USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 557 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 LYS NZ :NH3+ 153:sc= 1.74 (180deg=1.05) USER MOD Set 1.2: A 34 TYR OH : rot 120:sc= 0.46 USER MOD Single : A 1 MET CE :methyl 167:sc=-0.00569 (180deg=-0.196) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.28 (180deg=0.971) USER MOD Single : A 3 LYS NZ :NH3+ -156:sc= 1.23 (180deg=0.462) USER MOD Single : A 5 LYS NZ :NH3+ -147:sc= 2.3 (180deg=0.283) USER MOD Single : A 7 LYS NZ :NH3+ -164:sc= 0.958 (180deg=0.926) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -126:sc= 0.416 (180deg=-0.224) USER MOD Single : A 17 THR OG1 : rot 89:sc= 1.22 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 1.23 (180deg=0.748) USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0117) USER MOD Single : A 28 LYS NZ :NH3+ 141:sc= -0.191 (180deg=-0.804) USER MOD Single : A 29 MET CE :methyl -145:sc= 0 (180deg=-1.11) USER MOD Single : A 31 SER OG : rot 180:sc= -0.151 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.577! X(o=-0.58!,f=-0.44) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 37:sc= 0.0582 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -156:sc= 0 (180deg=-1.17) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -169:sc= -0.454! (180deg=-0.952!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.124 -10.937 -3.918 1.00 4.12 N ATOM 2 CA MET A 1 -0.581 -10.227 -5.100 1.00 3.25 C ATOM 3 C MET A 1 -1.015 -8.765 -5.109 1.00 2.66 C ATOM 4 O MET A 1 -0.237 -7.881 -4.761 1.00 3.04 O ATOM 5 CB MET A 1 -1.009 -10.919 -6.402 1.00 3.39 C ATOM 6 CG MET A 1 -0.325 -12.261 -6.637 1.00 3.39 C ATOM 7 SD MET A 1 -0.763 -13.509 -5.403 1.00 4.40 S ATOM 8 CE MET A 1 -2.470 -13.842 -5.840 1.00 4.67 C ATOM 0 H1 MET A 1 -1.082 -11.963 -4.080 1.00 4.12 H new ATOM 0 H2 MET A 1 -0.559 -10.696 -3.079 1.00 4.12 H new ATOM 0 H3 MET A 1 -2.112 -10.651 -3.765 1.00 4.12 H new ATOM 0 HA MET A 1 0.506 -10.261 -5.034 1.00 3.25 H new ATOM 0 HB2 MET A 1 -2.088 -11.070 -6.385 1.00 3.39 H new ATOM 0 HB3 MET A 1 -0.792 -10.259 -7.242 1.00 3.39 H new ATOM 0 HG2 MET A 1 -0.592 -12.629 -7.628 1.00 3.39 H new ATOM 0 HG3 MET A 1 0.755 -12.117 -6.631 1.00 3.39 H new ATOM 0 HE1 MET A 1 -2.807 -14.744 -5.329 1.00 4.67 H new ATOM 0 HE2 MET A 1 -3.093 -13.000 -5.539 1.00 4.67 H new ATOM 0 HE3 MET A 1 -2.548 -13.985 -6.918 1.00 4.67 H new ATOM 20 N VAL A 2 -2.264 -8.511 -5.490 1.00 2.26 N ATOM 21 CA VAL A 2 -2.770 -7.143 -5.582 1.00 2.19 C ATOM 22 C VAL A 2 -3.605 -6.785 -4.356 1.00 1.63 C ATOM 23 O VAL A 2 -4.592 -6.061 -4.450 1.00 1.88 O ATOM 24 CB VAL A 2 -3.611 -6.935 -6.864 1.00 2.84 C ATOM 25 CG1 VAL A 2 -2.736 -7.074 -8.099 1.00 3.27 C ATOM 26 CG2 VAL A 2 -4.776 -7.920 -6.924 1.00 3.64 C ATOM 0 H VAL A 2 -2.943 -9.231 -5.739 1.00 2.26 H new ATOM 0 HA VAL A 2 -1.904 -6.483 -5.626 1.00 2.19 H new ATOM 0 HB VAL A 2 -4.023 -5.926 -6.837 1.00 2.84 H new ATOM 0 HG11 VAL A 2 -3.342 -6.925 -8.993 1.00 3.27 H new ATOM 0 HG12 VAL A 2 -1.943 -6.326 -8.069 1.00 3.27 H new ATOM 0 HG13 VAL A 2 -2.294 -8.070 -8.122 1.00 3.27 H new ATOM 0 HG21 VAL A 2 -5.349 -7.750 -7.835 1.00 3.64 H new ATOM 0 HG22 VAL A 2 -4.391 -8.940 -6.922 1.00 3.64 H new ATOM 0 HG23 VAL A 2 -5.421 -7.774 -6.057 1.00 3.64 H new ATOM 36 N LYS A 3 -3.195 -7.303 -3.211 1.00 1.32 N ATOM 37 CA LYS A 3 -3.910 -7.092 -1.961 1.00 1.00 C ATOM 38 C LYS A 3 -2.925 -6.954 -0.819 1.00 1.03 C ATOM 39 O LYS A 3 -1.802 -7.441 -0.909 1.00 1.56 O ATOM 40 CB LYS A 3 -4.848 -8.266 -1.696 1.00 1.17 C ATOM 41 CG LYS A 3 -5.998 -8.355 -2.679 1.00 1.44 C ATOM 42 CD LYS A 3 -7.111 -7.379 -2.337 1.00 1.73 C ATOM 43 CE LYS A 3 -7.683 -7.630 -0.949 1.00 2.34 C ATOM 44 NZ LYS A 3 -8.113 -9.043 -0.764 1.00 3.09 N ATOM 0 H LYS A 3 -2.359 -7.881 -3.120 1.00 1.32 H new ATOM 0 HA LYS A 3 -4.496 -6.176 -2.038 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -4.276 -9.193 -1.733 1.00 1.17 H new ATOM 0 HB3 LYS A 3 -5.249 -8.179 -0.686 1.00 1.17 H new ATOM 0 HG2 LYS A 3 -5.632 -8.151 -3.685 1.00 1.44 H new ATOM 0 HG3 LYS A 3 -6.394 -9.370 -2.684 1.00 1.44 H new ATOM 0 HD2 LYS A 3 -6.729 -6.360 -2.393 1.00 1.73 H new ATOM 0 HD3 LYS A 3 -7.907 -7.462 -3.077 1.00 1.73 H new ATOM 0 HE2 LYS A 3 -6.933 -7.379 -0.198 1.00 2.34 H new ATOM 0 HE3 LYS A 3 -8.534 -6.969 -0.784 1.00 2.34 H new ATOM 0 HZ1 LYS A 3 -8.835 -9.091 -0.017 1.00 3.09 H new ATOM 0 HZ2 LYS A 3 -8.511 -9.404 -1.654 1.00 3.09 H new ATOM 0 HZ3 LYS A 3 -7.294 -9.622 -0.491 1.00 3.09 H new ATOM 58 N VAL A 4 -3.355 -6.330 0.262 1.00 0.84 N ATOM 59 CA VAL A 4 -2.483 -6.097 1.399 1.00 0.90 C ATOM 60 C VAL A 4 -2.647 -7.211 2.419 1.00 0.82 C ATOM 61 O VAL A 4 -3.684 -7.315 3.070 1.00 0.85 O ATOM 62 CB VAL A 4 -2.789 -4.747 2.077 1.00 1.06 C ATOM 63 CG1 VAL A 4 -1.761 -4.443 3.155 1.00 1.46 C ATOM 64 CG2 VAL A 4 -2.842 -3.627 1.049 1.00 1.31 C ATOM 0 H VAL A 4 -4.304 -5.975 0.377 1.00 0.84 H new ATOM 0 HA VAL A 4 -1.458 -6.077 1.028 1.00 0.90 H new ATOM 0 HB VAL A 4 -3.768 -4.817 2.551 1.00 1.06 H new ATOM 0 HG11 VAL A 4 -1.995 -3.486 3.621 1.00 1.46 H new ATOM 0 HG12 VAL A 4 -1.782 -5.229 3.910 1.00 1.46 H new ATOM 0 HG13 VAL A 4 -0.768 -4.396 2.708 1.00 1.46 H new ATOM 0 HG21 VAL A 4 -3.059 -2.684 1.550 1.00 1.31 H new ATOM 0 HG22 VAL A 4 -1.881 -3.555 0.540 1.00 1.31 H new ATOM 0 HG23 VAL A 4 -3.624 -3.839 0.320 1.00 1.31 H new ATOM 74 N LYS A 5 -1.612 -8.032 2.554 1.00 0.79 N ATOM 75 CA LYS A 5 -1.647 -9.177 3.455 1.00 0.77 C ATOM 76 C LYS A 5 -0.882 -8.879 4.731 1.00 0.78 C ATOM 77 O LYS A 5 -0.044 -9.675 5.169 1.00 1.45 O ATOM 78 CB LYS A 5 -1.047 -10.414 2.785 1.00 0.93 C ATOM 79 CG LYS A 5 -1.977 -11.112 1.815 1.00 1.38 C ATOM 80 CD LYS A 5 -1.317 -12.346 1.229 1.00 1.91 C ATOM 81 CE LYS A 5 -2.329 -13.283 0.596 1.00 2.43 C ATOM 82 NZ LYS A 5 -3.315 -13.782 1.590 1.00 2.70 N ATOM 0 H LYS A 5 -0.733 -7.924 2.047 1.00 0.79 H new ATOM 0 HA LYS A 5 -2.691 -9.373 3.699 1.00 0.77 H new ATOM 0 HB2 LYS A 5 -0.141 -10.122 2.254 1.00 0.93 H new ATOM 0 HB3 LYS A 5 -0.749 -11.123 3.558 1.00 0.93 H new ATOM 0 HG2 LYS A 5 -2.897 -11.394 2.326 1.00 1.38 H new ATOM 0 HG3 LYS A 5 -2.255 -10.427 1.014 1.00 1.38 H new ATOM 0 HD2 LYS A 5 -0.584 -12.045 0.481 1.00 1.91 H new ATOM 0 HD3 LYS A 5 -0.774 -12.874 2.013 1.00 1.91 H new ATOM 0 HE2 LYS A 5 -2.853 -12.764 -0.207 1.00 2.43 H new ATOM 0 HE3 LYS A 5 -1.809 -14.128 0.144 1.00 2.43 H new ATOM 0 HZ1 LYS A 5 -3.600 -14.751 1.340 1.00 2.70 H new ATOM 0 HZ2 LYS A 5 -2.884 -13.781 2.537 1.00 2.70 H new ATOM 0 HZ3 LYS A 5 -4.151 -13.164 1.590 1.00 2.70 H new ATOM 96 N PHE A 6 -1.155 -7.727 5.322 1.00 0.58 N ATOM 97 CA PHE A 6 -0.510 -7.337 6.565 1.00 0.57 C ATOM 98 C PHE A 6 -0.881 -8.286 7.698 1.00 0.58 C ATOM 99 O PHE A 6 -1.814 -9.080 7.593 1.00 0.85 O ATOM 100 CB PHE A 6 -0.878 -5.895 6.943 1.00 0.59 C ATOM 101 CG PHE A 6 -2.317 -5.686 7.341 1.00 0.58 C ATOM 102 CD1 PHE A 6 -3.331 -5.732 6.399 1.00 0.60 C ATOM 103 CD2 PHE A 6 -2.648 -5.416 8.661 1.00 0.65 C ATOM 104 CE1 PHE A 6 -4.646 -5.515 6.763 1.00 0.65 C ATOM 105 CE2 PHE A 6 -3.962 -5.202 9.030 1.00 0.70 C ATOM 106 CZ PHE A 6 -4.961 -5.251 8.080 1.00 0.67 C ATOM 0 H PHE A 6 -1.821 -7.044 4.960 1.00 0.58 H new ATOM 0 HA PHE A 6 0.567 -7.393 6.409 1.00 0.57 H new ATOM 0 HB2 PHE A 6 -0.239 -5.578 7.767 1.00 0.59 H new ATOM 0 HB3 PHE A 6 -0.653 -5.245 6.097 1.00 0.59 H new ATOM 0 HD1 PHE A 6 -3.091 -5.940 5.367 1.00 0.60 H new ATOM 0 HD2 PHE A 6 -1.870 -5.373 9.408 1.00 0.65 H new ATOM 0 HE1 PHE A 6 -5.426 -5.552 6.017 1.00 0.65 H new ATOM 0 HE2 PHE A 6 -4.207 -4.996 10.062 1.00 0.70 H new ATOM 0 HZ PHE A 6 -5.989 -5.083 8.367 1.00 0.67 H new ATOM 116 N LYS A 7 -0.138 -8.193 8.781 1.00 0.53 N ATOM 117 CA LYS A 7 -0.399 -9.014 9.944 1.00 0.57 C ATOM 118 C LYS A 7 -0.928 -8.144 11.068 1.00 0.59 C ATOM 119 O LYS A 7 -0.343 -7.116 11.394 1.00 0.63 O ATOM 120 CB LYS A 7 0.853 -9.783 10.389 1.00 0.70 C ATOM 121 CG LYS A 7 1.278 -10.891 9.427 1.00 1.34 C ATOM 122 CD LYS A 7 2.048 -10.350 8.230 1.00 1.71 C ATOM 123 CE LYS A 7 2.310 -11.428 7.187 1.00 2.66 C ATOM 124 NZ LYS A 7 1.073 -11.799 6.449 1.00 3.64 N ATOM 0 H LYS A 7 0.653 -7.556 8.880 1.00 0.53 H new ATOM 0 HA LYS A 7 -1.151 -9.758 9.680 1.00 0.57 H new ATOM 0 HB2 LYS A 7 1.677 -9.079 10.503 1.00 0.70 H new ATOM 0 HB3 LYS A 7 0.669 -10.220 11.371 1.00 0.70 H new ATOM 0 HG2 LYS A 7 1.897 -11.614 9.959 1.00 1.34 H new ATOM 0 HG3 LYS A 7 0.394 -11.425 9.077 1.00 1.34 H new ATOM 0 HD2 LYS A 7 1.486 -9.534 7.775 1.00 1.71 H new ATOM 0 HD3 LYS A 7 2.997 -9.933 8.567 1.00 1.71 H new ATOM 0 HE2 LYS A 7 3.062 -11.075 6.481 1.00 2.66 H new ATOM 0 HE3 LYS A 7 2.721 -12.312 7.674 1.00 2.66 H new ATOM 0 HZ1 LYS A 7 1.222 -12.701 5.953 1.00 3.64 H new ATOM 0 HZ2 LYS A 7 0.285 -11.899 7.120 1.00 3.64 H new ATOM 0 HZ3 LYS A 7 0.846 -11.057 5.757 1.00 3.64 H new ATOM 138 N TYR A 8 -2.033 -8.558 11.661 1.00 0.61 N ATOM 139 CA TYR A 8 -2.692 -7.767 12.681 1.00 0.67 C ATOM 140 C TYR A 8 -2.981 -8.637 13.891 1.00 0.85 C ATOM 141 O TYR A 8 -3.675 -9.649 13.773 1.00 0.86 O ATOM 142 CB TYR A 8 -3.988 -7.172 12.123 1.00 0.63 C ATOM 143 CG TYR A 8 -4.738 -6.283 13.090 1.00 0.71 C ATOM 144 CD1 TYR A 8 -4.254 -5.024 13.429 1.00 0.88 C ATOM 145 CD2 TYR A 8 -5.939 -6.696 13.653 1.00 0.82 C ATOM 146 CE1 TYR A 8 -4.943 -4.206 14.306 1.00 1.03 C ATOM 147 CE2 TYR A 8 -6.635 -5.884 14.525 1.00 0.97 C ATOM 148 CZ TYR A 8 -6.135 -4.640 14.848 1.00 1.03 C ATOM 149 OH TYR A 8 -6.832 -3.825 15.715 1.00 1.23 O ATOM 0 H TYR A 8 -2.494 -9.443 11.451 1.00 0.61 H new ATOM 0 HA TYR A 8 -2.040 -6.948 12.985 1.00 0.67 H new ATOM 0 HB2 TYR A 8 -3.753 -6.596 11.228 1.00 0.63 H new ATOM 0 HB3 TYR A 8 -4.644 -7.986 11.815 1.00 0.63 H new ATOM 0 HD1 TYR A 8 -3.325 -4.679 13.000 1.00 0.88 H new ATOM 0 HD2 TYR A 8 -6.335 -7.669 13.404 1.00 0.82 H new ATOM 0 HE1 TYR A 8 -4.550 -3.234 14.565 1.00 1.03 H new ATOM 0 HE2 TYR A 8 -7.568 -6.221 14.953 1.00 0.97 H new ATOM 0 HH TYR A 8 -7.650 -4.280 16.005 1.00 1.23 H new ATOM 159 N LYS A 9 -2.380 -8.269 15.028 1.00 1.11 N ATOM 160 CA LYS A 9 -2.576 -8.949 16.316 1.00 1.36 C ATOM 161 C LYS A 9 -1.968 -10.357 16.311 1.00 1.30 C ATOM 162 O LYS A 9 -1.900 -11.020 17.343 1.00 1.73 O ATOM 163 CB LYS A 9 -4.069 -8.928 16.716 1.00 1.70 C ATOM 164 CG LYS A 9 -4.873 -10.183 16.404 1.00 1.73 C ATOM 165 CD LYS A 9 -4.788 -11.184 17.539 1.00 2.19 C ATOM 166 CE LYS A 9 -5.631 -12.418 17.263 1.00 2.65 C ATOM 167 NZ LYS A 9 -7.082 -12.088 17.195 1.00 2.90 N ATOM 0 H LYS A 9 -1.735 -7.480 15.082 1.00 1.11 H new ATOM 0 HA LYS A 9 -2.035 -8.401 17.087 1.00 1.36 H new ATOM 0 HB2 LYS A 9 -4.133 -8.740 17.788 1.00 1.70 H new ATOM 0 HB3 LYS A 9 -4.545 -8.085 16.215 1.00 1.70 H new ATOM 0 HG2 LYS A 9 -5.915 -9.916 16.228 1.00 1.73 H new ATOM 0 HG3 LYS A 9 -4.501 -10.638 15.486 1.00 1.73 H new ATOM 0 HD2 LYS A 9 -3.749 -11.479 17.688 1.00 2.19 H new ATOM 0 HD3 LYS A 9 -5.122 -10.715 18.464 1.00 2.19 H new ATOM 0 HE2 LYS A 9 -5.316 -12.871 16.323 1.00 2.65 H new ATOM 0 HE3 LYS A 9 -5.462 -13.157 18.046 1.00 2.65 H new ATOM 0 HZ1 LYS A 9 -7.607 -12.694 17.857 1.00 2.90 H new ATOM 0 HZ2 LYS A 9 -7.224 -11.090 17.453 1.00 2.90 H new ATOM 0 HZ3 LYS A 9 -7.430 -12.249 16.228 1.00 2.90 H new ATOM 181 N GLY A 10 -1.443 -10.767 15.165 1.00 1.10 N ATOM 182 CA GLY A 10 -0.860 -12.090 15.048 1.00 1.12 C ATOM 183 C GLY A 10 -1.459 -12.900 13.920 1.00 0.98 C ATOM 184 O GLY A 10 -1.005 -14.009 13.634 1.00 1.11 O ATOM 0 H GLY A 10 -1.410 -10.207 14.313 1.00 1.10 H new ATOM 0 HA2 GLY A 10 0.214 -11.995 14.890 1.00 1.12 H new ATOM 0 HA3 GLY A 10 -0.998 -12.627 15.987 1.00 1.12 H new ATOM 188 N GLU A 11 -2.474 -12.353 13.272 1.00 0.95 N ATOM 189 CA GLU A 11 -3.118 -13.032 12.158 1.00 1.20 C ATOM 190 C GLU A 11 -2.851 -12.279 10.868 1.00 1.00 C ATOM 191 O GLU A 11 -2.607 -11.074 10.890 1.00 1.38 O ATOM 192 CB GLU A 11 -4.626 -13.123 12.386 1.00 1.69 C ATOM 193 CG GLU A 11 -5.011 -13.877 13.644 1.00 2.37 C ATOM 194 CD GLU A 11 -6.508 -14.022 13.786 1.00 3.21 C ATOM 195 OE1 GLU A 11 -7.072 -14.994 13.249 1.00 3.60 O ATOM 196 OE2 GLU A 11 -7.132 -13.160 14.435 1.00 3.81 O ATOM 0 H GLU A 11 -2.870 -11.441 13.498 1.00 0.95 H new ATOM 0 HA GLU A 11 -2.707 -14.039 12.086 1.00 1.20 H new ATOM 0 HB2 GLU A 11 -5.038 -12.115 12.438 1.00 1.69 H new ATOM 0 HB3 GLU A 11 -5.085 -13.611 11.526 1.00 1.69 H new ATOM 0 HG2 GLU A 11 -4.552 -14.865 13.628 1.00 2.37 H new ATOM 0 HG3 GLU A 11 -4.614 -13.355 14.515 1.00 2.37 H new ATOM 203 N GLU A 12 -2.888 -12.985 9.748 1.00 0.98 N ATOM 204 CA GLU A 12 -2.757 -12.336 8.455 1.00 0.87 C ATOM 205 C GLU A 12 -4.100 -11.756 8.056 1.00 0.79 C ATOM 206 O GLU A 12 -5.113 -12.455 8.057 1.00 0.89 O ATOM 207 CB GLU A 12 -2.259 -13.309 7.379 1.00 1.13 C ATOM 208 CG GLU A 12 -2.094 -12.654 6.013 1.00 1.80 C ATOM 209 CD GLU A 12 -1.467 -13.569 4.981 1.00 2.11 C ATOM 210 OE1 GLU A 12 -0.228 -13.731 5.010 1.00 2.43 O ATOM 211 OE2 GLU A 12 -2.204 -14.109 4.127 1.00 2.30 O ATOM 0 H GLU A 12 -3.006 -13.997 9.709 1.00 0.98 H new ATOM 0 HA GLU A 12 -2.016 -11.541 8.540 1.00 0.87 H new ATOM 0 HB2 GLU A 12 -1.303 -13.730 7.692 1.00 1.13 H new ATOM 0 HB3 GLU A 12 -2.960 -14.139 7.295 1.00 1.13 H new ATOM 0 HG2 GLU A 12 -3.070 -12.328 5.654 1.00 1.80 H new ATOM 0 HG3 GLU A 12 -1.478 -11.761 6.118 1.00 1.80 H new ATOM 218 N LYS A 13 -4.107 -10.479 7.740 1.00 0.71 N ATOM 219 CA LYS A 13 -5.325 -9.785 7.411 1.00 0.75 C ATOM 220 C LYS A 13 -5.199 -9.177 6.024 1.00 0.73 C ATOM 221 O LYS A 13 -4.106 -8.803 5.604 1.00 1.21 O ATOM 222 CB LYS A 13 -5.586 -8.691 8.448 1.00 0.96 C ATOM 223 CG LYS A 13 -7.046 -8.542 8.805 1.00 0.86 C ATOM 224 CD LYS A 13 -7.284 -7.389 9.767 1.00 1.44 C ATOM 225 CE LYS A 13 -8.769 -7.085 9.908 1.00 2.02 C ATOM 226 NZ LYS A 13 -9.031 -6.007 10.898 1.00 2.73 N ATOM 0 H LYS A 13 -3.270 -9.898 7.705 1.00 0.71 H new ATOM 0 HA LYS A 13 -6.162 -10.484 7.418 1.00 0.75 H new ATOM 0 HB2 LYS A 13 -5.019 -8.914 9.352 1.00 0.96 H new ATOM 0 HB3 LYS A 13 -5.214 -7.741 8.065 1.00 0.96 H new ATOM 0 HG2 LYS A 13 -7.626 -8.381 7.896 1.00 0.86 H new ATOM 0 HG3 LYS A 13 -7.406 -9.468 9.254 1.00 0.86 H new ATOM 0 HD2 LYS A 13 -6.866 -7.635 10.743 1.00 1.44 H new ATOM 0 HD3 LYS A 13 -6.761 -6.501 9.411 1.00 1.44 H new ATOM 0 HE2 LYS A 13 -9.171 -6.791 8.939 1.00 2.02 H new ATOM 0 HE3 LYS A 13 -9.296 -7.990 10.211 1.00 2.02 H new ATOM 0 HZ1 LYS A 13 -9.918 -5.521 10.656 1.00 2.73 H new ATOM 0 HZ2 LYS A 13 -9.111 -6.421 11.849 1.00 2.73 H new ATOM 0 HZ3 LYS A 13 -8.247 -5.324 10.883 1.00 2.73 H new ATOM 240 N GLU A 14 -6.308 -9.086 5.315 1.00 0.55 N ATOM 241 CA GLU A 14 -6.318 -8.464 4.007 1.00 0.54 C ATOM 242 C GLU A 14 -7.289 -7.302 3.997 1.00 0.65 C ATOM 243 O GLU A 14 -8.503 -7.486 4.110 1.00 0.88 O ATOM 244 CB GLU A 14 -6.674 -9.467 2.910 1.00 0.60 C ATOM 245 CG GLU A 14 -5.518 -10.369 2.520 1.00 1.38 C ATOM 246 CD GLU A 14 -5.833 -11.235 1.320 1.00 1.90 C ATOM 247 OE1 GLU A 14 -6.263 -10.685 0.286 1.00 2.38 O ATOM 248 OE2 GLU A 14 -5.656 -12.470 1.407 1.00 2.39 O ATOM 0 H GLU A 14 -7.215 -9.436 5.625 1.00 0.55 H new ATOM 0 HA GLU A 14 -5.313 -8.095 3.800 1.00 0.54 H new ATOM 0 HB2 GLU A 14 -7.508 -10.083 3.248 1.00 0.60 H new ATOM 0 HB3 GLU A 14 -7.015 -8.924 2.028 1.00 0.60 H new ATOM 0 HG2 GLU A 14 -4.643 -9.757 2.302 1.00 1.38 H new ATOM 0 HG3 GLU A 14 -5.259 -11.007 3.365 1.00 1.38 H new ATOM 255 N VAL A 15 -6.754 -6.105 3.865 1.00 0.68 N ATOM 256 CA VAL A 15 -7.565 -4.906 3.902 1.00 0.82 C ATOM 257 C VAL A 15 -7.832 -4.406 2.491 1.00 0.72 C ATOM 258 O VAL A 15 -6.941 -4.414 1.638 1.00 1.19 O ATOM 259 CB VAL A 15 -6.893 -3.792 4.738 1.00 1.20 C ATOM 260 CG1 VAL A 15 -5.548 -3.391 4.144 1.00 1.53 C ATOM 261 CG2 VAL A 15 -7.803 -2.580 4.867 1.00 2.11 C ATOM 0 H VAL A 15 -5.757 -5.937 3.731 1.00 0.68 H new ATOM 0 HA VAL A 15 -8.511 -5.161 4.379 1.00 0.82 H new ATOM 0 HB VAL A 15 -6.716 -4.193 5.736 1.00 1.20 H new ATOM 0 HG11 VAL A 15 -5.100 -2.606 4.754 1.00 1.53 H new ATOM 0 HG12 VAL A 15 -4.886 -4.257 4.124 1.00 1.53 H new ATOM 0 HG13 VAL A 15 -5.694 -3.023 3.129 1.00 1.53 H new ATOM 0 HG21 VAL A 15 -7.305 -1.813 5.460 1.00 2.11 H new ATOM 0 HG22 VAL A 15 -8.026 -2.185 3.876 1.00 2.11 H new ATOM 0 HG23 VAL A 15 -8.731 -2.872 5.358 1.00 2.11 H new ATOM 271 N ASP A 16 -9.072 -4.027 2.237 1.00 0.76 N ATOM 272 CA ASP A 16 -9.424 -3.385 0.984 1.00 0.98 C ATOM 273 C ASP A 16 -8.935 -1.950 1.006 1.00 0.91 C ATOM 274 O ASP A 16 -9.275 -1.187 1.915 1.00 1.57 O ATOM 275 CB ASP A 16 -10.934 -3.418 0.751 1.00 1.33 C ATOM 276 CG ASP A 16 -11.469 -4.820 0.552 1.00 1.87 C ATOM 277 OD1 ASP A 16 -11.679 -5.530 1.561 1.00 2.08 O ATOM 278 OD2 ASP A 16 -11.699 -5.213 -0.611 1.00 2.64 O ATOM 0 H ASP A 16 -9.852 -4.153 2.882 1.00 0.76 H new ATOM 0 HA ASP A 16 -8.948 -3.928 0.168 1.00 0.98 H new ATOM 0 HB2 ASP A 16 -11.438 -2.960 1.602 1.00 1.33 H new ATOM 0 HB3 ASP A 16 -11.175 -2.815 -0.125 1.00 1.33 H new ATOM 283 N THR A 17 -8.151 -1.592 0.000 1.00 0.98 N ATOM 284 CA THR A 17 -7.511 -0.282 -0.071 1.00 0.92 C ATOM 285 C THR A 17 -8.539 0.848 -0.214 1.00 0.85 C ATOM 286 O THR A 17 -8.209 2.027 -0.097 1.00 1.17 O ATOM 287 CB THR A 17 -6.514 -0.259 -1.247 1.00 1.36 C ATOM 288 OG1 THR A 17 -5.704 -1.440 -1.199 1.00 1.66 O ATOM 289 CG2 THR A 17 -5.613 0.963 -1.184 1.00 1.86 C ATOM 0 H THR A 17 -7.939 -2.200 -0.791 1.00 0.98 H new ATOM 0 HA THR A 17 -6.976 -0.113 0.864 1.00 0.92 H new ATOM 0 HB THR A 17 -7.082 -0.220 -2.177 1.00 1.36 H new ATOM 0 HG1 THR A 17 -6.142 -2.158 -1.702 1.00 1.66 H new ATOM 0 HG21 THR A 17 -4.922 0.949 -2.027 1.00 1.86 H new ATOM 0 HG22 THR A 17 -6.221 1.866 -1.228 1.00 1.86 H new ATOM 0 HG23 THR A 17 -5.048 0.951 -0.252 1.00 1.86 H new ATOM 297 N SER A 18 -9.790 0.484 -0.448 1.00 0.73 N ATOM 298 CA SER A 18 -10.867 1.459 -0.463 1.00 0.86 C ATOM 299 C SER A 18 -11.137 1.998 0.945 1.00 0.82 C ATOM 300 O SER A 18 -11.535 3.150 1.109 1.00 1.13 O ATOM 301 CB SER A 18 -12.127 0.816 -1.034 1.00 1.16 C ATOM 302 OG SER A 18 -11.827 0.101 -2.223 1.00 1.81 O ATOM 0 H SER A 18 -10.083 -0.476 -0.629 1.00 0.73 H new ATOM 0 HA SER A 18 -10.571 2.298 -1.092 1.00 0.86 H new ATOM 0 HB2 SER A 18 -12.563 0.141 -0.298 1.00 1.16 H new ATOM 0 HB3 SER A 18 -12.871 1.584 -1.243 1.00 1.16 H new ATOM 0 HG SER A 18 -12.646 -0.307 -2.575 1.00 1.81 H new ATOM 308 N LYS A 19 -10.914 1.174 1.962 1.00 0.68 N ATOM 309 CA LYS A 19 -11.059 1.614 3.339 1.00 0.75 C ATOM 310 C LYS A 19 -9.699 1.871 3.961 1.00 0.68 C ATOM 311 O LYS A 19 -9.305 1.209 4.922 1.00 1.06 O ATOM 312 CB LYS A 19 -11.822 0.595 4.186 1.00 0.99 C ATOM 313 CG LYS A 19 -13.320 0.590 3.953 1.00 1.25 C ATOM 314 CD LYS A 19 -14.055 -0.127 5.078 1.00 1.92 C ATOM 315 CE LYS A 19 -13.675 -1.598 5.162 1.00 2.22 C ATOM 316 NZ LYS A 19 -14.324 -2.281 6.312 1.00 3.07 N ATOM 0 H LYS A 19 -10.633 0.199 1.856 1.00 0.68 H new ATOM 0 HA LYS A 19 -11.634 2.540 3.320 1.00 0.75 H new ATOM 0 HB2 LYS A 19 -11.430 -0.400 3.977 1.00 0.99 H new ATOM 0 HB3 LYS A 19 -11.630 0.799 5.239 1.00 0.99 H new ATOM 0 HG2 LYS A 19 -13.681 1.616 3.876 1.00 1.25 H new ATOM 0 HG3 LYS A 19 -13.540 0.102 3.003 1.00 1.25 H new ATOM 0 HD2 LYS A 19 -13.829 0.360 6.027 1.00 1.92 H new ATOM 0 HD3 LYS A 19 -15.130 -0.039 4.922 1.00 1.92 H new ATOM 0 HE2 LYS A 19 -13.960 -2.098 4.237 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -12.592 -1.687 5.252 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -14.036 -3.280 6.330 1.00 3.07 H new ATOM 0 HZ2 LYS A 19 -14.033 -1.821 7.198 1.00 3.07 H new ATOM 0 HZ3 LYS A 19 -15.358 -2.220 6.214 1.00 3.07 H new ATOM 330 N ILE A 20 -8.975 2.816 3.399 1.00 0.74 N ATOM 331 CA ILE A 20 -7.708 3.249 3.959 1.00 0.71 C ATOM 332 C ILE A 20 -7.909 4.634 4.565 1.00 0.78 C ATOM 333 O ILE A 20 -8.768 5.394 4.111 1.00 1.22 O ATOM 334 CB ILE A 20 -6.591 3.281 2.883 1.00 1.02 C ATOM 335 CG1 ILE A 20 -6.278 1.863 2.401 1.00 1.33 C ATOM 336 CG2 ILE A 20 -5.321 3.950 3.403 1.00 1.79 C ATOM 337 CD1 ILE A 20 -5.816 0.932 3.501 1.00 1.72 C ATOM 0 H ILE A 20 -9.245 3.305 2.545 1.00 0.74 H new ATOM 0 HA ILE A 20 -7.389 2.542 4.724 1.00 0.71 H new ATOM 0 HB ILE A 20 -6.959 3.874 2.046 1.00 1.02 H new ATOM 0 HG12 ILE A 20 -7.169 1.444 1.933 1.00 1.33 H new ATOM 0 HG13 ILE A 20 -5.507 1.913 1.632 1.00 1.33 H new ATOM 0 HG21 ILE A 20 -4.564 3.952 2.619 1.00 1.79 H new ATOM 0 HG22 ILE A 20 -5.544 4.976 3.695 1.00 1.79 H new ATOM 0 HG23 ILE A 20 -4.948 3.400 4.267 1.00 1.79 H new ATOM 0 HD11 ILE A 20 -5.614 -0.054 3.082 1.00 1.72 H new ATOM 0 HD12 ILE A 20 -4.907 1.327 3.954 1.00 1.72 H new ATOM 0 HD13 ILE A 20 -6.594 0.851 4.260 1.00 1.72 H new ATOM 349 N LYS A 21 -7.150 4.950 5.597 1.00 0.62 N ATOM 350 CA LYS A 21 -7.261 6.236 6.260 1.00 0.88 C ATOM 351 C LYS A 21 -6.072 7.112 5.877 1.00 0.78 C ATOM 352 O LYS A 21 -6.241 8.211 5.356 1.00 1.17 O ATOM 353 CB LYS A 21 -7.301 6.039 7.779 1.00 1.13 C ATOM 354 CG LYS A 21 -7.825 7.239 8.556 1.00 1.52 C ATOM 355 CD LYS A 21 -9.348 7.296 8.557 1.00 1.92 C ATOM 356 CE LYS A 21 -9.952 6.034 9.160 1.00 2.23 C ATOM 357 NZ LYS A 21 -11.420 6.157 9.370 1.00 2.46 N ATOM 0 H LYS A 21 -6.446 4.330 5.997 1.00 0.62 H new ATOM 0 HA LYS A 21 -8.183 6.725 5.945 1.00 0.88 H new ATOM 0 HB2 LYS A 21 -7.926 5.175 8.005 1.00 1.13 H new ATOM 0 HB3 LYS A 21 -6.296 5.806 8.129 1.00 1.13 H new ATOM 0 HG2 LYS A 21 -7.463 7.192 9.583 1.00 1.52 H new ATOM 0 HG3 LYS A 21 -7.428 8.155 8.119 1.00 1.52 H new ATOM 0 HD2 LYS A 21 -9.680 8.166 9.123 1.00 1.92 H new ATOM 0 HD3 LYS A 21 -9.709 7.422 7.536 1.00 1.92 H new ATOM 0 HE2 LYS A 21 -9.751 5.188 8.503 1.00 2.23 H new ATOM 0 HE3 LYS A 21 -9.467 5.821 10.113 1.00 2.23 H new ATOM 0 HZ1 LYS A 21 -11.809 5.235 9.653 1.00 2.46 H new ATOM 0 HZ2 LYS A 21 -11.606 6.855 10.118 1.00 2.46 H new ATOM 0 HZ3 LYS A 21 -11.872 6.467 8.486 1.00 2.46 H new ATOM 371 N LYS A 22 -4.869 6.615 6.146 1.00 0.67 N ATOM 372 CA LYS A 22 -3.644 7.323 5.798 1.00 0.70 C ATOM 373 C LYS A 22 -2.530 6.314 5.524 1.00 0.51 C ATOM 374 O LYS A 22 -2.478 5.265 6.158 1.00 0.50 O ATOM 375 CB LYS A 22 -3.243 8.268 6.934 1.00 1.07 C ATOM 376 CG LYS A 22 -2.259 9.347 6.517 1.00 1.44 C ATOM 377 CD LYS A 22 -1.969 10.301 7.664 1.00 2.03 C ATOM 378 CE LYS A 22 -1.183 11.519 7.201 1.00 2.77 C ATOM 379 NZ LYS A 22 0.146 11.160 6.638 1.00 3.08 N ATOM 0 H LYS A 22 -4.717 5.718 6.607 1.00 0.67 H new ATOM 0 HA LYS A 22 -3.813 7.916 4.899 1.00 0.70 H new ATOM 0 HB2 LYS A 22 -4.140 8.742 7.333 1.00 1.07 H new ATOM 0 HB3 LYS A 22 -2.805 7.683 7.743 1.00 1.07 H new ATOM 0 HG2 LYS A 22 -1.330 8.886 6.181 1.00 1.44 H new ATOM 0 HG3 LYS A 22 -2.663 9.903 5.671 1.00 1.44 H new ATOM 0 HD2 LYS A 22 -2.908 10.624 8.114 1.00 2.03 H new ATOM 0 HD3 LYS A 22 -1.407 9.778 8.438 1.00 2.03 H new ATOM 0 HE2 LYS A 22 -1.760 12.055 6.447 1.00 2.77 H new ATOM 0 HE3 LYS A 22 -1.046 12.200 8.041 1.00 2.77 H new ATOM 0 HZ1 LYS A 22 0.675 12.028 6.416 1.00 3.08 H new ATOM 0 HZ2 LYS A 22 0.678 10.599 7.334 1.00 3.08 H new ATOM 0 HZ3 LYS A 22 0.016 10.602 5.770 1.00 3.08 H new ATOM 393 N VAL A 23 -1.649 6.615 4.583 1.00 0.49 N ATOM 394 CA VAL A 23 -0.544 5.713 4.273 1.00 0.49 C ATOM 395 C VAL A 23 0.797 6.451 4.322 1.00 0.51 C ATOM 396 O VAL A 23 0.954 7.522 3.732 1.00 0.63 O ATOM 397 CB VAL A 23 -0.747 5.029 2.898 1.00 0.64 C ATOM 398 CG1 VAL A 23 -0.796 6.048 1.769 1.00 1.56 C ATOM 399 CG2 VAL A 23 0.333 3.991 2.647 1.00 1.29 C ATOM 0 H VAL A 23 -1.674 7.468 4.024 1.00 0.49 H new ATOM 0 HA VAL A 23 -0.529 4.933 5.035 1.00 0.49 H new ATOM 0 HB VAL A 23 -1.711 4.520 2.921 1.00 0.64 H new ATOM 0 HG11 VAL A 23 -0.939 5.532 0.819 1.00 1.56 H new ATOM 0 HG12 VAL A 23 -1.624 6.737 1.936 1.00 1.56 H new ATOM 0 HG13 VAL A 23 0.140 6.606 1.741 1.00 1.56 H new ATOM 0 HG21 VAL A 23 0.170 3.524 1.676 1.00 1.29 H new ATOM 0 HG22 VAL A 23 1.311 4.473 2.658 1.00 1.29 H new ATOM 0 HG23 VAL A 23 0.295 3.230 3.427 1.00 1.29 H new ATOM 409 N ALA A 24 1.758 5.888 5.053 1.00 0.45 N ATOM 410 CA ALA A 24 3.043 6.546 5.249 1.00 0.51 C ATOM 411 C ALA A 24 4.185 5.541 5.392 1.00 0.46 C ATOM 412 O ALA A 24 3.962 4.342 5.579 1.00 0.44 O ATOM 413 CB ALA A 24 2.980 7.449 6.473 1.00 0.65 C ATOM 0 H ALA A 24 1.670 4.983 5.516 1.00 0.45 H new ATOM 0 HA ALA A 24 3.248 7.146 4.362 1.00 0.51 H new ATOM 0 HB1 ALA A 24 3.944 7.938 6.614 1.00 0.65 H new ATOM 0 HB2 ALA A 24 2.207 8.204 6.329 1.00 0.65 H new ATOM 0 HB3 ALA A 24 2.744 6.852 7.354 1.00 0.65 H new ATOM 419 N ARG A 25 5.407 6.050 5.298 1.00 0.60 N ATOM 420 CA ARG A 25 6.612 5.255 5.500 1.00 0.65 C ATOM 421 C ARG A 25 7.126 5.480 6.917 1.00 0.67 C ATOM 422 O ARG A 25 7.202 6.620 7.373 1.00 0.76 O ATOM 423 CB ARG A 25 7.695 5.664 4.496 1.00 0.86 C ATOM 424 CG ARG A 25 7.472 5.164 3.076 1.00 1.27 C ATOM 425 CD ARG A 25 7.731 3.670 2.966 1.00 1.80 C ATOM 426 NE ARG A 25 7.889 3.232 1.578 1.00 2.24 N ATOM 427 CZ ARG A 25 8.887 2.451 1.157 1.00 2.94 C ATOM 428 NH1 ARG A 25 9.826 2.056 2.007 1.00 3.40 N ATOM 429 NH2 ARG A 25 8.951 2.076 -0.112 1.00 3.61 N ATOM 0 H ARG A 25 5.591 7.029 5.079 1.00 0.60 H new ATOM 0 HA ARG A 25 6.374 4.202 5.351 1.00 0.65 H new ATOM 0 HB2 ARG A 25 7.760 6.752 4.477 1.00 0.86 H new ATOM 0 HB3 ARG A 25 8.657 5.293 4.850 1.00 0.86 H new ATOM 0 HG2 ARG A 25 6.449 5.381 2.769 1.00 1.27 H new ATOM 0 HG3 ARG A 25 8.130 5.700 2.392 1.00 1.27 H new ATOM 0 HD2 ARG A 25 8.630 3.417 3.528 1.00 1.80 H new ATOM 0 HD3 ARG A 25 6.905 3.126 3.424 1.00 1.80 H new ATOM 0 HE ARG A 25 7.198 3.541 0.894 1.00 2.24 H new ATOM 0 HH11 ARG A 25 9.786 2.349 2.983 1.00 3.40 H new ATOM 0 HH12 ARG A 25 10.588 1.459 1.684 1.00 3.40 H new ATOM 0 HH21 ARG A 25 8.236 2.384 -0.771 1.00 3.61 H new ATOM 0 HH22 ARG A 25 9.715 1.479 -0.430 1.00 3.61 H new ATOM 443 N VAL A 26 7.473 4.407 7.617 1.00 0.70 N ATOM 444 CA VAL A 26 7.978 4.541 8.978 1.00 0.81 C ATOM 445 C VAL A 26 9.495 4.342 9.033 1.00 0.92 C ATOM 446 O VAL A 26 10.243 5.274 8.731 1.00 1.51 O ATOM 447 CB VAL A 26 7.252 3.614 9.981 1.00 0.95 C ATOM 448 CG1 VAL A 26 5.893 4.197 10.338 1.00 1.32 C ATOM 449 CG2 VAL A 26 7.083 2.212 9.419 1.00 1.07 C ATOM 0 H VAL A 26 7.416 3.449 7.272 1.00 0.70 H new ATOM 0 HA VAL A 26 7.760 5.563 9.288 1.00 0.81 H new ATOM 0 HB VAL A 26 7.866 3.545 10.879 1.00 0.95 H new ATOM 0 HG11 VAL A 26 5.389 3.538 11.045 1.00 1.32 H new ATOM 0 HG12 VAL A 26 6.026 5.180 10.790 1.00 1.32 H new ATOM 0 HG13 VAL A 26 5.289 4.291 9.435 1.00 1.32 H new ATOM 0 HG21 VAL A 26 6.569 1.587 10.149 1.00 1.07 H new ATOM 0 HG22 VAL A 26 6.496 2.256 8.502 1.00 1.07 H new ATOM 0 HG23 VAL A 26 8.063 1.786 9.202 1.00 1.07 H new ATOM 459 N GLY A 27 9.960 3.155 9.408 1.00 0.93 N ATOM 460 CA GLY A 27 11.387 2.911 9.450 1.00 0.96 C ATOM 461 C GLY A 27 11.824 1.832 8.480 1.00 0.89 C ATOM 462 O GLY A 27 12.260 2.128 7.368 1.00 0.98 O ATOM 0 H GLY A 27 9.378 2.364 9.682 1.00 0.93 H new ATOM 0 HA2 GLY A 27 11.917 3.836 9.221 1.00 0.96 H new ATOM 0 HA3 GLY A 27 11.673 2.622 10.461 1.00 0.96 H new ATOM 466 N LYS A 28 11.687 0.579 8.895 1.00 0.91 N ATOM 467 CA LYS A 28 12.131 -0.554 8.085 1.00 0.97 C ATOM 468 C LYS A 28 10.969 -1.122 7.285 1.00 0.77 C ATOM 469 O LYS A 28 11.146 -1.984 6.424 1.00 0.86 O ATOM 470 CB LYS A 28 12.693 -1.657 8.986 1.00 1.22 C ATOM 471 CG LYS A 28 13.684 -1.160 10.022 1.00 1.60 C ATOM 472 CD LYS A 28 13.994 -2.238 11.046 1.00 1.99 C ATOM 473 CE LYS A 28 14.791 -1.681 12.214 1.00 2.47 C ATOM 474 NZ LYS A 28 14.128 -0.496 12.822 1.00 3.21 N ATOM 0 H LYS A 28 11.271 0.319 9.789 1.00 0.91 H new ATOM 0 HA LYS A 28 12.905 -0.202 7.404 1.00 0.97 H new ATOM 0 HB2 LYS A 28 11.867 -2.152 9.496 1.00 1.22 H new ATOM 0 HB3 LYS A 28 13.179 -2.408 8.364 1.00 1.22 H new ATOM 0 HG2 LYS A 28 14.604 -0.848 9.528 1.00 1.60 H new ATOM 0 HG3 LYS A 28 13.279 -0.282 10.525 1.00 1.60 H new ATOM 0 HD2 LYS A 28 13.064 -2.672 11.412 1.00 1.99 H new ATOM 0 HD3 LYS A 28 14.556 -3.042 10.571 1.00 1.99 H new ATOM 0 HE2 LYS A 28 14.916 -2.455 12.971 1.00 2.47 H new ATOM 0 HE3 LYS A 28 15.789 -1.404 11.874 1.00 2.47 H new ATOM 0 HZ1 LYS A 28 14.233 -0.532 13.856 1.00 3.21 H new ATOM 0 HZ2 LYS A 28 14.570 0.373 12.459 1.00 3.21 H new ATOM 0 HZ3 LYS A 28 13.118 -0.499 12.576 1.00 3.21 H new ATOM 488 N MET A 29 9.774 -0.645 7.587 1.00 0.60 N ATOM 489 CA MET A 29 8.568 -1.187 6.996 1.00 0.52 C ATOM 490 C MET A 29 7.591 -0.073 6.649 1.00 0.43 C ATOM 491 O MET A 29 7.919 1.110 6.735 1.00 0.47 O ATOM 492 CB MET A 29 7.914 -2.196 7.956 1.00 0.60 C ATOM 493 CG MET A 29 7.364 -1.598 9.249 1.00 1.39 C ATOM 494 SD MET A 29 8.648 -0.984 10.361 1.00 1.86 S ATOM 495 CE MET A 29 7.661 -0.541 11.791 1.00 2.42 C ATOM 0 H MET A 29 9.615 0.121 8.242 1.00 0.60 H new ATOM 0 HA MET A 29 8.837 -1.703 6.074 1.00 0.52 H new ATOM 0 HB2 MET A 29 7.101 -2.698 7.432 1.00 0.60 H new ATOM 0 HB3 MET A 29 8.649 -2.960 8.211 1.00 0.60 H new ATOM 0 HG2 MET A 29 6.686 -0.781 9.003 1.00 1.39 H new ATOM 0 HG3 MET A 29 6.776 -2.354 9.768 1.00 1.39 H new ATOM 0 HE1 MET A 29 8.085 0.344 12.265 1.00 2.42 H new ATOM 0 HE2 MET A 29 6.639 -0.330 11.476 1.00 2.42 H new ATOM 0 HE3 MET A 29 7.659 -1.367 12.502 1.00 2.42 H new ATOM 505 N VAL A 30 6.394 -0.462 6.255 1.00 0.52 N ATOM 506 CA VAL A 30 5.343 0.477 5.926 1.00 0.45 C ATOM 507 C VAL A 30 4.188 0.322 6.905 1.00 0.44 C ATOM 508 O VAL A 30 3.586 -0.747 7.002 1.00 0.61 O ATOM 509 CB VAL A 30 4.819 0.262 4.489 1.00 0.56 C ATOM 510 CG1 VAL A 30 3.674 1.215 4.185 1.00 0.54 C ATOM 511 CG2 VAL A 30 5.944 0.429 3.476 1.00 0.61 C ATOM 0 H VAL A 30 6.124 -1.440 6.154 1.00 0.52 H new ATOM 0 HA VAL A 30 5.763 1.481 5.993 1.00 0.45 H new ATOM 0 HB VAL A 30 4.441 -0.757 4.413 1.00 0.56 H new ATOM 0 HG11 VAL A 30 3.320 1.046 3.168 1.00 0.54 H new ATOM 0 HG12 VAL A 30 2.858 1.039 4.887 1.00 0.54 H new ATOM 0 HG13 VAL A 30 4.021 2.244 4.282 1.00 0.54 H new ATOM 0 HG21 VAL A 30 5.554 0.274 2.470 1.00 0.61 H new ATOM 0 HG22 VAL A 30 6.357 1.435 3.554 1.00 0.61 H new ATOM 0 HG23 VAL A 30 6.727 -0.302 3.678 1.00 0.61 H new ATOM 521 N SER A 31 3.898 1.376 7.643 1.00 0.35 N ATOM 522 CA SER A 31 2.786 1.361 8.573 1.00 0.39 C ATOM 523 C SER A 31 1.667 2.245 8.054 1.00 0.37 C ATOM 524 O SER A 31 1.810 3.465 7.974 1.00 0.48 O ATOM 525 CB SER A 31 3.235 1.826 9.957 1.00 0.53 C ATOM 526 OG SER A 31 4.232 0.968 10.482 1.00 1.25 O ATOM 0 H SER A 31 4.417 2.254 7.617 1.00 0.35 H new ATOM 0 HA SER A 31 2.417 0.339 8.661 1.00 0.39 H new ATOM 0 HB2 SER A 31 3.621 2.843 9.895 1.00 0.53 H new ATOM 0 HB3 SER A 31 2.379 1.851 10.632 1.00 0.53 H new ATOM 0 HG SER A 31 4.505 1.287 11.368 1.00 1.25 H new ATOM 532 N PHE A 32 0.565 1.623 7.691 1.00 0.34 N ATOM 533 CA PHE A 32 -0.559 2.345 7.141 1.00 0.34 C ATOM 534 C PHE A 32 -1.698 2.391 8.145 1.00 0.34 C ATOM 535 O PHE A 32 -1.760 1.589 9.083 1.00 0.35 O ATOM 536 CB PHE A 32 -1.027 1.705 5.822 1.00 0.35 C ATOM 537 CG PHE A 32 -1.526 0.286 5.952 1.00 0.37 C ATOM 538 CD1 PHE A 32 -2.854 0.030 6.268 1.00 0.42 C ATOM 539 CD2 PHE A 32 -0.672 -0.790 5.754 1.00 0.49 C ATOM 540 CE1 PHE A 32 -3.316 -1.267 6.383 1.00 0.53 C ATOM 541 CE2 PHE A 32 -1.134 -2.089 5.868 1.00 0.61 C ATOM 542 CZ PHE A 32 -2.455 -2.325 6.184 1.00 0.61 C ATOM 0 H PHE A 32 0.425 0.616 7.768 1.00 0.34 H new ATOM 0 HA PHE A 32 -0.241 3.366 6.928 1.00 0.34 H new ATOM 0 HB2 PHE A 32 -1.822 2.318 5.399 1.00 0.35 H new ATOM 0 HB3 PHE A 32 -0.200 1.721 5.112 1.00 0.35 H new ATOM 0 HD1 PHE A 32 -3.534 0.854 6.426 1.00 0.42 H new ATOM 0 HD2 PHE A 32 0.364 -0.611 5.508 1.00 0.49 H new ATOM 0 HE1 PHE A 32 -4.351 -1.452 6.629 1.00 0.53 H new ATOM 0 HE2 PHE A 32 -0.460 -2.918 5.710 1.00 0.61 H new ATOM 0 HZ PHE A 32 -2.815 -3.339 6.276 1.00 0.61 H new ATOM 552 N THR A 33 -2.583 3.338 7.949 1.00 0.38 N ATOM 553 CA THR A 33 -3.779 3.456 8.748 1.00 0.46 C ATOM 554 C THR A 33 -4.980 3.128 7.874 1.00 0.50 C ATOM 555 O THR A 33 -5.141 3.705 6.801 1.00 0.62 O ATOM 556 CB THR A 33 -3.915 4.881 9.321 1.00 0.57 C ATOM 557 OG1 THR A 33 -2.696 5.258 9.973 1.00 1.17 O ATOM 558 CG2 THR A 33 -5.070 4.973 10.306 1.00 1.06 C ATOM 0 H THR A 33 -2.493 4.053 7.227 1.00 0.38 H new ATOM 0 HA THR A 33 -3.725 2.761 9.586 1.00 0.46 H new ATOM 0 HB THR A 33 -4.118 5.561 8.493 1.00 0.57 H new ATOM 0 HG1 THR A 33 -2.785 6.165 10.334 1.00 1.17 H new ATOM 0 HG21 THR A 33 -5.139 5.990 10.692 1.00 1.06 H new ATOM 0 HG22 THR A 33 -6.000 4.712 9.801 1.00 1.06 H new ATOM 0 HG23 THR A 33 -4.900 4.282 11.132 1.00 1.06 H new ATOM 566 N TYR A 34 -5.812 2.206 8.319 1.00 0.54 N ATOM 567 CA TYR A 34 -6.944 1.772 7.516 1.00 0.63 C ATOM 568 C TYR A 34 -8.241 1.979 8.284 1.00 0.70 C ATOM 569 O TYR A 34 -8.265 2.705 9.279 1.00 0.95 O ATOM 570 CB TYR A 34 -6.771 0.312 7.060 1.00 0.69 C ATOM 571 CG TYR A 34 -6.837 -0.745 8.150 1.00 0.64 C ATOM 572 CD1 TYR A 34 -5.799 -0.923 9.056 1.00 0.66 C ATOM 573 CD2 TYR A 34 -7.934 -1.593 8.240 1.00 0.76 C ATOM 574 CE1 TYR A 34 -5.856 -1.915 10.020 1.00 0.72 C ATOM 575 CE2 TYR A 34 -7.999 -2.580 9.201 1.00 0.81 C ATOM 576 CZ TYR A 34 -6.960 -2.740 10.087 1.00 0.75 C ATOM 577 OH TYR A 34 -7.024 -3.732 11.044 1.00 0.87 O ATOM 0 H TYR A 34 -5.729 1.745 9.225 1.00 0.54 H new ATOM 0 HA TYR A 34 -6.990 2.382 6.614 1.00 0.63 H new ATOM 0 HB2 TYR A 34 -7.541 0.091 6.321 1.00 0.69 H new ATOM 0 HB3 TYR A 34 -5.809 0.223 6.554 1.00 0.69 H new ATOM 0 HD1 TYR A 34 -4.934 -0.278 9.008 1.00 0.66 H new ATOM 0 HD2 TYR A 34 -8.752 -1.477 7.544 1.00 0.76 H new ATOM 0 HE1 TYR A 34 -5.040 -2.043 10.716 1.00 0.72 H new ATOM 0 HE2 TYR A 34 -8.863 -3.225 9.257 1.00 0.81 H new ATOM 0 HH TYR A 34 -7.804 -3.583 11.618 1.00 0.87 H new ATOM 587 N ASP A 35 -9.306 1.332 7.851 1.00 1.05 N ATOM 588 CA ASP A 35 -10.622 1.621 8.390 1.00 1.19 C ATOM 589 C ASP A 35 -11.365 0.333 8.688 1.00 1.20 C ATOM 590 O ASP A 35 -12.158 -0.162 7.887 1.00 1.46 O ATOM 591 CB ASP A 35 -11.428 2.506 7.436 1.00 1.51 C ATOM 592 CG ASP A 35 -12.695 3.043 8.077 1.00 1.63 C ATOM 593 OD1 ASP A 35 -12.591 3.782 9.081 1.00 2.12 O ATOM 594 OD2 ASP A 35 -13.795 2.754 7.564 1.00 1.99 O ATOM 0 H ASP A 35 -9.287 0.608 7.133 1.00 1.05 H new ATOM 0 HA ASP A 35 -10.494 2.170 9.323 1.00 1.19 H new ATOM 0 HB2 ASP A 35 -10.808 3.340 7.108 1.00 1.51 H new ATOM 0 HB3 ASP A 35 -11.689 1.933 6.546 1.00 1.51 H new ATOM 599 N ASP A 36 -11.047 -0.220 9.841 1.00 1.24 N ATOM 600 CA ASP A 36 -11.732 -1.392 10.355 1.00 1.47 C ATOM 601 C ASP A 36 -12.769 -0.915 11.353 1.00 1.69 C ATOM 602 O ASP A 36 -13.946 -0.772 11.025 1.00 2.10 O ATOM 603 CB ASP A 36 -10.726 -2.333 11.023 1.00 1.93 C ATOM 604 CG ASP A 36 -11.332 -3.655 11.437 1.00 2.68 C ATOM 605 OD1 ASP A 36 -11.344 -4.588 10.614 1.00 3.47 O ATOM 606 OD2 ASP A 36 -11.825 -3.755 12.581 1.00 2.88 O ATOM 0 H ASP A 36 -10.306 0.129 10.449 1.00 1.24 H new ATOM 0 HA ASP A 36 -12.216 -1.944 9.549 1.00 1.47 H new ATOM 0 HB2 ASP A 36 -9.900 -2.518 10.336 1.00 1.93 H new ATOM 0 HB3 ASP A 36 -10.306 -1.842 11.901 1.00 1.93 H new ATOM 611 N ASN A 37 -12.318 -0.644 12.564 1.00 2.04 N ATOM 612 CA ASN A 37 -13.088 0.169 13.492 1.00 2.52 C ATOM 613 C ASN A 37 -13.103 1.608 12.982 1.00 2.87 C ATOM 614 O ASN A 37 -12.150 2.041 12.330 1.00 3.52 O ATOM 615 CB ASN A 37 -12.503 0.089 14.912 1.00 3.11 C ATOM 616 CG ASN A 37 -10.984 0.239 14.984 1.00 3.61 C ATOM 617 OD1 ASN A 37 -10.346 -0.352 15.851 1.00 4.37 O ATOM 618 ND2 ASN A 37 -10.388 1.025 14.097 1.00 3.58 N ATOM 0 H ASN A 37 -11.424 -0.973 12.929 1.00 2.04 H new ATOM 0 HA ASN A 37 -14.110 -0.207 13.547 1.00 2.52 H new ATOM 0 HB2 ASN A 37 -12.961 0.866 15.524 1.00 3.11 H new ATOM 0 HB3 ASN A 37 -12.782 -0.869 15.352 1.00 3.11 H new ATOM 0 HD21 ASN A 37 -9.376 1.150 14.125 1.00 3.58 H new ATOM 0 HD22 ASN A 37 -10.942 1.504 13.387 1.00 3.58 H new ATOM 625 N GLY A 38 -14.170 2.342 13.265 1.00 3.05 N ATOM 626 CA GLY A 38 -14.311 3.682 12.723 1.00 3.84 C ATOM 627 C GLY A 38 -13.430 4.697 13.426 1.00 3.87 C ATOM 628 O GLY A 38 -13.928 5.565 14.142 1.00 4.27 O ATOM 0 H GLY A 38 -14.940 2.036 13.859 1.00 3.05 H new ATOM 0 HA2 GLY A 38 -14.064 3.667 11.661 1.00 3.84 H new ATOM 0 HA3 GLY A 38 -15.352 3.994 12.804 1.00 3.84 H new ATOM 632 N LYS A 39 -12.124 4.581 13.205 1.00 3.58 N ATOM 633 CA LYS A 39 -11.136 5.464 13.814 1.00 3.65 C ATOM 634 C LYS A 39 -9.748 5.163 13.240 1.00 3.06 C ATOM 635 O LYS A 39 -9.613 4.931 12.039 1.00 3.00 O ATOM 636 CB LYS A 39 -11.157 5.325 15.347 1.00 3.97 C ATOM 637 CG LYS A 39 -11.024 3.897 15.852 1.00 4.01 C ATOM 638 CD LYS A 39 -11.261 3.817 17.353 1.00 4.09 C ATOM 639 CE LYS A 39 -11.226 2.383 17.850 1.00 4.30 C ATOM 640 NZ LYS A 39 -11.683 2.277 19.260 1.00 4.81 N ATOM 0 H LYS A 39 -11.720 3.869 12.596 1.00 3.58 H new ATOM 0 HA LYS A 39 -11.385 6.499 13.578 1.00 3.65 H new ATOM 0 HB2 LYS A 39 -10.346 5.922 15.765 1.00 3.97 H new ATOM 0 HB3 LYS A 39 -12.089 5.745 15.725 1.00 3.97 H new ATOM 0 HG2 LYS A 39 -11.739 3.258 15.334 1.00 4.01 H new ATOM 0 HG3 LYS A 39 -10.029 3.517 15.618 1.00 4.01 H new ATOM 0 HD2 LYS A 39 -10.502 4.401 17.873 1.00 4.09 H new ATOM 0 HD3 LYS A 39 -12.226 4.262 17.594 1.00 4.09 H new ATOM 0 HE2 LYS A 39 -11.859 1.763 17.215 1.00 4.30 H new ATOM 0 HE3 LYS A 39 -10.211 1.994 17.766 1.00 4.30 H new ATOM 0 HZ1 LYS A 39 -11.645 1.283 19.563 1.00 4.81 H new ATOM 0 HZ2 LYS A 39 -11.064 2.849 19.869 1.00 4.81 H new ATOM 0 HZ3 LYS A 39 -12.660 2.625 19.335 1.00 4.81 H new ATOM 654 N THR A 40 -8.730 5.139 14.085 1.00 2.83 N ATOM 655 CA THR A 40 -7.371 4.923 13.620 1.00 2.37 C ATOM 656 C THR A 40 -6.994 3.442 13.717 1.00 1.60 C ATOM 657 O THR A 40 -6.559 2.970 14.769 1.00 2.02 O ATOM 658 CB THR A 40 -6.366 5.773 14.427 1.00 2.76 C ATOM 659 OG1 THR A 40 -6.735 7.159 14.361 1.00 2.97 O ATOM 660 CG2 THR A 40 -4.950 5.598 13.896 1.00 3.08 C ATOM 0 H THR A 40 -8.819 5.266 15.093 1.00 2.83 H new ATOM 0 HA THR A 40 -7.327 5.232 12.576 1.00 2.37 H new ATOM 0 HB THR A 40 -6.391 5.434 15.463 1.00 2.76 H new ATOM 0 HG1 THR A 40 -6.095 7.693 14.876 1.00 2.97 H new ATOM 0 HG21 THR A 40 -4.263 6.208 14.483 1.00 3.08 H new ATOM 0 HG22 THR A 40 -4.660 4.550 13.972 1.00 3.08 H new ATOM 0 HG23 THR A 40 -4.912 5.910 12.852 1.00 3.08 H new ATOM 668 N GLY A 41 -7.210 2.701 12.635 1.00 1.15 N ATOM 669 CA GLY A 41 -6.782 1.316 12.593 1.00 0.83 C ATOM 670 C GLY A 41 -5.327 1.203 12.183 1.00 0.61 C ATOM 671 O GLY A 41 -4.855 1.980 11.352 1.00 0.62 O ATOM 0 H GLY A 41 -7.672 3.034 11.789 1.00 1.15 H new ATOM 0 HA2 GLY A 41 -6.923 0.859 13.573 1.00 0.83 H new ATOM 0 HA3 GLY A 41 -7.404 0.762 11.891 1.00 0.83 H new ATOM 675 N ARG A 42 -4.617 0.232 12.736 1.00 0.52 N ATOM 676 CA ARG A 42 -3.187 0.115 12.512 1.00 0.51 C ATOM 677 C ARG A 42 -2.861 -1.138 11.707 1.00 0.47 C ATOM 678 O ARG A 42 -3.335 -2.229 12.022 1.00 0.61 O ATOM 679 CB ARG A 42 -2.454 0.085 13.857 1.00 0.76 C ATOM 680 CG ARG A 42 -0.968 -0.237 13.756 1.00 1.24 C ATOM 681 CD ARG A 42 -0.200 0.827 12.983 1.00 1.30 C ATOM 682 NE ARG A 42 -0.251 2.134 13.639 1.00 1.86 N ATOM 683 CZ ARG A 42 0.739 3.030 13.594 1.00 2.34 C ATOM 684 NH1 ARG A 42 1.874 2.744 12.966 1.00 2.55 N ATOM 685 NH2 ARG A 42 0.603 4.205 14.191 1.00 3.13 N ATOM 0 H ARG A 42 -5.010 -0.487 13.344 1.00 0.52 H new ATOM 0 HA ARG A 42 -2.854 0.980 11.939 1.00 0.51 H new ATOM 0 HB2 ARG A 42 -2.571 1.054 14.343 1.00 0.76 H new ATOM 0 HB3 ARG A 42 -2.931 -0.654 14.501 1.00 0.76 H new ATOM 0 HG2 ARG A 42 -0.549 -0.329 14.758 1.00 1.24 H new ATOM 0 HG3 ARG A 42 -0.840 -1.203 13.267 1.00 1.24 H new ATOM 0 HD2 ARG A 42 0.839 0.517 12.877 1.00 1.30 H new ATOM 0 HD3 ARG A 42 -0.612 0.911 11.977 1.00 1.30 H new ATOM 0 HE ARG A 42 -1.093 2.375 14.162 1.00 1.86 H new ATOM 0 HH11 ARG A 42 1.993 1.837 12.515 1.00 2.55 H new ATOM 0 HH12 ARG A 42 2.627 3.432 12.935 1.00 2.55 H new ATOM 0 HH21 ARG A 42 -0.260 4.428 14.687 1.00 3.13 H new ATOM 0 HH22 ARG A 42 1.361 4.886 14.154 1.00 3.13 H new ATOM 699 N GLY A 43 -2.081 -0.963 10.654 1.00 0.40 N ATOM 700 CA GLY A 43 -1.588 -2.088 9.894 1.00 0.43 C ATOM 701 C GLY A 43 -0.190 -1.824 9.390 1.00 0.38 C ATOM 702 O GLY A 43 0.097 -0.729 8.918 1.00 0.39 O ATOM 0 H GLY A 43 -1.778 -0.052 10.310 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -1.592 -2.983 10.517 1.00 0.43 H new ATOM 0 HA3 GLY A 43 -2.252 -2.283 9.052 1.00 0.43 H new ATOM 706 N ALA A 44 0.685 -2.802 9.491 1.00 0.38 N ATOM 707 CA ALA A 44 2.061 -2.615 9.065 1.00 0.39 C ATOM 708 C ALA A 44 2.556 -3.810 8.268 1.00 0.44 C ATOM 709 O ALA A 44 2.299 -4.958 8.624 1.00 0.53 O ATOM 710 CB ALA A 44 2.963 -2.371 10.266 1.00 0.46 C ATOM 0 H ALA A 44 0.473 -3.729 9.861 1.00 0.38 H new ATOM 0 HA ALA A 44 2.094 -1.739 8.417 1.00 0.39 H new ATOM 0 HB1 ALA A 44 3.990 -2.233 9.928 1.00 0.46 H new ATOM 0 HB2 ALA A 44 2.632 -1.477 10.794 1.00 0.46 H new ATOM 0 HB3 ALA A 44 2.914 -3.228 10.938 1.00 0.46 H new ATOM 716 N VAL A 45 3.249 -3.520 7.180 1.00 0.45 N ATOM 717 CA VAL A 45 3.864 -4.537 6.339 1.00 0.54 C ATOM 718 C VAL A 45 5.296 -4.123 6.064 1.00 0.47 C ATOM 719 O VAL A 45 5.578 -2.932 5.962 1.00 0.49 O ATOM 720 CB VAL A 45 3.141 -4.679 4.976 1.00 0.70 C ATOM 721 CG1 VAL A 45 3.604 -5.929 4.241 1.00 1.21 C ATOM 722 CG2 VAL A 45 1.633 -4.682 5.143 1.00 1.50 C ATOM 0 H VAL A 45 3.403 -2.567 6.852 1.00 0.45 H new ATOM 0 HA VAL A 45 3.804 -5.491 6.863 1.00 0.54 H new ATOM 0 HB VAL A 45 3.406 -3.810 4.374 1.00 0.70 H new ATOM 0 HG11 VAL A 45 3.081 -6.005 3.288 1.00 1.21 H new ATOM 0 HG12 VAL A 45 4.678 -5.869 4.062 1.00 1.21 H new ATOM 0 HG13 VAL A 45 3.385 -6.809 4.846 1.00 1.21 H new ATOM 0 HG21 VAL A 45 1.159 -4.783 4.167 1.00 1.50 H new ATOM 0 HG22 VAL A 45 1.339 -5.518 5.778 1.00 1.50 H new ATOM 0 HG23 VAL A 45 1.316 -3.747 5.605 1.00 1.50 H new ATOM 732 N SER A 46 6.202 -5.074 5.944 1.00 0.51 N ATOM 733 CA SER A 46 7.569 -4.750 5.593 1.00 0.62 C ATOM 734 C SER A 46 7.619 -4.364 4.120 1.00 0.74 C ATOM 735 O SER A 46 6.965 -4.982 3.286 1.00 1.13 O ATOM 736 CB SER A 46 8.484 -5.938 5.896 1.00 0.78 C ATOM 737 OG SER A 46 7.855 -7.163 5.564 1.00 1.26 O ATOM 0 H SER A 46 6.018 -6.068 6.083 1.00 0.51 H new ATOM 0 HA SER A 46 7.922 -3.907 6.187 1.00 0.62 H new ATOM 0 HB2 SER A 46 9.413 -5.838 5.334 1.00 0.78 H new ATOM 0 HB3 SER A 46 8.749 -5.936 6.953 1.00 0.78 H new ATOM 0 HG SER A 46 7.321 -7.047 4.751 1.00 1.26 H new ATOM 743 N GLU A 47 8.385 -3.315 3.818 1.00 0.64 N ATOM 744 CA GLU A 47 8.397 -2.726 2.481 1.00 0.78 C ATOM 745 C GLU A 47 8.914 -3.710 1.440 1.00 0.69 C ATOM 746 O GLU A 47 8.617 -3.589 0.254 1.00 0.81 O ATOM 747 CB GLU A 47 9.235 -1.447 2.471 1.00 1.15 C ATOM 748 CG GLU A 47 10.641 -1.635 3.011 1.00 1.53 C ATOM 749 CD GLU A 47 11.425 -0.339 3.032 1.00 1.83 C ATOM 750 OE1 GLU A 47 11.809 0.143 1.946 1.00 2.01 O ATOM 751 OE2 GLU A 47 11.645 0.215 4.127 1.00 2.34 O ATOM 0 H GLU A 47 9.006 -2.856 4.484 1.00 0.64 H new ATOM 0 HA GLU A 47 7.369 -2.477 2.218 1.00 0.78 H new ATOM 0 HB2 GLU A 47 9.295 -1.070 1.450 1.00 1.15 H new ATOM 0 HB3 GLU A 47 8.727 -0.685 3.063 1.00 1.15 H new ATOM 0 HG2 GLU A 47 10.589 -2.042 4.021 1.00 1.53 H new ATOM 0 HG3 GLU A 47 11.168 -2.367 2.399 1.00 1.53 H new ATOM 758 N LYS A 48 9.689 -4.679 1.896 1.00 0.67 N ATOM 759 CA LYS A 48 10.174 -5.746 1.032 1.00 0.76 C ATOM 760 C LYS A 48 9.033 -6.680 0.620 1.00 0.70 C ATOM 761 O LYS A 48 9.126 -7.380 -0.386 1.00 0.83 O ATOM 762 CB LYS A 48 11.283 -6.525 1.740 1.00 0.93 C ATOM 763 CG LYS A 48 12.425 -5.637 2.218 1.00 1.63 C ATOM 764 CD LYS A 48 13.545 -6.446 2.851 1.00 2.06 C ATOM 765 CE LYS A 48 13.050 -7.278 4.024 1.00 2.59 C ATOM 766 NZ LYS A 48 14.146 -8.059 4.654 1.00 3.35 N ATOM 0 H LYS A 48 9.998 -4.750 2.865 1.00 0.67 H new ATOM 0 HA LYS A 48 10.581 -5.300 0.124 1.00 0.76 H new ATOM 0 HB2 LYS A 48 10.859 -7.053 2.594 1.00 0.93 H new ATOM 0 HB3 LYS A 48 11.678 -7.281 1.061 1.00 0.93 H new ATOM 0 HG2 LYS A 48 12.819 -5.068 1.376 1.00 1.63 H new ATOM 0 HG3 LYS A 48 12.045 -4.915 2.941 1.00 1.63 H new ATOM 0 HD2 LYS A 48 13.987 -7.102 2.101 1.00 2.06 H new ATOM 0 HD3 LYS A 48 14.332 -5.773 3.190 1.00 2.06 H new ATOM 0 HE2 LYS A 48 12.598 -6.622 4.768 1.00 2.59 H new ATOM 0 HE3 LYS A 48 12.270 -7.958 3.682 1.00 2.59 H new ATOM 0 HZ1 LYS A 48 13.766 -8.612 5.449 1.00 3.35 H new ATOM 0 HZ2 LYS A 48 14.561 -8.703 3.951 1.00 3.35 H new ATOM 0 HZ3 LYS A 48 14.879 -7.409 5.003 1.00 3.35 H new ATOM 780 N ASP A 49 7.956 -6.683 1.400 1.00 0.59 N ATOM 781 CA ASP A 49 6.781 -7.501 1.099 1.00 0.65 C ATOM 782 C ASP A 49 5.626 -6.617 0.620 1.00 0.66 C ATOM 783 O ASP A 49 4.460 -7.005 0.681 1.00 0.72 O ATOM 784 CB ASP A 49 6.364 -8.305 2.342 1.00 0.68 C ATOM 785 CG ASP A 49 5.348 -9.399 2.041 1.00 1.28 C ATOM 786 OD1 ASP A 49 5.736 -10.464 1.506 1.00 1.27 O ATOM 787 OD2 ASP A 49 4.149 -9.187 2.306 1.00 2.22 O ATOM 0 H ASP A 49 7.871 -6.126 2.250 1.00 0.59 H new ATOM 0 HA ASP A 49 7.034 -8.199 0.301 1.00 0.65 H new ATOM 0 HB2 ASP A 49 7.250 -8.755 2.789 1.00 0.68 H new ATOM 0 HB3 ASP A 49 5.945 -7.624 3.083 1.00 0.68 H new ATOM 792 N ALA A 50 5.955 -5.427 0.123 1.00 0.69 N ATOM 793 CA ALA A 50 4.937 -4.484 -0.337 1.00 0.72 C ATOM 794 C ALA A 50 4.215 -5.026 -1.567 1.00 0.70 C ATOM 795 O ALA A 50 4.821 -5.205 -2.627 1.00 0.79 O ATOM 796 CB ALA A 50 5.558 -3.127 -0.635 1.00 0.87 C ATOM 0 H ALA A 50 6.914 -5.093 0.028 1.00 0.69 H new ATOM 0 HA ALA A 50 4.205 -4.358 0.460 1.00 0.72 H new ATOM 0 HB1 ALA A 50 4.784 -2.440 -0.976 1.00 0.87 H new ATOM 0 HB2 ALA A 50 6.021 -2.732 0.269 1.00 0.87 H new ATOM 0 HB3 ALA A 50 6.314 -3.236 -1.412 1.00 0.87 H new ATOM 802 N PRO A 51 2.909 -5.301 -1.430 1.00 0.65 N ATOM 803 CA PRO A 51 2.105 -5.931 -2.467 1.00 0.70 C ATOM 804 C PRO A 51 1.393 -4.935 -3.386 1.00 0.72 C ATOM 805 O PRO A 51 0.435 -4.284 -2.976 1.00 1.01 O ATOM 806 CB PRO A 51 1.094 -6.729 -1.647 1.00 0.72 C ATOM 807 CG PRO A 51 0.930 -5.973 -0.361 1.00 0.73 C ATOM 808 CD PRO A 51 2.107 -5.035 -0.228 1.00 0.64 C ATOM 0 HA PRO A 51 2.712 -6.523 -3.152 1.00 0.70 H new ATOM 0 HB2 PRO A 51 0.144 -6.817 -2.174 1.00 0.72 H new ATOM 0 HB3 PRO A 51 1.451 -7.742 -1.463 1.00 0.72 H new ATOM 0 HG2 PRO A 51 -0.006 -5.415 -0.362 1.00 0.73 H new ATOM 0 HG3 PRO A 51 0.891 -6.660 0.484 1.00 0.73 H new ATOM 0 HD2 PRO A 51 1.786 -3.994 -0.185 1.00 0.64 H new ATOM 0 HD3 PRO A 51 2.674 -5.232 0.682 1.00 0.64 H new ATOM 816 N LYS A 52 1.912 -4.834 -4.613 1.00 0.61 N ATOM 817 CA LYS A 52 1.340 -4.054 -5.728 1.00 0.70 C ATOM 818 C LYS A 52 0.365 -2.943 -5.319 1.00 0.60 C ATOM 819 O LYS A 52 0.771 -1.788 -5.188 1.00 0.70 O ATOM 820 CB LYS A 52 0.679 -4.998 -6.734 1.00 1.04 C ATOM 821 CG LYS A 52 1.615 -6.095 -7.218 1.00 1.38 C ATOM 822 CD LYS A 52 1.064 -6.824 -8.432 1.00 2.01 C ATOM 823 CE LYS A 52 0.979 -5.903 -9.638 1.00 2.22 C ATOM 824 NZ LYS A 52 0.624 -6.645 -10.873 1.00 2.97 N ATOM 0 H LYS A 52 2.776 -5.310 -4.873 1.00 0.61 H new ATOM 0 HA LYS A 52 2.183 -3.532 -6.180 1.00 0.70 H new ATOM 0 HB2 LYS A 52 -0.199 -5.453 -6.276 1.00 1.04 H new ATOM 0 HB3 LYS A 52 0.329 -4.421 -7.590 1.00 1.04 H new ATOM 0 HG2 LYS A 52 2.584 -5.661 -7.465 1.00 1.38 H new ATOM 0 HG3 LYS A 52 1.782 -6.809 -6.412 1.00 1.38 H new ATOM 0 HD2 LYS A 52 1.701 -7.677 -8.667 1.00 2.01 H new ATOM 0 HD3 LYS A 52 0.074 -7.219 -8.203 1.00 2.01 H new ATOM 0 HE2 LYS A 52 0.235 -5.129 -9.452 1.00 2.22 H new ATOM 0 HE3 LYS A 52 1.935 -5.399 -9.779 1.00 2.22 H new ATOM 0 HZ1 LYS A 52 0.576 -5.983 -11.674 1.00 2.97 H new ATOM 0 HZ2 LYS A 52 1.347 -7.367 -11.064 1.00 2.97 H new ATOM 0 HZ3 LYS A 52 -0.300 -7.105 -10.748 1.00 2.97 H new ATOM 838 N GLU A 53 -0.921 -3.293 -5.160 1.00 0.67 N ATOM 839 CA GLU A 53 -1.975 -2.316 -4.839 1.00 0.82 C ATOM 840 C GLU A 53 -1.588 -1.373 -3.690 1.00 0.80 C ATOM 841 O GLU A 53 -1.972 -0.206 -3.688 1.00 1.00 O ATOM 842 CB GLU A 53 -3.282 -3.049 -4.516 1.00 1.09 C ATOM 843 CG GLU A 53 -4.499 -2.135 -4.442 1.00 1.69 C ATOM 844 CD GLU A 53 -5.807 -2.896 -4.326 1.00 2.07 C ATOM 845 OE1 GLU A 53 -6.361 -3.300 -5.369 1.00 2.33 O ATOM 846 OE2 GLU A 53 -6.279 -3.107 -3.184 1.00 2.77 O ATOM 0 H GLU A 53 -1.258 -4.252 -5.249 1.00 0.67 H new ATOM 0 HA GLU A 53 -2.112 -1.689 -5.720 1.00 0.82 H new ATOM 0 HB2 GLU A 53 -3.457 -3.811 -5.276 1.00 1.09 H new ATOM 0 HB3 GLU A 53 -3.171 -3.568 -3.564 1.00 1.09 H new ATOM 0 HG2 GLU A 53 -4.395 -1.470 -3.585 1.00 1.69 H new ATOM 0 HG3 GLU A 53 -4.529 -1.506 -5.332 1.00 1.69 H new ATOM 853 N LEU A 54 -0.807 -1.864 -2.737 1.00 0.69 N ATOM 854 CA LEU A 54 -0.368 -1.039 -1.615 1.00 0.74 C ATOM 855 C LEU A 54 0.922 -0.306 -1.969 1.00 0.78 C ATOM 856 O LEU A 54 1.113 0.849 -1.602 1.00 1.15 O ATOM 857 CB LEU A 54 -0.142 -1.902 -0.369 1.00 0.78 C ATOM 858 CG LEU A 54 0.319 -1.139 0.877 1.00 0.83 C ATOM 859 CD1 LEU A 54 -0.774 -0.204 1.376 1.00 1.34 C ATOM 860 CD2 LEU A 54 0.734 -2.108 1.972 1.00 1.82 C ATOM 0 H LEU A 54 -0.465 -2.825 -2.716 1.00 0.69 H new ATOM 0 HA LEU A 54 -1.149 -0.309 -1.404 1.00 0.74 H new ATOM 0 HB2 LEU A 54 -1.070 -2.423 -0.134 1.00 0.78 H new ATOM 0 HB3 LEU A 54 0.601 -2.664 -0.604 1.00 0.78 H new ATOM 0 HG LEU A 54 1.184 -0.534 0.605 1.00 0.83 H new ATOM 0 HD11 LEU A 54 -0.423 0.326 2.261 1.00 1.34 H new ATOM 0 HD12 LEU A 54 -1.021 0.516 0.596 1.00 1.34 H new ATOM 0 HD13 LEU A 54 -1.662 -0.784 1.629 1.00 1.34 H new ATOM 0 HD21 LEU A 54 1.058 -1.548 2.849 1.00 1.82 H new ATOM 0 HD22 LEU A 54 -0.113 -2.741 2.238 1.00 1.82 H new ATOM 0 HD23 LEU A 54 1.554 -2.731 1.615 1.00 1.82 H new ATOM 872 N LEU A 55 1.790 -0.987 -2.702 1.00 0.63 N ATOM 873 CA LEU A 55 3.091 -0.434 -3.079 1.00 0.65 C ATOM 874 C LEU A 55 2.933 0.842 -3.913 1.00 0.66 C ATOM 875 O LEU A 55 3.652 1.816 -3.695 1.00 0.76 O ATOM 876 CB LEU A 55 3.881 -1.498 -3.860 1.00 0.68 C ATOM 877 CG LEU A 55 5.382 -1.232 -4.068 1.00 0.99 C ATOM 878 CD1 LEU A 55 6.096 -2.527 -4.419 1.00 1.18 C ATOM 879 CD2 LEU A 55 5.622 -0.208 -5.172 1.00 1.87 C ATOM 0 H LEU A 55 1.619 -1.930 -3.052 1.00 0.63 H new ATOM 0 HA LEU A 55 3.636 -0.164 -2.175 1.00 0.65 H new ATOM 0 HB2 LEU A 55 3.773 -2.450 -3.341 1.00 0.68 H new ATOM 0 HB3 LEU A 55 3.417 -1.615 -4.840 1.00 0.68 H new ATOM 0 HG LEU A 55 5.778 -0.830 -3.136 1.00 0.99 H new ATOM 0 HD11 LEU A 55 7.158 -2.329 -4.564 1.00 1.18 H new ATOM 0 HD12 LEU A 55 5.968 -3.244 -3.608 1.00 1.18 H new ATOM 0 HD13 LEU A 55 5.675 -2.938 -5.336 1.00 1.18 H new ATOM 0 HD21 LEU A 55 6.693 -0.045 -5.291 1.00 1.87 H new ATOM 0 HD22 LEU A 55 5.205 -0.578 -6.109 1.00 1.87 H new ATOM 0 HD23 LEU A 55 5.139 0.733 -4.907 1.00 1.87 H new ATOM 891 N ASP A 56 1.974 0.858 -4.829 1.00 0.64 N ATOM 892 CA ASP A 56 1.774 2.033 -5.678 1.00 0.69 C ATOM 893 C ASP A 56 1.166 3.180 -4.870 1.00 0.76 C ATOM 894 O ASP A 56 1.265 4.348 -5.247 1.00 0.90 O ATOM 895 CB ASP A 56 0.891 1.703 -6.882 1.00 0.79 C ATOM 896 CG ASP A 56 0.950 2.783 -7.950 1.00 1.12 C ATOM 897 OD1 ASP A 56 1.963 2.868 -8.669 1.00 1.33 O ATOM 898 OD2 ASP A 56 -0.024 3.565 -8.067 1.00 1.59 O ATOM 0 H ASP A 56 1.330 0.087 -5.005 1.00 0.64 H new ATOM 0 HA ASP A 56 2.749 2.345 -6.052 1.00 0.69 H new ATOM 0 HB2 ASP A 56 1.206 0.752 -7.312 1.00 0.79 H new ATOM 0 HB3 ASP A 56 -0.140 1.578 -6.551 1.00 0.79 H new ATOM 903 N MET A 57 0.559 2.839 -3.739 1.00 0.75 N ATOM 904 CA MET A 57 0.006 3.842 -2.838 1.00 0.87 C ATOM 905 C MET A 57 1.128 4.539 -2.078 1.00 0.95 C ATOM 906 O MET A 57 1.030 5.724 -1.750 1.00 1.44 O ATOM 907 CB MET A 57 -0.991 3.217 -1.858 1.00 0.97 C ATOM 908 CG MET A 57 -2.229 2.649 -2.528 1.00 1.08 C ATOM 909 SD MET A 57 -3.131 3.881 -3.488 1.00 1.54 S ATOM 910 CE MET A 57 -4.478 2.887 -4.127 1.00 2.05 C ATOM 0 H MET A 57 0.438 1.876 -3.425 1.00 0.75 H new ATOM 0 HA MET A 57 -0.529 4.578 -3.438 1.00 0.87 H new ATOM 0 HB2 MET A 57 -0.492 2.423 -1.303 1.00 0.97 H new ATOM 0 HB3 MET A 57 -1.295 3.971 -1.132 1.00 0.97 H new ATOM 0 HG2 MET A 57 -1.938 1.827 -3.182 1.00 1.08 H new ATOM 0 HG3 MET A 57 -2.890 2.233 -1.768 1.00 1.08 H new ATOM 0 HE1 MET A 57 -4.866 3.342 -5.038 1.00 2.05 H new ATOM 0 HE2 MET A 57 -4.116 1.883 -4.349 1.00 2.05 H new ATOM 0 HE3 MET A 57 -5.273 2.830 -3.383 1.00 2.05 H new ATOM 920 N LEU A 58 2.204 3.803 -1.822 1.00 0.84 N ATOM 921 CA LEU A 58 3.387 4.371 -1.182 1.00 0.89 C ATOM 922 C LEU A 58 4.176 5.180 -2.195 1.00 0.97 C ATOM 923 O LEU A 58 4.895 6.121 -1.846 1.00 1.36 O ATOM 924 CB LEU A 58 4.284 3.276 -0.588 1.00 0.97 C ATOM 925 CG LEU A 58 3.929 2.816 0.827 1.00 0.87 C ATOM 926 CD1 LEU A 58 3.874 4.004 1.775 1.00 1.63 C ATOM 927 CD2 LEU A 58 2.615 2.053 0.836 1.00 1.59 C ATOM 0 H LEU A 58 2.282 2.811 -2.048 1.00 0.84 H new ATOM 0 HA LEU A 58 3.054 5.015 -0.368 1.00 0.89 H new ATOM 0 HB2 LEU A 58 4.253 2.410 -1.249 1.00 0.97 H new ATOM 0 HB3 LEU A 58 5.312 3.638 -0.584 1.00 0.97 H new ATOM 0 HG LEU A 58 4.710 2.139 1.172 1.00 0.87 H new ATOM 0 HD11 LEU A 58 3.620 3.658 2.777 1.00 1.63 H new ATOM 0 HD12 LEU A 58 4.846 4.498 1.797 1.00 1.63 H new ATOM 0 HD13 LEU A 58 3.117 4.709 1.432 1.00 1.63 H new ATOM 0 HD21 LEU A 58 2.385 1.737 1.853 1.00 1.59 H new ATOM 0 HD22 LEU A 58 1.817 2.698 0.467 1.00 1.59 H new ATOM 0 HD23 LEU A 58 2.699 1.176 0.194 1.00 1.59 H new ATOM 939 N ALA A 59 4.006 4.829 -3.460 1.00 0.84 N ATOM 940 CA ALA A 59 4.740 5.461 -4.540 1.00 0.93 C ATOM 941 C ALA A 59 4.352 6.926 -4.690 1.00 0.99 C ATOM 942 O ALA A 59 5.113 7.723 -5.228 1.00 1.11 O ATOM 943 CB ALA A 59 4.514 4.710 -5.842 1.00 1.07 C ATOM 0 H ALA A 59 3.359 4.102 -3.764 1.00 0.84 H new ATOM 0 HA ALA A 59 5.801 5.423 -4.294 1.00 0.93 H new ATOM 0 HB1 ALA A 59 5.071 5.196 -6.643 1.00 1.07 H new ATOM 0 HB2 ALA A 59 4.858 3.681 -5.733 1.00 1.07 H new ATOM 0 HB3 ALA A 59 3.451 4.714 -6.085 1.00 1.07 H new ATOM 949 N ARG A 60 3.191 7.297 -4.171 1.00 1.13 N ATOM 950 CA ARG A 60 2.740 8.684 -4.238 1.00 1.40 C ATOM 951 C ARG A 60 3.540 9.551 -3.265 1.00 1.53 C ATOM 952 O ARG A 60 3.346 10.768 -3.189 1.00 1.94 O ATOM 953 CB ARG A 60 1.246 8.761 -3.914 1.00 1.59 C ATOM 954 CG ARG A 60 0.420 7.709 -4.630 1.00 1.74 C ATOM 955 CD ARG A 60 -1.060 7.832 -4.306 1.00 1.93 C ATOM 956 NE ARG A 60 -1.803 6.651 -4.742 1.00 2.28 N ATOM 957 CZ ARG A 60 -2.287 6.484 -5.969 1.00 2.83 C ATOM 958 NH1 ARG A 60 -2.140 7.429 -6.889 1.00 3.12 N ATOM 959 NH2 ARG A 60 -2.914 5.361 -6.275 1.00 3.60 N ATOM 0 H ARG A 60 2.545 6.663 -3.701 1.00 1.13 H new ATOM 0 HA ARG A 60 2.903 9.060 -5.248 1.00 1.40 H new ATOM 0 HB2 ARG A 60 1.109 8.650 -2.838 1.00 1.59 H new ATOM 0 HB3 ARG A 60 0.874 9.750 -4.183 1.00 1.59 H new ATOM 0 HG2 ARG A 60 0.565 7.804 -5.706 1.00 1.74 H new ATOM 0 HG3 ARG A 60 0.772 6.717 -4.347 1.00 1.74 H new ATOM 0 HD2 ARG A 60 -1.189 7.968 -3.232 1.00 1.93 H new ATOM 0 HD3 ARG A 60 -1.467 8.719 -4.791 1.00 1.93 H new ATOM 0 HE ARG A 60 -1.960 5.908 -4.061 1.00 2.28 H new ATOM 0 HH11 ARG A 60 -1.652 8.294 -6.658 1.00 3.12 H new ATOM 0 HH12 ARG A 60 -2.515 7.290 -7.827 1.00 3.12 H new ATOM 0 HH21 ARG A 60 -3.024 4.630 -5.572 1.00 3.60 H new ATOM 0 HH22 ARG A 60 -3.288 5.225 -7.214 1.00 3.60 H new ATOM 973 N ALA A 61 4.443 8.913 -2.532 1.00 1.52 N ATOM 974 CA ALA A 61 5.307 9.608 -1.592 1.00 1.79 C ATOM 975 C ALA A 61 6.773 9.245 -1.831 1.00 1.71 C ATOM 976 O ALA A 61 7.647 10.105 -1.763 1.00 2.10 O ATOM 977 CB ALA A 61 4.908 9.281 -0.160 1.00 1.95 C ATOM 0 H ALA A 61 4.595 7.905 -2.573 1.00 1.52 H new ATOM 0 HA ALA A 61 5.189 10.680 -1.751 1.00 1.79 H new ATOM 0 HB1 ALA A 61 5.565 9.810 0.531 1.00 1.95 H new ATOM 0 HB2 ALA A 61 3.877 9.592 0.010 1.00 1.95 H new ATOM 0 HB3 ALA A 61 4.996 8.207 0.006 1.00 1.95 H new ATOM 983 N GLU A 62 7.028 7.975 -2.137 1.00 1.51 N ATOM 984 CA GLU A 62 8.399 7.496 -2.299 1.00 1.64 C ATOM 985 C GLU A 62 8.930 7.790 -3.700 1.00 1.93 C ATOM 986 O GLU A 62 10.114 8.063 -3.884 1.00 2.42 O ATOM 987 CB GLU A 62 8.500 5.998 -1.996 1.00 1.89 C ATOM 988 CG GLU A 62 7.689 5.119 -2.933 1.00 2.14 C ATOM 989 CD GLU A 62 7.845 3.650 -2.620 1.00 2.57 C ATOM 990 OE1 GLU A 62 7.185 3.169 -1.679 1.00 2.91 O ATOM 991 OE2 GLU A 62 8.646 2.977 -3.300 1.00 2.98 O ATOM 0 H GLU A 62 6.310 7.264 -2.277 1.00 1.51 H new ATOM 0 HA GLU A 62 9.017 8.035 -1.581 1.00 1.64 H new ATOM 0 HB2 GLU A 62 9.546 5.698 -2.048 1.00 1.89 H new ATOM 0 HB3 GLU A 62 8.169 5.822 -0.973 1.00 1.89 H new ATOM 0 HG2 GLU A 62 6.636 5.393 -2.864 1.00 2.14 H new ATOM 0 HG3 GLU A 62 8.000 5.304 -3.961 1.00 2.14 H new ATOM 998 N ARG A 63 8.052 7.719 -4.683 1.00 2.16 N ATOM 999 CA ARG A 63 8.424 7.994 -6.066 1.00 2.69 C ATOM 1000 C ARG A 63 8.574 9.495 -6.274 1.00 2.85 C ATOM 1001 O ARG A 63 9.420 9.945 -7.048 1.00 3.26 O ATOM 1002 CB ARG A 63 7.370 7.415 -7.017 1.00 3.11 C ATOM 1003 CG ARG A 63 7.924 6.436 -8.043 1.00 3.13 C ATOM 1004 CD ARG A 63 6.826 5.548 -8.621 1.00 3.11 C ATOM 1005 NE ARG A 63 5.668 6.315 -9.085 1.00 2.92 N ATOM 1006 CZ ARG A 63 4.450 5.797 -9.277 1.00 3.14 C ATOM 1007 NH1 ARG A 63 4.236 4.493 -9.119 1.00 3.60 N ATOM 1008 NH2 ARG A 63 3.450 6.583 -9.648 1.00 3.44 N ATOM 0 H ARG A 63 7.071 7.472 -4.552 1.00 2.16 H new ATOM 0 HA ARG A 63 9.381 7.519 -6.283 1.00 2.69 H new ATOM 0 HB2 ARG A 63 6.603 6.911 -6.428 1.00 3.11 H new ATOM 0 HB3 ARG A 63 6.881 8.236 -7.542 1.00 3.11 H new ATOM 0 HG2 ARG A 63 8.409 6.988 -8.849 1.00 3.13 H new ATOM 0 HG3 ARG A 63 8.689 5.814 -7.578 1.00 3.13 H new ATOM 0 HD2 ARG A 63 7.231 4.970 -9.452 1.00 3.11 H new ATOM 0 HD3 ARG A 63 6.504 4.834 -7.863 1.00 3.11 H new ATOM 0 HE ARG A 63 5.799 7.309 -9.274 1.00 2.92 H new ATOM 0 HH11 ARG A 63 5.005 3.879 -8.849 1.00 3.60 H new ATOM 0 HH12 ARG A 63 3.303 4.108 -9.268 1.00 3.60 H new ATOM 0 HH21 ARG A 63 3.610 7.581 -9.787 1.00 3.44 H new ATOM 0 HH22 ARG A 63 2.520 6.190 -9.795 1.00 3.44 H new ATOM 1022 N GLU A 64 7.752 10.261 -5.566 1.00 2.76 N ATOM 1023 CA GLU A 64 7.824 11.715 -5.615 1.00 3.00 C ATOM 1024 C GLU A 64 9.009 12.230 -4.795 1.00 3.08 C ATOM 1025 O GLU A 64 10.126 12.343 -5.303 1.00 3.72 O ATOM 1026 CB GLU A 64 6.526 12.338 -5.100 1.00 2.97 C ATOM 1027 CG GLU A 64 5.284 11.859 -5.831 1.00 3.43 C ATOM 1028 CD GLU A 64 5.329 12.155 -7.315 1.00 3.74 C ATOM 1029 OE1 GLU A 64 5.342 13.346 -7.683 1.00 4.00 O ATOM 1030 OE2 GLU A 64 5.354 11.197 -8.116 1.00 4.07 O ATOM 0 H GLU A 64 7.026 9.897 -4.949 1.00 2.76 H new ATOM 0 HA GLU A 64 7.966 12.007 -6.656 1.00 3.00 H new ATOM 0 HB2 GLU A 64 6.421 12.112 -4.039 1.00 2.97 H new ATOM 0 HB3 GLU A 64 6.594 13.422 -5.190 1.00 2.97 H new ATOM 0 HG2 GLU A 64 5.171 10.785 -5.682 1.00 3.43 H new ATOM 0 HG3 GLU A 64 4.405 12.335 -5.396 1.00 3.43 H new ATOM 1037 N LYS A 65 8.751 12.540 -3.527 1.00 2.73 N ATOM 1038 CA LYS A 65 9.778 13.054 -2.625 1.00 2.95 C ATOM 1039 C LYS A 65 10.676 11.941 -2.091 1.00 2.86 C ATOM 1040 O LYS A 65 11.717 11.639 -2.682 1.00 3.37 O ATOM 1041 CB LYS A 65 9.124 13.788 -1.452 1.00 3.11 C ATOM 1042 CG LYS A 65 8.291 14.994 -1.858 1.00 3.54 C ATOM 1043 CD LYS A 65 7.423 15.478 -0.703 1.00 3.77 C ATOM 1044 CE LYS A 65 8.252 15.871 0.513 1.00 3.79 C ATOM 1045 NZ LYS A 65 8.991 17.146 0.304 1.00 4.11 N ATOM 0 H LYS A 65 7.831 12.443 -3.098 1.00 2.73 H new ATOM 0 HA LYS A 65 10.400 13.743 -3.196 1.00 2.95 H new ATOM 0 HB2 LYS A 65 8.489 13.088 -0.909 1.00 3.11 H new ATOM 0 HB3 LYS A 65 9.903 14.114 -0.762 1.00 3.11 H new ATOM 0 HG2 LYS A 65 8.948 15.800 -2.185 1.00 3.54 H new ATOM 0 HG3 LYS A 65 7.659 14.734 -2.707 1.00 3.54 H new ATOM 0 HD2 LYS A 65 6.831 16.333 -1.029 1.00 3.77 H new ATOM 0 HD3 LYS A 65 6.721 14.692 -0.424 1.00 3.77 H new ATOM 0 HE2 LYS A 65 7.598 15.970 1.379 1.00 3.79 H new ATOM 0 HE3 LYS A 65 8.962 15.075 0.739 1.00 3.79 H new ATOM 0 HZ1 LYS A 65 9.541 17.373 1.157 1.00 4.11 H new ATOM 0 HZ2 LYS A 65 9.635 17.045 -0.506 1.00 4.11 H new ATOM 0 HZ3 LYS A 65 8.314 17.913 0.114 1.00 4.11 H new ATOM 1059 N LYS A 66 10.241 11.321 -0.994 1.00 2.75 N ATOM 1060 CA LYS A 66 11.048 10.347 -0.258 1.00 2.95 C ATOM 1061 C LYS A 66 12.421 10.933 0.070 1.00 3.53 C ATOM 1062 O LYS A 66 13.415 10.540 -0.584 1.00 3.96 O ATOM 1063 CB LYS A 66 11.211 9.046 -1.046 1.00 2.95 C ATOM 1064 CG LYS A 66 11.704 7.885 -0.196 1.00 3.03 C ATOM 1065 CD LYS A 66 12.307 6.778 -1.048 1.00 3.31 C ATOM 1066 CE LYS A 66 13.783 7.032 -1.338 1.00 3.21 C ATOM 1067 NZ LYS A 66 14.015 8.326 -2.039 1.00 3.29 N ATOM 1068 OXT LYS A 66 12.496 11.805 0.961 1.00 4.01 O ATOM 0 H LYS A 66 9.318 11.480 -0.590 1.00 2.75 H new ATOM 0 HA LYS A 66 10.524 10.118 0.670 1.00 2.95 H new ATOM 0 HB2 LYS A 66 10.254 8.778 -1.494 1.00 2.95 H new ATOM 0 HB3 LYS A 66 11.911 9.211 -1.865 1.00 2.95 H new ATOM 0 HG2 LYS A 66 12.449 8.245 0.514 1.00 3.03 H new ATOM 0 HG3 LYS A 66 10.875 7.484 0.388 1.00 3.03 H new ATOM 0 HD2 LYS A 66 12.196 5.822 -0.536 1.00 3.31 H new ATOM 0 HD3 LYS A 66 11.759 6.702 -1.987 1.00 3.31 H new ATOM 0 HE2 LYS A 66 14.340 7.026 -0.401 1.00 3.21 H new ATOM 0 HE3 LYS A 66 14.175 6.218 -1.947 1.00 3.21 H new ATOM 0 HZ1 LYS A 66 14.998 8.366 -2.377 1.00 3.29 H new ATOM 0 HZ2 LYS A 66 13.367 8.403 -2.849 1.00 3.29 H new ATOM 0 HZ3 LYS A 66 13.842 9.113 -1.381 1.00 3.29 H new TER 1082 LYS A 66