.158 1.00 1.75 H new ATOM 0 HB2 LEU A 98 18.720 7.350 6.540 1.00 1.69 H new ATOM 0 HB3 LEU A 98 20.356 7.778 6.078 1.00 1.69 H new ATOM 0 HG LEU A 98 19.902 4.884 6.697 1.00 2.11 H new ATOM 0 HD11 LEU A 98 18.915 4.466 4.459 1.00 2.66 H new ATOM 0 HD12 LEU A 98 17.837 5.474 5.455 1.00 2.66 H new ATOM 0 HD13 LEU A 98 18.821 6.220 4.173 1.00 2.66 H new ATOM 0 HD21 LEU A 98 21.392 4.645 4.726 1.00 2.38 H new ATOM 0 HD22 LEU A 98 21.296 6.399 4.441 1.00 2.38 H new ATOM 0 HD23 LEU A 98 22.081 5.778 5.912 1.00 2.38 H new ATOM 598 N ILE A 99 19.787 9.243 8.743 1.00 1.90 N ATOM 599 CA ILE A 99 20.209 10.589 9.215 1.00 2.06 C ATOM 600 C ILE A 99 20.401 10.539 10.736 1.00 2.14 C ATOM 601 O ILE A 99 21.216 9.790 11.235 1.00 2.20 O ATOM 602 CB ILE A 99 19.132 11.613 8.843 1.00 2.05 C ATOM 603 CG1 ILE A 99 17.763 11.099 9.299 1.00 1.98 C ATOM 604 CG2 ILE A 99 19.121 11.814 7.325 1.00 2.03 C ATOM 605 CD1 ILE A 99 16.827 12.283 9.548 1.00 2.00 C ATOM 0 H ILE A 99 18.784 9.126 8.603 1.00 1.90 H new ATOM 0 HA ILE A 99 21.148 10.882 8.745 1.00 2.06 H new ATOM 0 HB ILE A 99 19.347 12.562 9.333 1.00 2.05 H new ATOM 0 HG12 ILE A 99 17.339 10.441 8.540 1.00 1.98 H new ATOM 0 HG13 ILE A 99 17.870 10.509 10.209 1.00 1.98 H new ATOM 0 HG21 ILE A 99 18.355 12.543 7.060 1.00 2.03 H new ATOM 0 HG22 ILE A 99 20.096 12.177 6.999 1.00 2.03 H new ATOM 0 HG23 ILE A 99 18.905 10.865 6.834 1.00 2.03 H new ATOM 0 HD11 ILE A 99 15.854 11.915 9.872 1.00 2.00 H new ATOM 0 HD12 ILE A 99 17.249 12.924 10.322 1.00 2.00 H new ATOM 0 HD13 ILE A 99 16.711 12.855 8.627 1.00 2.00 H new ATOM 617 N LYS A 100 19.657 11.310 11.487 1.00 2.35 N ATOM 618 CA LYS A 100 19.812 11.271 12.967 1.00 2.45 C ATOM 619 C LYS A 100 21.236 11.685 13.348 1.00 2.85 C ATOM 620 O LYS A 100 22.194 11.334 12.688 1.00 3.21 O ATOM 621 CB LYS A 100 19.540 9.847 13.454 1.00 2.30 C ATOM 622 CG LYS A 100 19.273 9.859 14.959 1.00 2.60 C ATOM 623 CD LYS A 100 19.242 8.421 15.482 1.00 2.94 C ATOM 624 CE LYS A 100 17.812 7.884 15.417 1.00 3.56 C ATOM 625 NZ LYS A 100 17.636 7.088 14.169 1.00 3.91 N ATOM 0 H LYS A 100 18.953 11.961 11.139 1.00 2.35 H new ATOM 0 HA LYS A 100 19.107 11.961 13.431 1.00 2.45 H new ATOM 0 HB2 LYS A 100 18.683 9.429 12.926 1.00 2.30 H new ATOM 0 HB3 LYS A 100 20.394 9.207 13.232 1.00 2.30 H new ATOM 0 HG2 LYS A 100 20.048 10.428 15.472 1.00 2.60 H new ATOM 0 HG3 LYS A 100 18.324 10.354 15.167 1.00 2.60 H new ATOM 0 HD2 LYS A 100 19.905 7.792 14.887 1.00 2.94 H new ATOM 0 HD3 LYS A 100 19.607 8.388 16.508 1.00 2.94 H new ATOM 0 HE2 LYS A 100 17.605 7.263 16.289 1.00 3.56 H new ATOM 0 HE3 LYS A 100 17.101 8.710 15.438 1.00 3.56 H new ATOM 0 HZ1 LYS A 100 16.806 6.469 14.266 1.00 3.91 H new ATOM 0 HZ2 LYS A 100 17.496 7.731 13.364 1.00 3.91 H new ATOM 0 HZ3 LYS A 100 18.483 6.508 14.005 1.00 3.91 H new ATOM 639 N LYS A 101 21.382 12.430 14.411 1.00 3.09 N ATOM 640 CA LYS A 101 22.743 12.867 14.838 1.00 3.63 C ATOM 641 C LYS A 101 23.349 13.772 13.764 1.00 4.10 C ATOM 642 O LYS A 101 22.586 14.374 13.025 1.00 4.56 O ATOM 643 CB LYS A 101 23.636 11.640 15.033 1.00 3.99 C ATOM 644 CG LYS A 101 23.883 11.419 16.528 1.00 4.58 C ATOM 645 CD LYS A 101 25.108 10.521 16.717 1.00 5.25 C ATOM 646 CE LYS A 101 25.079 9.903 18.116 1.00 6.09 C ATOM 647 NZ LYS A 101 25.550 8.491 18.042 1.00 6.53 N ATOM 648 OXT LYS A 101 24.565 13.849 13.699 1.00 4.44 O ATOM 0 H LYS A 101 20.617 12.755 15.002 1.00 3.09 H new ATOM 0 HA LYS A 101 22.669 13.416 15.777 1.00 3.63 H new ATOM 0 HB2 LYS A 101 23.162 10.760 14.598 1.00 3.99 H new ATOM 0 HB3 LYS A 101 24.584 11.781 14.514 1.00 3.99 H new ATOM 0 HG2 LYS A 101 24.040 12.376 17.027 1.00 4.58 H new ATOM 0 HG3 LYS A 101 23.008 10.960 16.988 1.00 4.58 H new ATOM 0 HD2 LYS A 101 25.116 9.735 15.961 1.00 5.25 H new ATOM 0 HD3 LYS A 101 26.021 11.101 16.583 1.00 5.25 H new ATOM 0 HE2 LYS A 101 25.715 10.475 18.792 1.00 6.09 H new ATOM 0 HE3 LYS A 101 24.068 9.940 18.521 1.00 6.09 H new ATOM 0 HZ1 LYS A 101 25.531 8.069 18.992 1.00 6.53 H new ATOM 0 HZ2 LYS A 101 24.926 7.950 17.410 1.00 6.53 H new ATOM 0 HZ3 LYS A 101 26.522 8.468 17.672 1.00 6.53 H new TER 662 LYS A 101 ATOM 663 N VAL B 62 -35.501 -11.474 -7.606 1.00 19.64 N ATOM 664 CA VAL B 62 -35.619 -12.852 -7.055 1.00 19.45 C ATOM 665 C VAL B 62 -34.433 -13.134 -6.130 1.00 18.79 C ATOM 666 O VAL B 62 -34.590 -13.666 -5.049 1.00 19.02 O ATOM 667 CB VAL B 62 -35.621 -13.862 -8.204 1.00 19.77 C ATOM 668 CG1 VAL B 62 -35.439 -15.276 -7.645 1.00 20.22 C ATOM 669 CG2 VAL B 62 -36.954 -13.779 -8.952 1.00 19.99 C ATOM 0 HA VAL B 62 -36.548 -12.940 -6.492 1.00 19.45 H new ATOM 0 HB VAL B 62 -34.803 -13.634 -8.888 1.00 19.77 H new ATOM 0 HG11 VAL B 62 -35.441 -15.994 -8.465 1.00 20.22 H new ATOM 0 HG12 VAL B 62 -34.491 -15.337 -7.111 1.00 20.22 H new ATOM 0 HG13 VAL B 62 -36.256 -15.505 -6.961 1.00 20.22 H new ATOM 0 HG21 VAL B 62 -36.957 -14.498 -9.771 1.00 19.99 H new ATOM 0 HG22 VAL B 62 -37.771 -14.006 -8.267 1.00 19.99 H new ATOM 0 HG23 VAL B 62 -37.085 -12.773 -9.352 1.00 19.99 H new ATOM 681 N GLN B 63 -33.248 -12.781 -6.547 1.00 18.10 N ATOM 682 CA GLN B 63 -32.054 -13.031 -5.692 1.00 17.56 C ATOM 683 C GLN B 63 -30.831 -12.354 -6.316 1.00 16.86 C ATOM 684 O GLN B 63 -30.837 -11.986 -7.473 1.00 16.59 O ATOM 685 CB GLN B 63 -31.806 -14.538 -5.594 1.00 17.30 C ATOM 686 CG GLN B 63 -31.924 -15.166 -6.985 1.00 17.01 C ATOM 687 CD GLN B 63 -30.591 -15.027 -7.722 1.00 16.75 C ATOM 688 OE1 GLN B 63 -29.603 -15.618 -7.333 1.00 17.03 O ATOM 689 NE2 GLN B 63 -30.521 -14.264 -8.779 1.00 16.36 N ATOM 0 H GLN B 63 -33.055 -12.331 -7.442 1.00 18.10 H new ATOM 0 HA GLN B 63 -32.227 -12.624 -4.696 1.00 17.56 H new ATOM 0 HB2 GLN B 63 -30.816 -14.728 -5.180 1.00 17.30 H new ATOM 0 HB3 GLN B 63 -32.528 -14.993 -4.916 1.00 17.30 H new ATOM 0 HG2 GLN B 63 -32.196 -16.218 -6.899 1.00 17.01 H new ATOM 0 HG3 GLN B 63 -32.717 -14.677 -7.550 1.00 17.01 H new ATOM 0 HE21 GLN B 63 -31.350 -13.768 -9.106 1.00 16.36 H new ATOM 0 HE22 GLN B 63 -29.637 -14.164 -9.278 1.00 16.36 H new ATOM 698 N LEU B 64 -29.784 -12.185 -5.556 1.00 16.69 N ATOM 699 CA LEU B 64 -28.563 -11.532 -6.105 1.00 16.15 C ATOM 700 C LEU B 64 -27.342 -12.404 -5.816 1.00 15.61 C ATOM 701 O LEU B 64 -26.394 -11.971 -5.190 1.00 15.57 O ATOM 702 CB LEU B 64 -28.371 -10.170 -5.439 1.00 16.73 C ATOM 703 CG LEU B 64 -28.502 -9.064 -6.487 1.00 16.88 C ATOM 704 CD1 LEU B 64 -29.867 -9.165 -7.170 1.00 17.47 C ATOM 705 CD2 LEU B 64 -28.374 -7.699 -5.806 1.00 17.27 C ATOM 0 H LEU B 64 -29.722 -12.471 -4.579 1.00 16.69 H new ATOM 0 HA LEU B 64 -28.677 -11.404 -7.181 1.00 16.15 H new ATOM 0 HB2 LEU B 64 -29.113 -10.030 -4.653 1.00 16.73 H new ATOM 0 HB3 LEU B 64 -27.391 -10.121 -4.964 1.00 16.73 H new ATOM 0 HG LEU B 64 -27.714 -9.176 -7.232 1.00 16.88 H new ATOM 0 HD11 LEU B 64 -29.959 -8.376 -7.917 1.00 17.47 H new ATOM 0 HD12 LEU B 64 -29.960 -10.137 -7.655 1.00 17.47 H new ATOM 0 HD13 LEU B 64 -30.655 -9.054 -6.426 1.00 17.47 H new ATOM 0 HD21 LEU B 64 -28.467 -6.910 -6.552 1.00 17.27 H new ATOM 0 HD22 LEU B 64 -29.162 -7.589 -5.061 1.00 17.27 H new ATOM 0 HD23 LEU B 64 -27.402 -7.625 -5.319 1.00 17.27 H new ATOM 717 N ALA B 65 -27.352 -13.629 -6.260 1.00 15.34 N ATOM 718 CA ALA B 65 -26.185 -14.515 -5.999 1.00 14.99 C ATOM 719 C ALA B 65 -25.237 -14.478 -7.198 1.00 14.10 C ATOM 720 O ALA B 65 -24.581 -15.451 -7.514 1.00 13.96 O ATOM 721 CB ALA B 65 -26.672 -15.949 -5.776 1.00 15.58 C ATOM 0 H ALA B 65 -28.113 -14.053 -6.790 1.00 15.34 H new ATOM 0 HA ALA B 65 -25.658 -14.168 -5.110 1.00 14.99 H new ATOM 0 HB1 ALA B 65 -25.817 -16.598 -5.585 1.00 15.58 H new ATOM 0 HB2 ALA B 65 -27.346 -15.975 -4.920 1.00 15.58 H new ATOM 0 HB3 ALA B 65 -27.200 -16.296 -6.664 1.00 15.58 H new ATOM 727 N HIS B 66 -25.153 -13.360 -7.867 1.00 13.65 N ATOM 728 CA HIS B 66 -24.243 -13.261 -9.043 1.00 12.91 C ATOM 729 C HIS B 66 -22.936 -12.590 -8.615 1.00 12.30 C ATOM 730 O HIS B 66 -22.842 -12.018 -7.547 1.00 12.38 O ATOM 731 CB HIS B 66 -24.913 -12.429 -10.139 1.00 12.96 C ATOM 732 CG HIS B 66 -26.250 -13.028 -10.478 1.00 13.34 C ATOM 733 ND1 HIS B 66 -26.371 -14.248 -11.124 1.00 13.54 N ATOM 734 CD2 HIS B 66 -27.533 -12.588 -10.266 1.00 13.74 C ATOM 735 CE1 HIS B 66 -27.684 -14.497 -11.278 1.00 14.03 C ATOM 736 NE2 HIS B 66 -28.438 -13.516 -10.772 1.00 14.18 N ATOM 0 H HIS B 66 -25.675 -12.511 -7.650 1.00 13.65 H new ATOM 0 HA HIS B 66 -24.031 -14.259 -9.427 1.00 12.91 H new ATOM 0 HB2 HIS B 66 -25.039 -11.400 -9.803 1.00 12.96 H new ATOM 0 HB3 HIS B 66 -24.280 -12.400 -11.026 1.00 12.96 H new ATOM 0 HD1 HIS B 66 -25.604 -14.848 -11.428 1.00 13.54 H new ATOM 0 HD2 HIS B 66 -27.800 -11.661 -9.780 1.00 13.74 H new ATOM 0 HE1 HIS B 66 -28.081 -15.382 -11.753 1.00 14.03 H new ATOM 744 N HIS B 67 -21.925 -12.656 -9.437 1.00 11.87 N ATOM 745 CA HIS B 67 -20.627 -12.023 -9.072 1.00 11.46 C ATOM 746 C HIS B 67 -20.159 -12.572 -7.721 1.00 10.55 C ATOM 747 O HIS B 67 -20.193 -11.888 -6.717 1.00 10.53 O ATOM 748 CB HIS B 67 -20.808 -10.507 -8.970 1.00 11.84 C ATOM 749 CG HIS B 67 -20.423 -9.865 -10.275 1.00 12.35 C ATOM 750 ND1 HIS B 67 -20.260 -8.494 -10.404 1.00 12.68 N ATOM 751 CD2 HIS B 67 -20.165 -10.391 -11.516 1.00 12.80 C ATOM 752 CE1 HIS B 67 -19.919 -8.244 -11.682 1.00 13.29 C ATOM 753 NE2 HIS B 67 -19.847 -9.366 -12.403 1.00 13.39 N ATOM 0 H HIS B 67 -21.942 -13.121 -10.345 1.00 11.87 H new ATOM 0 HA HIS B 67 -19.884 -12.248 -9.837 1.00 11.46 H new ATOM 0 HB2 HIS B 67 -21.844 -10.270 -8.728 1.00 11.84 H new ATOM 0 HB3 HIS B 67 -20.193 -10.110 -8.162 1.00 11.84 H new ATOM 0 HD2 HIS B 67 -20.203 -11.441 -11.767 1.00 12.80 H new ATOM 0 HE1 HIS B 67 -19.727 -7.257 -12.076 1.00 13.29 H new ATOM 0 HE2 HIS B 67 -19.610 -9.453 -13.391 1.00 13.39 H new ATOM 761 N PHE B 68 -19.723 -13.802 -7.689 1.00 10.00 N ATOM 762 CA PHE B 68 -19.256 -14.395 -6.404 1.00 9.29 C ATOM 763 C PHE B 68 -18.100 -13.563 -5.842 1.00 8.27 C ATOM 764 O PHE B 68 -17.815 -12.481 -6.315 1.00 8.29 O ATOM 765 CB PHE B 68 -18.780 -15.829 -6.647 1.00 9.52 C ATOM 766 CG PHE B 68 -18.041 -15.899 -7.962 1.00 10.43 C ATOM 767 CD1 PHE B 68 -16.833 -15.208 -8.124 1.00 10.86 C ATOM 768 CD2 PHE B 68 -18.560 -16.658 -9.017 1.00 11.07 C ATOM 769 CE1 PHE B 68 -16.147 -15.276 -9.343 1.00 11.86 C ATOM 770 CE2 PHE B 68 -17.874 -16.725 -10.236 1.00 12.06 C ATOM 771 CZ PHE B 68 -16.666 -16.035 -10.398 1.00 12.43 C ATOM 0 H PHE B 68 -19.670 -14.422 -8.497 1.00 10.00 H new ATOM 0 HA PHE B 68 -20.079 -14.400 -5.689 1.00 9.29 H new ATOM 0 HB2 PHE B 68 -18.128 -16.150 -5.834 1.00 9.52 H new ATOM 0 HB3 PHE B 68 -19.632 -16.509 -6.660 1.00 9.52 H new ATOM 0 HD1 PHE B 68 -16.431 -14.623 -7.310 1.00 10.86 H new ATOM 0 HD2 PHE B 68 -19.490 -17.192 -8.891 1.00 11.07 H new ATOM 0 HE1 PHE B 68 -15.217 -14.742 -9.469 1.00 11.86 H new ATOM 0 HE2 PHE B 68 -18.276 -17.309 -11.051 1.00 12.06 H new ATOM 0 HZ PHE B 68 -16.135 -16.089 -11.337 1.00 12.43 H new ATOM 781 N SER B 69 -17.434 -14.061 -4.836 1.00 7.61 N ATOM 782 CA SER B 69 -16.299 -13.299 -4.242 1.00 6.80 C ATOM 783 C SER B 69 -15.518 -14.206 -3.287 1.00 5.60 C ATOM 784 O SER B 69 -15.644 -15.413 -3.322 1.00 5.39 O ATOM 785 CB SER B 69 -16.842 -12.094 -3.473 1.00 7.36 C ATOM 786 OG SER B 69 -17.261 -12.513 -2.180 1.00 8.12 O ATOM 0 H SER B 69 -17.627 -14.963 -4.400 1.00 7.61 H new ATOM 0 HA SER B 69 -15.637 -12.955 -5.037 1.00 6.80 H new ATOM 0 HB2 SER B 69 -16.073 -11.326 -3.388 1.00 7.36 H new ATOM 0 HB3 SER B 69 -17.678 -11.650 -4.013 1.00 7.36 H new ATOM 0 HG SER B 69 -17.608 -11.743 -1.683 1.00 8.12 H new ATOM 792 N GLU B 70 -14.712 -13.633 -2.434 1.00 5.12 N ATOM 793 CA GLU B 70 -13.924 -14.466 -1.479 1.00 4.22 C ATOM 794 C GLU B 70 -14.196 -13.988 -0.047 1.00 3.04 C ATOM 795 O GLU B 70 -14.853 -12.986 0.153 1.00 3.18 O ATOM 796 CB GLU B 70 -12.422 -14.339 -1.783 1.00 4.88 C ATOM 797 CG GLU B 70 -12.210 -13.765 -3.189 1.00 5.77 C ATOM 798 CD GLU B 70 -10.837 -14.190 -3.711 1.00 6.71 C ATOM 799 OE1 GLU B 70 -10.316 -15.176 -3.215 1.00 7.09 O ATOM 800 OE2 GLU B 70 -10.331 -13.525 -4.599 1.00 7.29 O ATOM 0 H GLU B 70 -14.565 -12.627 -2.357 1.00 5.12 H new ATOM 0 HA GLU B 70 -14.221 -15.509 -1.584 1.00 4.22 H new ATOM 0 HB2 GLU B 70 -11.948 -13.693 -1.044 1.00 4.88 H new ATOM 0 HB3 GLU B 70 -11.945 -15.316 -1.706 1.00 4.88 H new ATOM 0 HG2 GLU B 70 -12.992 -14.120 -3.860 1.00 5.77 H new ATOM 0 HG3 GLU B 70 -12.281 -12.678 -3.164 1.00 5.77 H new ATOM 807 N PRO B 71 -13.681 -14.723 0.907 1.00 2.28 N ATOM 808 CA PRO B 71 -13.856 -14.393 2.334 1.00 1.48 C ATOM 809 C PRO B 71 -13.320 -12.987 2.627 1.00 1.33 C ATOM 810 O PRO B 71 -12.247 -12.615 2.195 1.00 1.29 O ATOM 811 CB PRO B 71 -13.047 -15.458 3.086 1.00 2.00 C ATOM 812 CG PRO B 71 -12.503 -16.461 2.035 1.00 2.71 C ATOM 813 CD PRO B 71 -12.885 -15.934 0.644 1.00 2.87 C ATOM 0 HA PRO B 71 -14.904 -14.392 2.635 1.00 1.48 H new ATOM 0 HB2 PRO B 71 -12.227 -14.998 3.637 1.00 2.00 H new ATOM 0 HB3 PRO B 71 -13.674 -15.970 3.816 1.00 2.00 H new ATOM 0 HG2 PRO B 71 -11.421 -16.558 2.123 1.00 2.71 H new ATOM 0 HG3 PRO B 71 -12.926 -17.452 2.198 1.00 2.71 H new ATOM 0 HD2 PRO B 71 -12.000 -15.705 0.051 1.00 2.87 H new ATOM 0 HD3 PRO B 71 -13.460 -16.672 0.085 1.00 2.87 H new ATOM 821 N GLU B 72 -14.071 -12.203 3.351 1.00 1.30 N ATOM 822 CA GLU B 72 -13.627 -10.814 3.669 1.00 1.19 C ATOM 823 C GLU B 72 -12.156 -10.804 4.102 1.00 1.06 C ATOM 824 O GLU B 72 -11.285 -10.420 3.352 1.00 1.01 O ATOM 825 CB GLU B 72 -14.489 -10.234 4.798 1.00 1.29 C ATOM 826 CG GLU B 72 -15.039 -11.363 5.676 1.00 1.90 C ATOM 827 CD GLU B 72 -15.310 -10.830 7.084 1.00 2.25 C ATOM 828 OE1 GLU B 72 -14.532 -10.012 7.546 1.00 2.89 O ATOM 829 OE2 GLU B 72 -16.291 -11.249 7.675 1.00 2.52 O ATOM 0 H GLU B 72 -14.977 -12.465 3.738 1.00 1.30 H new ATOM 0 HA GLU B 72 -13.738 -10.205 2.772 1.00 1.19 H new ATOM 0 HB2 GLU B 72 -13.896 -9.549 5.403 1.00 1.29 H new ATOM 0 HB3 GLU B 72 -15.312 -9.657 4.377 1.00 1.29 H new ATOM 0 HG2 GLU B 72 -15.957 -11.760 5.243 1.00 1.90 H new ATOM 0 HG3 GLU B 72 -14.325 -12.186 5.718 1.00 1.90 H new ATOM 836 N ILE B 73 -11.875 -11.207 5.312 1.00 1.07 N ATOM 837 CA ILE B 73 -10.472 -11.201 5.798 1.00 0.98 C ATOM 838 C ILE B 73 -9.530 -11.737 4.713 1.00 0.89 C ATOM 839 O ILE B 73 -8.432 -11.249 4.543 1.00 0.82 O ATOM 840 CB ILE B 73 -10.386 -12.067 7.060 1.00 1.09 C ATOM 841 CG1 ILE B 73 -8.933 -12.501 7.293 1.00 1.29 C ATOM 842 CG2 ILE B 73 -11.291 -13.295 6.909 1.00 1.27 C ATOM 843 CD1 ILE B 73 -8.601 -13.738 6.451 1.00 2.11 C ATOM 0 H ILE B 73 -12.564 -11.541 5.986 1.00 1.07 H new ATOM 0 HA ILE B 73 -10.167 -10.181 6.033 1.00 0.98 H new ATOM 0 HB ILE B 73 -10.722 -11.487 7.920 1.00 1.09 H new ATOM 0 HG12 ILE B 73 -8.258 -11.686 7.034 1.00 1.29 H new ATOM 0 HG13 ILE B 73 -8.778 -12.720 8.349 1.00 1.29 H new ATOM 0 HG21 ILE B 73 -11.226 -13.907 7.808 1.00 1.27 H new ATOM 0 HG22 ILE B 73 -12.322 -12.972 6.763 1.00 1.27 H new ATOM 0 HG23 ILE B 73 -10.969 -13.880 6.048 1.00 1.27 H new ATOM 0 HD11 ILE B 73 -7.567 -14.032 6.629 1.00 2.11 H new ATOM 0 HD12 ILE B 73 -9.264 -14.557 6.730 1.00 2.11 H new ATOM 0 HD13 ILE B 73 -8.736 -13.506 5.395 1.00 2.11 H new ATOM 855 N THR B 74 -9.940 -12.737 3.986 1.00 0.92 N ATOM 856 CA THR B 74 -9.055 -13.298 2.926 1.00 0.87 C ATOM 857 C THR B 74 -8.794 -12.235 1.855 1.00 0.77 C ATOM 858 O THR B 74 -7.673 -12.024 1.430 1.00 0.69 O ATOM 859 CB THR B 74 -9.728 -14.516 2.294 1.00 0.99 C ATOM 860 OG1 THR B 74 -10.174 -15.390 3.323 1.00 1.57 O ATOM 861 CG2 THR B 74 -8.726 -15.248 1.399 1.00 1.43 C ATOM 0 H THR B 74 -10.849 -13.191 4.079 1.00 0.92 H new ATOM 0 HA THR B 74 -8.105 -13.599 3.368 1.00 0.87 H new ATOM 0 HB THR B 74 -10.578 -14.194 1.693 1.00 0.99 H new ATOM 0 HG1 THR B 74 -9.627 -16.203 3.322 1.00 1.57 H new ATOM 0 HG21 THR B 74 -9.207 -16.116 0.949 1.00 1.43 H new ATOM 0 HG22 THR B 74 -8.381 -14.576 0.613 1.00 1.43 H new ATOM 0 HG23 THR B 74 -7.875 -15.574 1.997 1.00 1.43 H new ATOM 869 N LEU B 75 -9.817 -11.567 1.407 1.00 0.81 N ATOM 870 CA LEU B 75 -9.613 -10.526 0.361 1.00 0.74 C ATOM 871 C LEU B 75 -9.016 -9.270 0.995 1.00 0.62 C ATOM 872 O LEU B 75 -8.071 -8.705 0.484 1.00 0.52 O ATOM 873 CB LEU B 75 -10.953 -10.184 -0.295 1.00 0.87 C ATOM 874 CG LEU B 75 -10.716 -9.763 -1.746 1.00 1.11 C ATOM 875 CD1 LEU B 75 -11.999 -9.163 -2.321 1.00 1.02 C ATOM 876 CD2 LEU B 75 -9.598 -8.719 -1.799 1.00 1.63 C ATOM 0 H LEU B 75 -10.781 -11.694 1.716 1.00 0.81 H new ATOM 0 HA LEU B 75 -8.929 -10.907 -0.397 1.00 0.74 H new ATOM 0 HB2 LEU B 75 -11.618 -11.047 -0.259 1.00 0.87 H new ATOM 0 HB3 LEU B 75 -11.444 -9.380 0.253 1.00 0.87 H new ATOM 0 HG LEU B 75 -10.428 -10.635 -2.333 1.00 1.11 H new ATOM 0 HD11 LEU B 75 -11.829 -8.863 -3.355 1.00 1.02 H new ATOM 0 HD12 LEU B 75 -12.796 -9.906 -2.285 1.00 1.02 H new ATOM 0 HD13 LEU B 75 -12.288 -8.292 -1.734 1.00 1.02 H new ATOM 0 HD21 LEU B 75 -9.429 -8.419 -2.833 1.00 1.63 H new ATOM 0 HD22 LEU B 75 -9.886 -7.848 -1.211 1.00 1.63 H new ATOM 0 HD23 LEU B 75 -8.682 -9.146 -1.391 1.00 1.63 H new ATOM 888 N ILE B 76 -9.555 -8.816 2.094 1.00 0.66 N ATOM 889 CA ILE B 76 -8.994 -7.589 2.722 1.00 0.59 C ATOM 890 C ILE B 76 -7.510 -7.807 3.022 1.00 0.48 C ATOM 891 O ILE B 76 -6.676 -6.990 2.683 1.00 0.39 O ATOM 892 CB ILE B 76 -9.741 -7.299 4.026 1.00 0.70 C ATOM 893 CG1 ILE B 76 -11.239 -7.179 3.737 1.00 0.89 C ATOM 894 CG2 ILE B 76 -9.232 -5.986 4.625 1.00 0.73 C ATOM 895 CD1 ILE B 76 -12.022 -7.260 5.050 1.00 1.02 C ATOM 0 H ILE B 76 -10.349 -9.236 2.578 1.00 0.66 H new ATOM 0 HA ILE B 76 -9.108 -6.745 2.042 1.00 0.59 H new ATOM 0 HB ILE B 76 -9.569 -8.111 4.732 1.00 0.70 H new ATOM 0 HG12 ILE B 76 -11.448 -6.235 3.234 1.00 0.89 H new ATOM 0 HG13 ILE B 76 -11.555 -7.976 3.063 1.00 0.89 H new ATOM 0 HG21 ILE B 76 -9.764 -5.779 5.554 1.00 0.73 H new ATOM 0 HG22 ILE B 76 -8.164 -6.069 4.829 1.00 0.73 H new ATOM 0 HG23 ILE B 76 -9.405 -5.173 3.920 1.00 0.73 H new ATOM 0 HD11 ILE B 76 -13.089 -7.174 4.843 1.00 1.02 H new ATOM 0 HD12 ILE B 76 -11.822 -8.216 5.535 1.00 1.02 H new ATOM 0 HD13 ILE B 76 -11.714 -6.448 5.708 1.00 1.02 H new ATOM 907 N ILE B 77 -7.162 -8.912 3.631 1.00 0.51 N ATOM 908 CA ILE B 77 -5.722 -9.169 3.909 1.00 0.45 C ATOM 909 C ILE B 77 -4.958 -9.148 2.585 1.00 0.35 C ATOM 910 O ILE B 77 -3.925 -8.521 2.456 1.00 0.30 O ATOM 911 CB ILE B 77 -5.550 -10.526 4.596 1.00 0.52 C ATOM 912 CG1 ILE B 77 -4.110 -10.665 5.098 1.00 1.19 C ATOM 913 CG2 ILE B 77 -5.852 -11.651 3.610 1.00 1.41 C ATOM 914 CD1 ILE B 77 -4.090 -10.582 6.626 1.00 1.86 C ATOM 0 H ILE B 77 -7.806 -9.638 3.944 1.00 0.51 H new ATOM 0 HA ILE B 77 -5.331 -8.398 4.574 1.00 0.45 H new ATOM 0 HB ILE B 77 -6.241 -10.590 5.437 1.00 0.52 H new ATOM 0 HG12 ILE B 77 -3.690 -11.616 4.770 1.00 1.19 H new ATOM 0 HG13 ILE B 77 -3.488 -9.877 4.673 1.00 1.19 H new ATOM 0 HG21 ILE B 77 -5.727 -12.613 4.107 1.00 1.41 H new ATOM 0 HG22 ILE B 77 -6.878 -11.557 3.254 1.00 1.41 H new ATOM 0 HG23 ILE B 77 -5.167 -11.588 2.765 1.00 1.41 H new ATOM 0 HD11 ILE B 77 -3.065 -10.681 6.982 1.00 1.86 H new ATOM 0 HD12 ILE B 77 -4.493 -9.620 6.943 1.00 1.86 H new ATOM 0 HD13 ILE B 77 -4.698 -11.385 7.042 1.00 1.86 H new ATOM 926 N PHE B 78 -5.470 -9.833 1.596 1.00 0.37 N ATOM 927 CA PHE B 78 -4.785 -9.861 0.269 1.00 0.34 C ATOM 928 C PHE B 78 -4.618 -8.435 -0.260 1.00 0.29 C ATOM 929 O PHE B 78 -3.558 -8.055 -0.717 1.00 0.27 O ATOM 930 CB PHE B 78 -5.612 -10.674 -0.733 1.00 0.44 C ATOM 931 CG PHE B 78 -4.982 -12.034 -0.923 1.00 1.05 C ATOM 932 CD1 PHE B 78 -5.000 -12.968 0.120 1.00 1.80 C ATOM 933 CD2 PHE B 78 -4.380 -12.362 -2.145 1.00 1.97 C ATOM 934 CE1 PHE B 78 -4.417 -14.228 -0.058 1.00 2.57 C ATOM 935 CE2 PHE B 78 -3.797 -13.622 -2.322 1.00 2.71 C ATOM 936 CZ PHE B 78 -3.815 -14.555 -1.279 1.00 2.81 C ATOM 0 H PHE B 78 -6.333 -10.374 1.650 1.00 0.37 H new ATOM 0 HA PHE B 78 -3.806 -10.324 0.391 1.00 0.34 H new ATOM 0 HB2 PHE B 78 -6.635 -10.783 -0.372 1.00 0.44 H new ATOM 0 HB3 PHE B 78 -5.664 -10.150 -1.687 1.00 0.44 H new ATOM 0 HD1 PHE B 78 -5.464 -12.716 1.062 1.00 1.80 H new ATOM 0 HD2 PHE B 78 -4.366 -11.643 -2.950 1.00 1.97 H new ATOM 0 HE1 PHE B 78 -4.432 -14.948 0.747 1.00 2.57 H new ATOM 0 HE2 PHE B 78 -3.333 -13.874 -3.264 1.00 2.71 H new ATOM 0 HZ PHE B 78 -3.365 -15.527 -1.416 1.00 2.81 H new ATOM 946 N GLY B 79 -5.656 -7.642 -0.213 1.00 0.30 N ATOM 947 CA GLY B 79 -5.543 -6.247 -0.729 1.00 0.28 C ATOM 948 C GLY B 79 -4.419 -5.515 0.002 1.00 0.22 C ATOM 949 O GLY B 79 -3.585 -4.876 -0.610 1.00 0.23 O ATOM 0 H GLY B 79 -6.571 -7.898 0.158 1.00 0.30 H new ATOM 0 HA2 GLY B 79 -5.344 -6.261 -1.801 1.00 0.28 H new ATOM 0 HA3 GLY B 79 -6.486 -5.719 -0.587 1.00 0.28 H new ATOM 953 N VAL B 80 -4.378 -5.601 1.304 1.00 0.22 N ATOM 954 CA VAL B 80 -3.293 -4.905 2.050 1.00 0.23 C ATOM 955 C VAL B 80 -1.938 -5.401 1.540 1.00 0.22 C ATOM 956 O VAL B 80 -1.052 -4.623 1.236 1.00 0.23 O ATOM 957 CB VAL B 80 -3.431 -5.202 3.543 1.00 0.27 C ATOM 958 CG1 VAL B 80 -2.313 -4.494 4.312 1.00 0.33 C ATOM 959 CG2 VAL B 80 -4.789 -4.693 4.034 1.00 0.30 C ATOM 0 H VAL B 80 -5.043 -6.119 1.879 1.00 0.22 H new ATOM 0 HA VAL B 80 -3.366 -3.829 1.894 1.00 0.23 H new ATOM 0 HB VAL B 80 -3.359 -6.277 3.710 1.00 0.27 H new ATOM 0 HG11 VAL B 80 -2.412 -4.707 5.376 1.00 0.33 H new ATOM 0 HG12 VAL B 80 -1.346 -4.852 3.959 1.00 0.33 H new ATOM 0 HG13 VAL B 80 -2.384 -3.419 4.149 1.00 0.33 H new ATOM 0 HG21 VAL B 80 -4.893 -4.902 5.099 1.00 0.30 H new ATOM 0 HG22 VAL B 80 -4.857 -3.618 3.867 1.00 0.30 H new ATOM 0 HG23 VAL B 80 -5.586 -5.196 3.486 1.00 0.30 H new ATOM 969 N MET B 81 -1.777 -6.692 1.424 1.00 0.22 N ATOM 970 CA MET B 81 -0.489 -7.235 0.913 1.00 0.23 C ATOM 971 C MET B 81 -0.217 -6.647 -0.472 1.00 0.24 C ATOM 972 O MET B 81 0.868 -6.185 -0.764 1.00 0.25 O ATOM 973 CB MET B 81 -0.580 -8.760 0.810 1.00 0.26 C ATOM 974 CG MET B 81 -0.965 -9.343 2.170 1.00 0.32 C ATOM 975 SD MET B 81 0.000 -10.844 2.474 1.00 1.15 S ATOM 976 CE MET B 81 -0.428 -11.701 0.939 1.00 1.83 C ATOM 0 H MET B 81 -2.481 -7.391 1.661 1.00 0.22 H new ATOM 0 HA MET B 81 0.319 -6.968 1.594 1.00 0.23 H new ATOM 0 HB2 MET B 81 -1.320 -9.041 0.060 1.00 0.26 H new ATOM 0 HB3 MET B 81 0.376 -9.170 0.484 1.00 0.26 H new ATOM 0 HG2 MET B 81 -0.780 -8.612 2.957 1.00 0.32 H new ATOM 0 HG3 MET B 81 -2.031 -9.572 2.192 1.00 0.32 H new ATOM 0 HE1 MET B 81 -0.398 -12.778 1.103 1.00 1.83 H new ATOM 0 HE2 MET B 81 -1.431 -11.409 0.627 1.00 1.83 H new ATOM 0 HE3 MET B 81 0.287 -11.432 0.161 1.00 1.83 H new ATOM 986 N ALA B 82 -1.204 -6.663 -1.325 1.00 0.25 N ATOM 987 CA ALA B 82 -1.024 -6.111 -2.694 1.00 0.27 C ATOM 988 C ALA B 82 -0.576 -4.647 -2.612 1.00 0.26 C ATOM 989 O ALA B 82 0.339 -4.238 -3.299 1.00 0.27 O ATOM 990 CB ALA B 82 -2.334 -6.228 -3.487 1.00 0.31 C ATOM 0 H ALA B 82 -2.132 -7.037 -1.130 1.00 0.25 H new ATOM 0 HA ALA B 82 -0.254 -6.684 -3.211 1.00 0.27 H new ATOM 0 HB1 ALA B 82 -2.191 -5.821 -4.488 1.00 0.31 H new ATOM 0 HB2 ALA B 82 -2.623 -7.276 -3.560 1.00 0.31 H new ATOM 0 HB3 ALA B 82 -3.119 -5.670 -2.977 1.00 0.31 H new ATOM 996 N GLY B 83 -1.209 -3.843 -1.791 1.00 0.25 N ATOM 997 CA GLY B 83 -0.797 -2.415 -1.706 1.00 0.26 C ATOM 998 C GLY B 83 0.685 -2.333 -1.339 1.00 0.24 C ATOM 999 O GLY B 83 1.445 -1.616 -1.960 1.00 0.24 O ATOM 0 H GLY B 83 -1.983 -4.114 -1.185 1.00 0.25 H new ATOM 0 HA2 GLY B 83 -0.975 -1.917 -2.659 1.00 0.26 H new ATOM 0 HA3 GLY B 83 -1.397 -1.896 -0.958 1.00 0.26 H new ATOM 1003 N VAL B 84 1.113 -3.067 -0.347 1.00 0.22 N ATOM 1004 CA VAL B 84 2.557 -3.019 0.024 1.00 0.21 C ATOM 1005 C VAL B 84 3.399 -3.400 -1.198 1.00 0.21 C ATOM 1006 O VAL B 84 4.355 -2.732 -1.543 1.00 0.21 O ATOM 1007 CB VAL B 84 2.830 -4.004 1.160 1.00 0.23 C ATOM 1008 CG1 VAL B 84 4.336 -4.079 1.419 1.00 0.28 C ATOM 1009 CG2 VAL B 84 2.119 -3.527 2.429 1.00 0.31 C ATOM 0 H VAL B 84 0.534 -3.690 0.216 1.00 0.22 H new ATOM 0 HA VAL B 84 2.818 -2.013 0.353 1.00 0.21 H new ATOM 0 HB VAL B 84 2.459 -4.991 0.883 1.00 0.23 H new ATOM 0 HG11 VAL B 84 4.531 -4.781 2.229 1.00 0.28 H new ATOM 0 HG12 VAL B 84 4.844 -4.417 0.516 1.00 0.28 H new ATOM 0 HG13 VAL B 84 4.707 -3.092 1.697 1.00 0.28 H new ATOM 0 HG21 VAL B 84 2.313 -4.229 3.240 1.00 0.31 H new ATOM 0 HG22 VAL B 84 2.491 -2.541 2.706 1.00 0.31 H new ATOM 0 HG23 VAL B 84 1.046 -3.472 2.246 1.00 0.31 H new ATOM 1019 N ILE B 85 3.040 -4.468 -1.863 1.00 0.23 N ATOM 1020 CA ILE B 85 3.801 -4.896 -3.069 1.00 0.25 C ATOM 1021 C ILE B 85 3.822 -3.761 -4.098 1.00 0.26 C ATOM 1022 O ILE B 85 4.851 -3.439 -4.659 1.00 0.26 O ATOM 1023 CB ILE B 85 3.131 -6.128 -3.681 1.00 0.30 C ATOM 1024 CG1 ILE B 85 3.028 -7.229 -2.622 1.00 0.32 C ATOM 1025 CG2 ILE B 85 3.968 -6.633 -4.858 1.00 0.40 C ATOM 1026 CD1 ILE B 85 2.090 -8.331 -3.117 1.00 1.06 C ATOM 0 H ILE B 85 2.248 -5.063 -1.619 1.00 0.23 H new ATOM 0 HA ILE B 85 4.824 -5.140 -2.783 1.00 0.25 H new ATOM 0 HB ILE B 85 2.134 -5.863 -4.031 1.00 0.30 H new ATOM 0 HG12 ILE B 85 4.015 -7.643 -2.416 1.00 0.32 H new ATOM 0 HG13 ILE B 85 2.655 -6.813 -1.686 1.00 0.32 H new ATOM 0 HG21 ILE B 85 3.491 -7.511 -5.294 1.00 0.40 H new ATOM 0 HG22 ILE B 85 4.045 -5.850 -5.612 1.00 0.40 H new ATOM 0 HG23 ILE B 85 4.965 -6.899 -4.508 1.00 0.40 H new ATOM 0 HD11 ILE B 85 2.018 -9.114 -2.362 1.00 1.06 H new ATOM 0 HD12 ILE B 85 1.101 -7.912 -3.300 1.00 1.06 H new ATOM 0 HD13 ILE B 85 2.482 -8.754 -4.042 1.00 1.06 H new ATOM 1038 N GLY B 86 2.691 -3.159 -4.356 1.00 0.27 N ATOM 1039 CA GLY B 86 2.645 -2.056 -5.355 1.00 0.30 C ATOM 1040 C GLY B 86 3.625 -0.954 -4.956 1.00 0.27 C ATOM 1041 O GLY B 86 4.389 -0.470 -5.768 1.00 0.29 O ATOM 0 H GLY B 86 1.798 -3.385 -3.917 1.00 0.27 H new ATOM 0 HA2 GLY B 86 2.897 -2.438 -6.344 1.00 0.30 H new ATOM 0 HA3 GLY B 86 1.635 -1.652 -5.417 1.00 0.30 H new ATOM 1045 N THR B 87 3.618 -0.548 -3.714 1.00 0.24 N ATOM 1046 CA THR B 87 4.561 0.523 -3.291 1.00 0.24 C ATOM 1047 C THR B 87 5.990 0.077 -3.603 1.00 0.24 C ATOM 1048 O THR B 87 6.767 0.811 -4.183 1.00 0.28 O ATOM 1049 CB THR B 87 4.416 0.770 -1.787 1.00 0.25 C ATOM 1050 OG1 THR B 87 3.055 1.044 -1.483 1.00 0.32 O ATOM 1051 CG2 THR B 87 5.283 1.962 -1.379 1.00 0.28 C ATOM 0 H THR B 87 3.006 -0.909 -2.982 1.00 0.24 H new ATOM 0 HA THR B 87 4.337 1.445 -3.827 1.00 0.24 H new ATOM 0 HB THR B 87 4.739 -0.115 -1.239 1.00 0.25 H new ATOM 0 HG1 THR B 87 2.567 1.234 -2.311 1.00 0.32 H new ATOM 0 HG21 THR B 87 5.180 2.138 -0.308 1.00 0.28 H new ATOM 0 HG22 THR B 87 6.326 1.750 -1.613 1.00 0.28 H new ATOM 0 HG23 THR B 87 4.962 2.849 -1.925 1.00 0.28 H new ATOM 1059 N ILE B 88 6.337 -1.129 -3.243 1.00 0.23 N ATOM 1060 CA ILE B 88 7.709 -1.627 -3.543 1.00 0.29 C ATOM 1061 C ILE B 88 7.945 -1.543 -5.052 1.00 0.33 C ATOM 1062 O ILE B 88 8.965 -1.067 -5.511 1.00 0.40 O ATOM 1063 CB ILE B 88 7.843 -3.078 -3.080 1.00 0.33 C ATOM 1064 CG1 ILE B 88 7.640 -3.145 -1.563 1.00 0.34 C ATOM 1065 CG2 ILE B 88 9.236 -3.600 -3.430 1.00 0.40 C ATOM 1066 CD1 ILE B 88 7.911 -4.567 -1.070 1.00 0.41 C ATOM 0 H ILE B 88 5.731 -1.789 -2.755 1.00 0.23 H new ATOM 0 HA ILE B 88 8.446 -1.019 -3.019 1.00 0.29 H new ATOM 0 HB ILE B 88 7.092 -3.691 -3.578 1.00 0.33 H new ATOM 0 HG12 ILE B 88 8.309 -2.443 -1.065 1.00 0.34 H new ATOM 0 HG13 ILE B 88 6.622 -2.849 -1.309 1.00 0.34 H new ATOM 0 HG21 ILE B 88 9.331 -4.634 -3.100 1.00 0.40 H new ATOM 0 HG22 ILE B 88 9.383 -3.549 -4.509 1.00 0.40 H new ATOM 0 HG23 ILE B 88 9.989 -2.990 -2.932 1.00 0.40 H new ATOM 0 HD11 ILE B 88 7.766 -4.612 0.009 1.00 0.41 H new ATOM 0 HD12 ILE B 88 7.224 -5.258 -1.558 1.00 0.41 H new ATOM 0 HD13 ILE B 88 8.937 -4.846 -1.310 1.00 0.41 H new ATOM 1078 N LEU B 89 6.999 -2.004 -5.824 1.00 0.33 N ATOM 1079 CA LEU B 89 7.143 -1.959 -7.306 1.00 0.41 C ATOM 1080 C LEU B 89 7.381 -0.506 -7.742 1.00 0.44 C ATOM 1081 O LEU B 89 8.256 -0.222 -8.535 1.00 0.51 O ATOM 1082 CB LEU B 89 5.868 -2.552 -7.953 1.00 0.44 C ATOM 1083 CG LEU B 89 5.129 -1.515 -8.814 1.00 0.76 C ATOM 1084 CD1 LEU B 89 5.958 -1.197 -10.060 1.00 1.14 C ATOM 1085 CD2 LEU B 89 3.773 -2.084 -9.240 1.00 1.06 C ATOM 0 H LEU B 89 6.127 -2.413 -5.489 1.00 0.33 H new ATOM 0 HA LEU B 89 7.996 -2.553 -7.633 1.00 0.41 H new ATOM 0 HB2 LEU B 89 6.138 -3.410 -8.569 1.00 0.44 H new ATOM 0 HB3 LEU B 89 5.201 -2.918 -7.172 1.00 0.44 H new ATOM 0 HG LEU B 89 4.980 -0.604 -8.235 1.00 0.76 H new ATOM 0 HD11 LEU B 89 5.432 -0.462 -10.669 1.00 1.14 H new ATOM 0 HD12 LEU B 89 6.926 -0.795 -9.760 1.00 1.14 H new ATOM 0 HD13 LEU B 89 6.108 -2.108 -10.640 1.00 1.14 H new ATOM 0 HD21 LEU B 89 3.246 -1.351 -9.851 1.00 1.06 H new ATOM 0 HD22 LEU B 89 3.926 -2.995 -9.818 1.00 1.06 H new ATOM 0 HD23 LEU B 89 3.180 -2.312 -8.355 1.00 1.06 H new ATOM 1097 N LEU B 90 6.607 0.411 -7.232 1.00 0.40 N ATOM 1098 CA LEU B 90 6.794 1.840 -7.626 1.00 0.47 C ATOM 1099 C LEU B 90 8.232 2.259 -7.324 1.00 0.51 C ATOM 1100 O LEU B 90 8.898 2.857 -8.145 1.00 0.60 O ATOM 1101 CB LEU B 90 5.828 2.730 -6.838 1.00 0.47 C ATOM 1102 CG LEU B 90 5.551 4.009 -7.631 1.00 1.14 C ATOM 1103 CD1 LEU B 90 4.838 5.023 -6.735 1.00 2.02 C ATOM 1104 CD2 LEU B 90 6.874 4.604 -8.120 1.00 1.67 C ATOM 0 H LEU B 90 5.857 0.237 -6.563 1.00 0.40 H new ATOM 0 HA LEU B 90 6.592 1.950 -8.691 1.00 0.47 H new ATOM 0 HB2 LEU B 90 4.896 2.197 -6.650 1.00 0.47 H new ATOM 0 HB3 LEU B 90 6.255 2.977 -5.866 1.00 0.47 H new ATOM 0 HG LEU B 90 4.919 3.774 -8.487 1.00 1.14 H new ATOM 0 HD11 LEU B 90 4.641 5.934 -7.301 1.00 2.02 H new ATOM 0 HD12 LEU B 90 3.895 4.601 -6.387 1.00 2.02 H new ATOM 0 HD13 LEU B 90 5.469 5.258 -5.878 1.00 2.02 H new ATOM 0 HD21 LEU B 90 6.676 5.515 -8.685 1.00 1.67 H new ATOM 0 HD22 LEU B 90 7.506 4.838 -7.264 1.00 1.67 H new ATOM 0 HD23 LEU B 90 7.383 3.883 -8.760 1.00 1.67 H new ATOM 1116 N ILE B 91 8.723 1.946 -6.155 1.00 0.47 N ATOM 1117 CA ILE B 91 10.124 2.327 -5.819 1.00 0.57 C ATOM 1118 C ILE B 91 11.066 1.732 -6.861 1.00 0.65 C ATOM 1119 O ILE B 91 11.929 2.409 -7.384 1.00 0.77 O ATOM 1120 CB ILE B 91 10.486 1.789 -4.433 1.00 0.55 C ATOM 1121 CG1 ILE B 91 9.518 2.360 -3.396 1.00 0.51 C ATOM 1122 CG2 ILE B 91 11.914 2.208 -4.080 1.00 0.66 C ATOM 1123 CD1 ILE B 91 9.741 1.664 -2.052 1.00 0.54 C ATOM 0 H ILE B 91 8.218 1.446 -5.423 1.00 0.47 H new ATOM 0 HA ILE B 91 10.218 3.413 -5.816 1.00 0.57 H new ATOM 0 HB ILE B 91 10.416 0.701 -4.436 1.00 0.55 H new ATOM 0 HG12 ILE B 91 9.672 3.434 -3.291 1.00 0.51 H new ATOM 0 HG13 ILE B 91 8.489 2.216 -3.726 1.00 0.51 H new ATOM 0 HG21 ILE B 91 12.172 1.825 -3.093 1.00 0.66 H new ATOM 0 HG22 ILE B 91 12.605 1.802 -4.819 1.00 0.66 H new ATOM 0 HG23 ILE B 91 11.984 3.296 -4.077 1.00 0.66 H new ATOM 0 HD11 ILE B 91 9.051 2.071 -1.313 1.00 0.54 H new ATOM 0 HD12 ILE B 91 9.565 0.594 -2.163 1.00 0.54 H new ATOM 0 HD13 ILE B 91 10.766 1.830 -1.722 1.00 0.54 H new ATOM 1135 N SER B 92 10.907 0.477 -7.184 1.00 0.63 N ATOM 1136 CA SER B 92 11.800 -0.131 -8.205 1.00 0.76 C ATOM 1137 C SER B 92 11.688 0.683 -9.492 1.00 0.83 C ATOM 1138 O SER B 92 12.680 1.055 -10.090 1.00 0.95 O ATOM 1139 CB SER B 92 11.370 -1.575 -8.469 1.00 0.74 C ATOM 1140 OG SER B 92 11.254 -2.263 -7.231 1.00 1.53 O ATOM 0 H SER B 92 10.204 -0.147 -6.788 1.00 0.63 H new ATOM 0 HA SER B 92 12.831 -0.129 -7.850 1.00 0.76 H new ATOM 0 HB2 SER B 92 10.417 -1.592 -8.999 1.00 0.74 H new ATOM 0 HB3 SER B 92 12.099 -2.073 -9.108 1.00 0.74 H new ATOM 0 HG SER B 92 10.977 -3.188 -7.396 1.00 1.53 H new ATOM 1146 N TYR B 93 10.489 0.984 -9.914 1.00 0.77 N ATOM 1147 CA TYR B 93 10.326 1.797 -11.150 1.00 0.87 C ATOM 1148 C TYR B 93 11.068 3.124 -10.971 1.00 0.94 C ATOM 1149 O TYR B 93 11.818 3.548 -11.826 1.00 1.07 O ATOM 1150 CB TYR B 93 8.838 2.071 -11.388 1.00 0.83 C ATOM 1151 CG TYR B 93 8.498 1.796 -12.833 1.00 1.09 C ATOM 1152 CD1 TYR B 93 9.291 2.334 -13.853 1.00 1.68 C ATOM 1153 CD2 TYR B 93 7.388 1.005 -13.152 1.00 1.74 C ATOM 1154 CE1 TYR B 93 8.975 2.081 -15.193 1.00 2.03 C ATOM 1155 CE2 TYR B 93 7.072 0.751 -14.493 1.00 1.99 C ATOM 1156 CZ TYR B 93 7.866 1.289 -15.513 1.00 1.84 C ATOM 1157 OH TYR B 93 7.553 1.039 -16.834 1.00 2.25 O ATOM 0 H TYR B 93 9.621 0.703 -9.458 1.00 0.77 H new ATOM 0 HA TYR B 93 10.733 1.258 -12.005 1.00 0.87 H new ATOM 0 HB2 TYR B 93 8.233 1.442 -10.735 1.00 0.83 H new ATOM 0 HB3 TYR B 93 8.604 3.106 -11.139 1.00 0.83 H new ATOM 0 HD1 TYR B 93 10.147 2.945 -13.606 1.00 1.68 H new ATOM 0 HD2 TYR B 93 6.776 0.591 -12.365 1.00 1.74 H new ATOM 0 HE1 TYR B 93 9.587 2.497 -15.980 1.00 2.03 H new ATOM 0 HE2 TYR B 93 6.216 0.140 -14.740 1.00 1.99 H new ATOM 0 HH TYR B 93 6.755 0.472 -16.879 1.00 2.25 H new ATOM 1167 N GLY B 94 10.872 3.776 -9.853 1.00 0.88 N ATOM 1168 CA GLY B 94 11.574 5.066 -9.607 1.00 0.98 C ATOM 1169 C GLY B 94 13.082 4.843 -9.704 1.00 1.10 C ATOM 1170 O GLY B 94 13.791 5.590 -10.351 1.00 1.24 O ATOM 0 H GLY B 94 10.255 3.468 -9.101 1.00 0.88 H new ATOM 0 HA2 GLY B 94 11.257 5.811 -10.336 1.00 0.98 H new ATOM 0 HA3 GLY B 94 11.314 5.453 -8.622 1.00 0.98 H new ATOM 1174 N ILE B 95 13.579 3.819 -9.065 1.00 1.07 N ATOM 1175 CA ILE B 95 15.045 3.550 -9.125 1.00 1.22 C ATOM 1176 C ILE B 95 15.462 3.397 -10.591 1.00 1.34 C ATOM 1177 O ILE B 95 16.432 3.982 -11.033 1.00 1.50 O ATOM 1178 CB ILE B 95 15.372 2.265 -8.342 1.00 1.20 C ATOM 1179 CG1 ILE B 95 15.494 2.595 -6.851 1.00 1.37 C ATOM 1180 CG2 ILE B 95 16.698 1.671 -8.829 1.00 1.50 C ATOM 1181 CD1 ILE B 95 14.529 1.717 -6.051 1.00 1.81 C ATOM 0 H ILE B 95 13.037 3.160 -8.507 1.00 1.07 H new ATOM 0 HA ILE B 95 15.593 4.379 -8.676 1.00 1.22 H new ATOM 0 HB ILE B 95 14.572 1.542 -8.502 1.00 1.20 H new ATOM 0 HG12 ILE B 95 16.517 2.429 -6.514 1.00 1.37 H new ATOM 0 HG13 ILE B 95 15.269 3.648 -6.682 1.00 1.37 H new ATOM 0 HG21 ILE B 95 16.918 0.763 -8.268 1.00 1.50 H new ATOM 0 HG22 ILE B 95 16.622 1.432 -9.890 1.00 1.50 H new ATOM 0 HG23 ILE B 95 17.499 2.395 -8.676 1.00 1.50 H new ATOM 0 HD11 ILE B 95 14.617 1.953 -4.990 1.00 1.81 H new ATOM 0 HD12 ILE B 95 13.507 1.905 -6.381 1.00 1.81 H new ATOM 0 HD13 ILE B 95 14.775 0.667 -6.211 1.00 1.81 H new ATOM 1193 N ARG B 96 14.733 2.626 -11.353 1.00 1.29 N ATOM 1194 CA ARG B 96 15.088 2.451 -12.792 1.00 1.42 C ATOM 1195 C ARG B 96 15.120 3.822 -13.465 1.00 1.52 C ATOM 1196 O ARG B 96 16.042 4.155 -14.181 1.00 1.68 O ATOM 1197 CB ARG B 96 14.039 1.569 -13.476 1.00 1.36 C ATOM 1198 CG ARG B 96 13.867 0.273 -12.680 1.00 1.61 C ATOM 1199 CD ARG B 96 13.964 -0.925 -13.627 1.00 1.77 C ATOM 1200 NE ARG B 96 12.604 -1.493 -13.853 1.00 1.70 N ATOM 1201 CZ ARG B 96 12.400 -2.321 -14.842 1.00 2.10 C ATOM 1202 NH1 ARG B 96 12.762 -3.570 -14.732 1.00 2.69 N ATOM 1203 NH2 ARG B 96 11.834 -1.900 -15.940 1.00 2.54 N ATOM 0 H ARG B 96 13.909 2.111 -11.043 1.00 1.29 H new ATOM 0 HA ARG B 96 16.065 1.975 -12.876 1.00 1.42 H new ATOM 0 HB2 ARG B 96 13.088 2.098 -13.540 1.00 1.36 H new ATOM 0 HB3 ARG B 96 14.347 1.343 -14.497 1.00 1.36 H new ATOM 0 HG2 ARG B 96 14.634 0.203 -11.909 1.00 1.61 H new ATOM 0 HG3 ARG B 96 12.903 0.271 -12.172 1.00 1.61 H new ATOM 0 HD2 ARG B 96 14.403 -0.617 -14.576 1.00 1.77 H new ATOM 0 HD3 ARG B 96 14.621 -1.685 -13.203 1.00 1.77 H new ATOM 0 HE ARG B 96 11.834 -1.235 -13.236 1.00 1.70 H new ATOM 0 HH11 ARG B 96 13.204 -3.899 -13.874 1.00 2.69 H new ATOM 0 HH12 ARG B 96 12.603 -4.217 -15.504 1.00 2.69 H new ATOM 0 HH21 ARG B 96 11.551 -0.924 -16.026 1.00 2.54 H new ATOM 0 HH22 ARG B 96 11.675 -2.547 -16.712 1.00 2.54 H new ATOM 1217 N ARG B 97 14.120 4.622 -13.238 1.00 1.43 N ATOM 1218 CA ARG B 97 14.093 5.975 -13.857 1.00 1.55 C ATOM 1219 C ARG B 97 15.349 6.748 -13.455 1.00 1.67 C ATOM 1220 O ARG B 97 16.001 7.363 -14.276 1.00 1.83 O ATOM 1221 CB ARG B 97 12.848 6.731 -13.389 1.00 1.45 C ATOM 1222 CG ARG B 97 12.933 8.188 -13.844 1.00 1.62 C ATOM 1223 CD ARG B 97 12.910 9.107 -12.621 1.00 1.72 C ATOM 1224 NE ARG B 97 12.955 10.531 -13.063 1.00 2.17 N ATOM 1225 CZ ARG B 97 13.669 10.875 -14.100 1.00 2.50 C ATOM 1226 NH1 ARG B 97 14.920 11.215 -13.949 1.00 3.17 N ATOM 1227 NH2 ARG B 97 13.131 10.879 -15.290 1.00 2.89 N ATOM 0 H ARG B 97 13.318 4.398 -12.649 1.00 1.43 H new ATOM 0 HA ARG B 97 14.064 5.875 -14.942 1.00 1.55 H new ATOM 0 HB2 ARG B 97 11.952 6.264 -13.797 1.00 1.45 H new ATOM 0 HB3 ARG B 97 12.767 6.682 -12.303 1.00 1.45 H new ATOM 0 HG2 ARG B 97 13.847 8.349 -14.416 1.00 1.62 H new ATOM 0 HG3 ARG B 97 12.098 8.423 -14.504 1.00 1.62 H new ATOM 0 HD2 ARG B 97 12.009 8.926 -12.035 1.00 1.72 H new ATOM 0 HD3 ARG B 97 13.760 8.890 -11.974 1.00 1.72 H new ATOM 0 HE ARG B 97 12.426 11.238 -12.553 1.00 2.17 H new ATOM 0 HH11 ARG B 97 15.341 11.212 -13.020 1.00 3.17 H new ATOM 0 HH12 ARG B 97 15.477 11.484 -14.760 1.00 3.17 H new ATOM 0 HH21 ARG B 97 12.153 10.613 -15.409 1.00 2.89 H new ATOM 0 HH22 ARG B 97 13.688 11.148 -16.101 1.00 2.89 H new ATOM 1241 N LEU B 98 15.690 6.730 -12.196 1.00 1.62 N ATOM 1242 CA LEU B 98 16.899 7.472 -11.741 1.00 1.76 C ATOM 1243 C LEU B 98 18.116 6.987 -12.529 1.00 1.92 C ATOM 1244 O LEU B 98 18.898 7.774 -13.026 1.00 2.09 O ATOM 1245 CB LEU B 98 17.122 7.215 -10.250 1.00 1.69 C ATOM 1246 CG LEU B 98 16.518 8.360 -9.438 1.00 1.72 C ATOM 1247 CD1 LEU B 98 16.119 7.847 -8.054 1.00 1.72 C ATOM 1248 CD2 LEU B 98 17.551 9.479 -9.289 1.00 2.01 C ATOM 0 H LEU B 98 15.184 6.234 -11.463 1.00 1.62 H new ATOM 0 HA LEU B 98 16.758 8.540 -11.908 1.00 1.76 H new ATOM 0 HB2 LEU B 98 16.664 6.269 -9.961 1.00 1.69 H new ATOM 0 HB3 LEU B 98 18.188 7.130 -10.041 1.00 1.69 H new ATOM 0 HG LEU B 98 15.637 8.745 -9.951 1.00 1.72 H new ATOM 0 HD11 LEU B 98 15.688 8.663 -7.474 1.00 1.72 H new ATOM 0 HD12 LEU B 98 15.384 7.049 -8.160 1.00 1.72 H new ATOM 0 HD13 LEU B 98 17.000 7.463 -7.540 1.00 1.72 H new ATOM 0 HD21 LEU B 98 17.121 10.296 -8.710 1.00 2.01 H new ATOM 0 HD22 LEU B 98 18.432 9.095 -8.775 1.00 2.01 H new ATOM 0 HD23 LEU B 98 17.837 9.844 -10.275 1.00 2.01 H new ATOM 1260 N ILE B 99 18.281 5.701 -12.655 1.00 1.89 N ATOM 1261 CA ILE B 99 19.441 5.173 -13.418 1.00 2.07 C ATOM 1262 C ILE B 99 19.150 5.320 -14.916 1.00 2.17 C ATOM 1263 O ILE B 99 18.848 6.397 -15.389 1.00 2.50 O ATOM 1264 CB ILE B 99 19.644 3.702 -13.054 1.00 2.14 C ATOM 1265 CG1 ILE B 99 18.341 2.937 -13.298 1.00 2.13 C ATOM 1266 CG2 ILE B 99 20.031 3.590 -11.578 1.00 2.25 C ATOM 1267 CD1 ILE B 99 18.632 1.437 -13.358 1.00 2.38 C ATOM 0 H ILE B 99 17.661 4.993 -12.262 1.00 1.89 H new ATOM 0 HA ILE B 99 20.348 5.726 -13.174 1.00 2.07 H new ATOM 0 HB ILE B 99 20.438 3.280 -13.670 1.00 2.14 H new ATOM 0 HG12 ILE B 99 17.628 3.148 -12.501 1.00 2.13 H new ATOM 0 HG13 ILE B 99 17.883 3.267 -14.230 1.00 2.13 H new ATOM 0 HG21 ILE B 99 20.176 2.541 -11.318 1.00 2.25 H new ATOM 0 HG22 ILE B 99 20.956 4.138 -11.402 1.00 2.25 H new ATOM 0 HG23 ILE B 99 19.237 4.010 -10.961 1.00 2.25 H new ATOM 0 HD11 ILE B 99 17.704 0.893 -13.532 1.00 2.38 H new ATOM 0 HD12 ILE B 99 19.329 1.234 -14.171 1.00 2.38 H new ATOM 0 HD13 ILE B 99 19.071 1.113 -12.414 1.00 2.38 H new ATOM 1279 N LYS B 100 19.226 4.254 -15.669 1.00 2.25 N ATOM 1280 CA LYS B 100 18.940 4.351 -17.126 1.00 2.60 C ATOM 1281 C LYS B 100 19.615 5.601 -17.697 1.00 2.97 C ATOM 1282 O LYS B 100 18.961 6.520 -18.145 1.00 3.27 O ATOM 1283 CB LYS B 100 17.427 4.441 -17.336 1.00 2.80 C ATOM 1284 CG LYS B 100 17.098 4.161 -18.803 1.00 3.38 C ATOM 1285 CD LYS B 100 16.478 2.767 -18.930 1.00 3.94 C ATOM 1286 CE LYS B 100 16.046 2.532 -20.379 1.00 4.56 C ATOM 1287 NZ LYS B 100 14.952 1.522 -20.414 1.00 5.22 N ATOM 0 H LYS B 100 19.474 3.322 -15.336 1.00 2.25 H new ATOM 0 HA LYS B 100 19.327 3.469 -17.637 1.00 2.60 H new ATOM 0 HB2 LYS B 100 16.917 3.723 -16.694 1.00 2.80 H new ATOM 0 HB3 LYS B 100 17.068 5.431 -17.054 1.00 2.80 H new ATOM 0 HG2 LYS B 100 16.407 4.914 -19.182 1.00 3.38 H new ATOM 0 HG3 LYS B 100 18.002 4.225 -19.408 1.00 3.38 H new ATOM 0 HD2 LYS B 100 17.199 2.008 -18.626 1.00 3.94 H new ATOM 0 HD3 LYS B 100 15.620 2.677 -18.264 1.00 3.94 H new ATOM 0 HE2 LYS B 100 15.706 3.467 -20.825 1.00 4.56 H new ATOM 0 HE3 LYS B 100 16.894 2.186 -20.971 1.00 4.56 H new ATOM 0 HZ1 LYS B 100 14.658 1.362 -21.399 1.00 5.22 H new ATOM 0 HZ2 LYS B 100 15.291 0.628 -20.005 1.00 5.22 H new ATOM 0 HZ3 LYS B 100 14.141 1.869 -19.863 1.00 5.22 H new ATOM 1301 N LYS B 101 20.919 5.640 -17.680 1.00 3.27 N ATOM 1302 CA LYS B 101 21.638 6.830 -18.218 1.00 3.83 C ATOM 1303 C LYS B 101 21.288 8.059 -17.376 1.00 4.00 C ATOM 1304 O LYS B 101 20.489 8.858 -17.834 1.00 4.36 O ATOM 1305 CB LYS B 101 21.214 7.069 -19.669 1.00 4.43 C ATOM 1306 CG LYS B 101 22.192 6.362 -20.609 1.00 5.03 C ATOM 1307 CD LYS B 101 21.973 6.858 -22.039 1.00 5.77 C ATOM 1308 CE LYS B 101 22.665 5.908 -23.020 1.00 6.68 C ATOM 1309 NZ LYS B 101 24.135 6.159 -23.001 1.00 7.38 N ATOM 1310 OXT LYS B 101 21.826 8.179 -16.287 1.00 4.28 O ATOM 0 H LYS B 101 21.518 4.899 -17.317 1.00 3.27 H new ATOM 0 HA LYS B 101 22.713 6.655 -18.178 1.00 3.83 H new ATOM 0 HB2 LYS B 101 20.203 6.695 -19.830 1.00 4.43 H new ATOM 0 HB3 LYS B 101 21.196 8.138 -19.883 1.00 4.43 H new ATOM 0 HG2 LYS B 101 23.218 6.558 -20.298 1.00 5.03 H new ATOM 0 HG3 LYS B 101 22.045 5.283 -20.560 1.00 5.03 H new ATOM 0 HD2 LYS B 101 20.906 6.910 -22.258 1.00 5.77 H new ATOM 0 HD3 LYS B 101 22.371 7.867 -22.151 1.00 5.77 H new ATOM 0 HE2 LYS B 101 22.458 4.873 -22.748 1.00 6.68 H new ATOM 0 HE3 LYS B 101 22.273 6.057 -24.026 1.00 6.68 H new ATOM 0 HZ1 LYS B 101 24.606 5.514 -23.667 1.00 7.38 H new ATOM 0 HZ2 LYS B 101 24.323 7.143 -23.280 1.00 7.38 H new ATOM 0 HZ3 LYS B 101 24.503 5.995 -22.042 1.00 7.38 H new TER 1324 LYS B 101