USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.435 (180deg=-0.889) USER MOD Single : A 3 LYS NZ :NH3+ -167:sc= -0.0079 (180deg=-0.154) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= -0.0459 (180deg=-0.258) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -158:sc= -0.172 (180deg=-0.693) USER MOD Single : A 13 LYS NZ :NH3+ 163:sc= -0.0553 (180deg=-0.329) USER MOD Single : A 17 THR OG1 : rot 130:sc= -0.436 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+ -179:sc= -0.225 (180deg=-0.23) USER MOD Single : A 22 LYS NZ :NH3+ -161:sc= -0.1 (180deg=-0.52) USER MOD Single : A 28 LYS NZ :NH3+ -133:sc= -1.49! (180deg=-4.18!) USER MOD Single : A 29 MET CE :methyl 161:sc= -0.258 (180deg=-0.807) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.46 USER MOD Single : A 34 TYR OH : rot 34:sc= 0.0551 USER MOD Single : A 37 ASN : amide:sc= -1.66 K(o=-1.7,f=-0.46) 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 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -0.0738 (180deg=-0.47) USER MOD Single : A 52 LYS NZ :NH3+ 168:sc=-0.00814 (180deg=-0.173) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.699 -9.229 -8.316 1.00 4.12 N ATOM 2 CA MET A 1 -5.977 -9.939 -7.042 1.00 3.25 C ATOM 3 C MET A 1 -4.984 -9.524 -5.969 1.00 2.66 C ATOM 4 O MET A 1 -4.954 -10.096 -4.880 1.00 3.04 O ATOM 5 CB MET A 1 -5.905 -11.452 -7.257 1.00 3.39 C ATOM 6 CG MET A 1 -4.575 -11.928 -7.821 1.00 3.39 C ATOM 7 SD MET A 1 -3.279 -12.025 -6.572 1.00 4.40 S ATOM 8 CE MET A 1 -1.864 -12.435 -7.586 1.00 4.67 C ATOM 0 H1 MET A 1 -6.220 -9.688 -9.090 1.00 4.12 H new ATOM 0 H2 MET A 1 -6.002 -8.238 -8.234 1.00 4.12 H new ATOM 0 H3 MET A 1 -4.679 -9.264 -8.517 1.00 4.12 H new ATOM 0 HA MET A 1 -6.980 -9.670 -6.711 1.00 3.25 H new ATOM 0 HB2 MET A 1 -6.087 -11.954 -6.307 1.00 3.39 H new ATOM 0 HB3 MET A 1 -6.705 -11.752 -7.934 1.00 3.39 H new ATOM 0 HG2 MET A 1 -4.709 -12.910 -8.275 1.00 3.39 H new ATOM 0 HG3 MET A 1 -4.259 -11.250 -8.614 1.00 3.39 H new ATOM 0 HE1 MET A 1 -0.980 -12.530 -6.956 1.00 4.67 H new ATOM 0 HE2 MET A 1 -2.046 -13.379 -8.100 1.00 4.67 H new ATOM 0 HE3 MET A 1 -1.703 -11.647 -8.321 1.00 4.67 H new ATOM 20 N VAL A 2 -4.169 -8.531 -6.282 1.00 2.26 N ATOM 21 CA VAL A 2 -3.172 -8.051 -5.344 1.00 2.19 C ATOM 22 C VAL A 2 -3.734 -6.959 -4.442 1.00 1.63 C ATOM 23 O VAL A 2 -4.138 -5.894 -4.905 1.00 1.88 O ATOM 24 CB VAL A 2 -1.923 -7.527 -6.078 1.00 2.84 C ATOM 25 CG1 VAL A 2 -2.300 -6.475 -7.108 1.00 3.27 C ATOM 26 CG2 VAL A 2 -0.916 -6.976 -5.082 1.00 3.64 C ATOM 0 H VAL A 2 -4.179 -8.043 -7.178 1.00 2.26 H new ATOM 0 HA VAL A 2 -2.885 -8.900 -4.723 1.00 2.19 H new ATOM 0 HB VAL A 2 -1.461 -8.360 -6.607 1.00 2.84 H new ATOM 0 HG11 VAL A 2 -1.401 -6.121 -7.612 1.00 3.27 H new ATOM 0 HG12 VAL A 2 -2.980 -6.910 -7.841 1.00 3.27 H new ATOM 0 HG13 VAL A 2 -2.790 -5.638 -6.611 1.00 3.27 H new ATOM 0 HG21 VAL A 2 -0.039 -6.610 -5.616 1.00 3.64 H new ATOM 0 HG22 VAL A 2 -1.368 -6.157 -4.522 1.00 3.64 H new ATOM 0 HG23 VAL A 2 -0.617 -7.765 -4.392 1.00 3.64 H new ATOM 36 N LYS A 3 -3.765 -7.242 -3.146 1.00 1.32 N ATOM 37 CA LYS A 3 -4.264 -6.288 -2.166 1.00 1.00 C ATOM 38 C LYS A 3 -3.400 -6.313 -0.913 1.00 1.03 C ATOM 39 O LYS A 3 -2.495 -7.136 -0.789 1.00 1.56 O ATOM 40 CB LYS A 3 -5.718 -6.590 -1.806 1.00 1.17 C ATOM 41 CG LYS A 3 -6.683 -6.389 -2.962 1.00 1.44 C ATOM 42 CD LYS A 3 -8.058 -5.960 -2.472 1.00 1.73 C ATOM 43 CE LYS A 3 -8.762 -7.079 -1.723 1.00 2.34 C ATOM 44 NZ LYS A 3 -9.143 -8.197 -2.627 1.00 3.09 N ATOM 0 H LYS A 3 -3.449 -8.127 -2.749 1.00 1.32 H new ATOM 0 HA LYS A 3 -4.217 -5.293 -2.608 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -5.791 -7.620 -1.457 1.00 1.17 H new ATOM 0 HB3 LYS A 3 -6.019 -5.950 -0.976 1.00 1.17 H new ATOM 0 HG2 LYS A 3 -6.286 -5.635 -3.642 1.00 1.44 H new ATOM 0 HG3 LYS A 3 -6.771 -7.315 -3.530 1.00 1.44 H new ATOM 0 HD2 LYS A 3 -7.958 -5.092 -1.820 1.00 1.73 H new ATOM 0 HD3 LYS A 3 -8.667 -5.651 -3.322 1.00 1.73 H new ATOM 0 HE2 LYS A 3 -8.109 -7.455 -0.935 1.00 2.34 H new ATOM 0 HE3 LYS A 3 -9.654 -6.685 -1.237 1.00 2.34 H new ATOM 0 HZ1 LYS A 3 -9.805 -8.831 -2.135 1.00 3.09 H new ATOM 0 HZ2 LYS A 3 -9.599 -7.814 -3.480 1.00 3.09 H new ATOM 0 HZ3 LYS A 3 -8.292 -8.729 -2.899 1.00 3.09 H new ATOM 58 N VAL A 4 -3.690 -5.412 0.016 1.00 0.84 N ATOM 59 CA VAL A 4 -2.934 -5.324 1.258 1.00 0.90 C ATOM 60 C VAL A 4 -3.100 -6.582 2.103 1.00 0.82 C ATOM 61 O VAL A 4 -4.207 -6.914 2.532 1.00 0.85 O ATOM 62 CB VAL A 4 -3.364 -4.102 2.088 1.00 1.06 C ATOM 63 CG1 VAL A 4 -2.413 -3.885 3.253 1.00 1.46 C ATOM 64 CG2 VAL A 4 -3.438 -2.861 1.212 1.00 1.31 C ATOM 0 H VAL A 4 -4.445 -4.731 -0.067 1.00 0.84 H new ATOM 0 HA VAL A 4 -1.886 -5.218 0.979 1.00 0.90 H new ATOM 0 HB VAL A 4 -4.358 -4.293 2.493 1.00 1.06 H new ATOM 0 HG11 VAL A 4 -2.734 -3.016 3.828 1.00 1.46 H new ATOM 0 HG12 VAL A 4 -2.417 -4.766 3.895 1.00 1.46 H new ATOM 0 HG13 VAL A 4 -1.405 -3.717 2.873 1.00 1.46 H new ATOM 0 HG21 VAL A 4 -3.744 -2.007 1.816 1.00 1.31 H new ATOM 0 HG22 VAL A 4 -2.459 -2.665 0.775 1.00 1.31 H new ATOM 0 HG23 VAL A 4 -4.165 -3.021 0.416 1.00 1.31 H new ATOM 74 N LYS A 5 -1.993 -7.278 2.336 1.00 0.79 N ATOM 75 CA LYS A 5 -2.009 -8.495 3.136 1.00 0.77 C ATOM 76 C LYS A 5 -1.141 -8.322 4.378 1.00 0.78 C ATOM 77 O LYS A 5 -0.352 -9.199 4.734 1.00 1.45 O ATOM 78 CB LYS A 5 -1.521 -9.681 2.307 1.00 0.93 C ATOM 79 CG LYS A 5 -2.385 -10.918 2.463 1.00 1.38 C ATOM 80 CD LYS A 5 -1.998 -11.994 1.465 1.00 1.91 C ATOM 81 CE LYS A 5 -2.977 -13.154 1.498 1.00 2.43 C ATOM 82 NZ LYS A 5 -2.628 -14.200 0.500 1.00 2.70 N ATOM 0 H LYS A 5 -1.072 -7.019 1.981 1.00 0.79 H new ATOM 0 HA LYS A 5 -3.033 -8.691 3.452 1.00 0.77 H new ATOM 0 HB2 LYS A 5 -1.495 -9.394 1.256 1.00 0.93 H new ATOM 0 HB3 LYS A 5 -0.498 -9.922 2.597 1.00 0.93 H new ATOM 0 HG2 LYS A 5 -2.286 -11.307 3.476 1.00 1.38 H new ATOM 0 HG3 LYS A 5 -3.433 -10.651 2.325 1.00 1.38 H new ATOM 0 HD2 LYS A 5 -1.968 -11.569 0.462 1.00 1.91 H new ATOM 0 HD3 LYS A 5 -0.994 -12.356 1.688 1.00 1.91 H new ATOM 0 HE2 LYS A 5 -2.987 -13.593 2.496 1.00 2.43 H new ATOM 0 HE3 LYS A 5 -3.984 -12.786 1.301 1.00 2.43 H new ATOM 0 HZ1 LYS A 5 -3.319 -14.975 0.553 1.00 2.70 H new ATOM 0 HZ2 LYS A 5 -2.643 -13.788 -0.455 1.00 2.70 H new ATOM 0 HZ3 LYS A 5 -1.677 -14.570 0.703 1.00 2.70 H new ATOM 96 N PHE A 6 -1.300 -7.176 5.030 1.00 0.58 N ATOM 97 CA PHE A 6 -0.544 -6.846 6.234 1.00 0.57 C ATOM 98 C PHE A 6 -0.775 -7.871 7.342 1.00 0.58 C ATOM 99 O PHE A 6 -1.579 -8.792 7.197 1.00 0.85 O ATOM 100 CB PHE A 6 -0.947 -5.458 6.733 1.00 0.59 C ATOM 101 CG PHE A 6 -2.363 -5.390 7.239 1.00 0.58 C ATOM 102 CD1 PHE A 6 -3.433 -5.498 6.364 1.00 0.60 C ATOM 103 CD2 PHE A 6 -2.622 -5.219 8.589 1.00 0.65 C ATOM 104 CE1 PHE A 6 -4.733 -5.437 6.828 1.00 0.65 C ATOM 105 CE2 PHE A 6 -3.920 -5.157 9.057 1.00 0.70 C ATOM 106 CZ PHE A 6 -4.977 -5.266 8.176 1.00 0.67 C ATOM 0 H PHE A 6 -1.955 -6.450 4.740 1.00 0.58 H new ATOM 0 HA PHE A 6 0.515 -6.858 5.976 1.00 0.57 H new ATOM 0 HB2 PHE A 6 -0.269 -5.157 7.532 1.00 0.59 H new ATOM 0 HB3 PHE A 6 -0.824 -4.739 5.923 1.00 0.59 H new ATOM 0 HD1 PHE A 6 -3.248 -5.631 5.308 1.00 0.60 H new ATOM 0 HD2 PHE A 6 -1.799 -5.133 9.284 1.00 0.65 H new ATOM 0 HE1 PHE A 6 -5.558 -5.523 6.136 1.00 0.65 H new ATOM 0 HE2 PHE A 6 -4.108 -5.023 10.112 1.00 0.70 H new ATOM 0 HZ PHE A 6 -5.993 -5.218 8.540 1.00 0.67 H new ATOM 116 N LYS A 7 -0.061 -7.695 8.451 1.00 0.53 N ATOM 117 CA LYS A 7 -0.187 -8.589 9.596 1.00 0.57 C ATOM 118 C LYS A 7 -0.796 -7.859 10.785 1.00 0.59 C ATOM 119 O LYS A 7 -0.188 -6.942 11.340 1.00 0.63 O ATOM 120 CB LYS A 7 1.176 -9.154 9.996 1.00 0.70 C ATOM 121 CG LYS A 7 1.835 -9.996 8.917 1.00 1.34 C ATOM 122 CD LYS A 7 3.029 -10.766 9.463 1.00 1.71 C ATOM 123 CE LYS A 7 4.122 -9.835 9.963 1.00 2.66 C ATOM 124 NZ LYS A 7 4.627 -8.943 8.884 1.00 3.64 N ATOM 0 H LYS A 7 0.612 -6.939 8.580 1.00 0.53 H new ATOM 0 HA LYS A 7 -0.843 -9.409 9.304 1.00 0.57 H new ATOM 0 HB2 LYS A 7 1.839 -8.328 10.254 1.00 0.70 H new ATOM 0 HB3 LYS A 7 1.058 -9.760 10.894 1.00 0.70 H new ATOM 0 HG2 LYS A 7 1.108 -10.695 8.504 1.00 1.34 H new ATOM 0 HG3 LYS A 7 2.159 -9.353 8.099 1.00 1.34 H new ATOM 0 HD2 LYS A 7 2.702 -11.413 10.277 1.00 1.71 H new ATOM 0 HD3 LYS A 7 3.431 -11.413 8.683 1.00 1.71 H new ATOM 0 HE2 LYS A 7 3.736 -9.230 10.784 1.00 2.66 H new ATOM 0 HE3 LYS A 7 4.947 -10.425 10.362 1.00 2.66 H new ATOM 0 HZ1 LYS A 7 5.507 -8.485 9.196 1.00 3.64 H new ATOM 0 HZ2 LYS A 7 4.813 -9.504 8.028 1.00 3.64 H new ATOM 0 HZ3 LYS A 7 3.914 -8.216 8.673 1.00 3.64 H new ATOM 138 N TYR A 8 -1.998 -8.267 11.167 1.00 0.61 N ATOM 139 CA TYR A 8 -2.685 -7.658 12.297 1.00 0.67 C ATOM 140 C TYR A 8 -2.654 -8.594 13.503 1.00 0.85 C ATOM 141 O TYR A 8 -2.888 -9.795 13.367 1.00 0.86 O ATOM 142 CB TYR A 8 -4.131 -7.325 11.919 1.00 0.63 C ATOM 143 CG TYR A 8 -4.813 -6.380 12.883 1.00 0.71 C ATOM 144 CD1 TYR A 8 -4.299 -5.112 13.126 1.00 0.88 C ATOM 145 CD2 TYR A 8 -5.970 -6.757 13.551 1.00 0.82 C ATOM 146 CE1 TYR A 8 -4.920 -4.247 14.006 1.00 1.03 C ATOM 147 CE2 TYR A 8 -6.598 -5.897 14.432 1.00 0.97 C ATOM 148 CZ TYR A 8 -6.069 -4.644 14.657 1.00 1.03 C ATOM 149 OH TYR A 8 -6.689 -3.785 15.534 1.00 1.23 O ATOM 0 H TYR A 8 -2.518 -9.017 10.711 1.00 0.61 H new ATOM 0 HA TYR A 8 -2.171 -6.734 12.562 1.00 0.67 H new ATOM 0 HB2 TYR A 8 -4.143 -6.884 10.922 1.00 0.63 H new ATOM 0 HB3 TYR A 8 -4.705 -8.250 11.865 1.00 0.63 H new ATOM 0 HD1 TYR A 8 -3.399 -4.798 12.618 1.00 0.88 H new ATOM 0 HD2 TYR A 8 -6.386 -7.739 13.379 1.00 0.82 H new ATOM 0 HE1 TYR A 8 -4.508 -3.265 14.183 1.00 1.03 H new ATOM 0 HE2 TYR A 8 -7.499 -6.205 14.942 1.00 0.97 H new ATOM 0 HH TYR A 8 -7.486 -4.217 15.907 1.00 1.23 H new ATOM 159 N LYS A 9 -2.366 -8.026 14.675 1.00 1.11 N ATOM 160 CA LYS A 9 -2.287 -8.783 15.931 1.00 1.36 C ATOM 161 C LYS A 9 -1.618 -10.146 15.739 1.00 1.30 C ATOM 162 O LYS A 9 -2.070 -11.153 16.285 1.00 1.73 O ATOM 163 CB LYS A 9 -3.673 -8.948 16.571 1.00 1.70 C ATOM 164 CG LYS A 9 -4.755 -9.426 15.618 1.00 1.73 C ATOM 165 CD LYS A 9 -6.124 -9.403 16.276 1.00 2.19 C ATOM 166 CE LYS A 9 -6.301 -10.569 17.234 1.00 2.65 C ATOM 167 NZ LYS A 9 -6.192 -11.878 16.535 1.00 2.90 N ATOM 0 H LYS A 9 -2.181 -7.029 14.783 1.00 1.11 H new ATOM 0 HA LYS A 9 -1.662 -8.202 16.610 1.00 1.36 H new ATOM 0 HB2 LYS A 9 -3.596 -9.655 17.397 1.00 1.70 H new ATOM 0 HB3 LYS A 9 -3.978 -7.992 16.997 1.00 1.70 H new ATOM 0 HG2 LYS A 9 -4.766 -8.793 14.731 1.00 1.73 H new ATOM 0 HG3 LYS A 9 -4.527 -10.438 15.285 1.00 1.73 H new ATOM 0 HD2 LYS A 9 -6.254 -8.465 16.815 1.00 2.19 H new ATOM 0 HD3 LYS A 9 -6.898 -9.440 15.509 1.00 2.19 H new ATOM 0 HE2 LYS A 9 -5.547 -10.512 18.019 1.00 2.65 H new ATOM 0 HE3 LYS A 9 -7.274 -10.496 17.720 1.00 2.65 H new ATOM 0 HZ1 LYS A 9 -6.669 -12.612 17.096 1.00 2.90 H new ATOM 0 HZ2 LYS A 9 -6.642 -11.811 15.600 1.00 2.90 H new ATOM 0 HZ3 LYS A 9 -5.189 -12.128 16.420 1.00 2.90 H new ATOM 181 N GLY A 10 -0.537 -10.164 14.963 1.00 1.10 N ATOM 182 CA GLY A 10 0.194 -11.398 14.725 1.00 1.12 C ATOM 183 C GLY A 10 -0.582 -12.408 13.902 1.00 0.98 C ATOM 184 O GLY A 10 -0.667 -13.580 14.271 1.00 1.11 O ATOM 0 H GLY A 10 -0.153 -9.344 14.494 1.00 1.10 H new ATOM 0 HA2 GLY A 10 1.128 -11.165 14.214 1.00 1.12 H new ATOM 0 HA3 GLY A 10 0.457 -11.846 15.683 1.00 1.12 H new ATOM 188 N GLU A 11 -1.138 -11.959 12.782 1.00 0.95 N ATOM 189 CA GLU A 11 -1.902 -12.839 11.905 1.00 1.20 C ATOM 190 C GLU A 11 -2.240 -12.135 10.599 1.00 1.00 C ATOM 191 O GLU A 11 -2.529 -10.939 10.584 1.00 1.38 O ATOM 192 CB GLU A 11 -3.186 -13.296 12.593 1.00 1.69 C ATOM 193 CG GLU A 11 -3.994 -14.282 11.768 1.00 2.37 C ATOM 194 CD GLU A 11 -5.189 -14.823 12.522 1.00 3.21 C ATOM 195 OE1 GLU A 11 -5.986 -14.011 13.030 1.00 3.81 O ATOM 196 OE2 GLU A 11 -5.329 -16.061 12.600 1.00 3.60 O ATOM 0 H GLU A 11 -1.074 -10.993 12.460 1.00 0.95 H new ATOM 0 HA GLU A 11 -1.288 -13.712 11.684 1.00 1.20 H new ATOM 0 HB2 GLU A 11 -2.934 -13.755 13.549 1.00 1.69 H new ATOM 0 HB3 GLU A 11 -3.803 -12.424 12.811 1.00 1.69 H new ATOM 0 HG2 GLU A 11 -4.335 -13.794 10.855 1.00 2.37 H new ATOM 0 HG3 GLU A 11 -3.353 -15.110 11.466 1.00 2.37 H new ATOM 203 N GLU A 12 -2.201 -12.885 9.503 1.00 0.98 N ATOM 204 CA GLU A 12 -2.502 -12.332 8.191 1.00 0.87 C ATOM 205 C GLU A 12 -3.925 -11.794 8.137 1.00 0.79 C ATOM 206 O GLU A 12 -4.871 -12.467 8.548 1.00 0.89 O ATOM 207 CB GLU A 12 -2.310 -13.390 7.107 1.00 1.13 C ATOM 208 CG GLU A 12 -0.876 -13.866 6.963 1.00 1.80 C ATOM 209 CD GLU A 12 -0.684 -14.761 5.757 1.00 2.11 C ATOM 210 OE1 GLU A 12 -1.211 -15.893 5.768 1.00 2.30 O ATOM 211 OE2 GLU A 12 -0.011 -14.328 4.799 1.00 2.43 O ATOM 0 H GLU A 12 -1.964 -13.877 9.499 1.00 0.98 H new ATOM 0 HA GLU A 12 -1.812 -11.507 8.012 1.00 0.87 H new ATOM 0 HB2 GLU A 12 -2.946 -14.246 7.331 1.00 1.13 H new ATOM 0 HB3 GLU A 12 -2.646 -12.984 6.153 1.00 1.13 H new ATOM 0 HG2 GLU A 12 -0.216 -13.003 6.880 1.00 1.80 H new ATOM 0 HG3 GLU A 12 -0.583 -14.406 7.863 1.00 1.80 H new ATOM 218 N LYS A 13 -4.065 -10.578 7.625 1.00 0.71 N ATOM 219 CA LYS A 13 -5.368 -9.943 7.504 1.00 0.75 C ATOM 220 C LYS A 13 -5.442 -9.129 6.218 1.00 0.73 C ATOM 221 O LYS A 13 -4.513 -8.394 5.885 1.00 1.21 O ATOM 222 CB LYS A 13 -5.638 -9.048 8.713 1.00 0.96 C ATOM 223 CG LYS A 13 -7.060 -8.517 8.770 1.00 0.86 C ATOM 224 CD LYS A 13 -7.303 -7.718 10.039 1.00 1.44 C ATOM 225 CE LYS A 13 -8.749 -7.261 10.140 1.00 2.02 C ATOM 226 NZ LYS A 13 -9.692 -8.410 10.192 1.00 2.73 N ATOM 0 H LYS A 13 -3.288 -10.011 7.286 1.00 0.71 H new ATOM 0 HA LYS A 13 -6.131 -10.721 7.469 1.00 0.75 H new ATOM 0 HB2 LYS A 13 -5.432 -9.610 9.624 1.00 0.96 H new ATOM 0 HB3 LYS A 13 -4.945 -8.207 8.694 1.00 0.96 H new ATOM 0 HG2 LYS A 13 -7.250 -7.888 7.900 1.00 0.86 H new ATOM 0 HG3 LYS A 13 -7.763 -9.349 8.722 1.00 0.86 H new ATOM 0 HD2 LYS A 13 -7.051 -8.327 10.907 1.00 1.44 H new ATOM 0 HD3 LYS A 13 -6.644 -6.850 10.056 1.00 1.44 H new ATOM 0 HE2 LYS A 13 -8.874 -6.648 11.032 1.00 2.02 H new ATOM 0 HE3 LYS A 13 -8.991 -6.631 9.284 1.00 2.02 H new ATOM 0 HZ1 LYS A 13 -10.615 -8.086 10.544 1.00 2.73 H new ATOM 0 HZ2 LYS A 13 -9.806 -8.809 9.238 1.00 2.73 H new ATOM 0 HZ3 LYS A 13 -9.315 -9.140 10.830 1.00 2.73 H new ATOM 240 N GLU A 14 -6.548 -9.266 5.496 1.00 0.55 N ATOM 241 CA GLU A 14 -6.734 -8.548 4.241 1.00 0.54 C ATOM 242 C GLU A 14 -7.753 -7.426 4.395 1.00 0.65 C ATOM 243 O GLU A 14 -8.760 -7.579 5.086 1.00 0.88 O ATOM 244 CB GLU A 14 -7.189 -9.511 3.147 1.00 0.60 C ATOM 245 CG GLU A 14 -6.274 -10.710 2.976 1.00 1.38 C ATOM 246 CD GLU A 14 -6.793 -11.693 1.948 1.00 1.90 C ATOM 247 OE1 GLU A 14 -7.716 -12.465 2.279 1.00 2.39 O ATOM 248 OE2 GLU A 14 -6.278 -11.688 0.811 1.00 2.38 O ATOM 0 H GLU A 14 -7.329 -9.867 5.758 1.00 0.55 H new ATOM 0 HA GLU A 14 -5.777 -8.107 3.961 1.00 0.54 H new ATOM 0 HB2 GLU A 14 -8.195 -9.862 3.378 1.00 0.60 H new ATOM 0 HB3 GLU A 14 -7.249 -8.972 2.201 1.00 0.60 H new ATOM 0 HG2 GLU A 14 -5.283 -10.367 2.678 1.00 1.38 H new ATOM 0 HG3 GLU A 14 -6.162 -11.217 3.934 1.00 1.38 H new ATOM 255 N VAL A 15 -7.485 -6.302 3.742 1.00 0.68 N ATOM 256 CA VAL A 15 -8.378 -5.152 3.795 1.00 0.82 C ATOM 257 C VAL A 15 -8.449 -4.456 2.440 1.00 0.72 C ATOM 258 O VAL A 15 -7.429 -4.257 1.778 1.00 1.19 O ATOM 259 CB VAL A 15 -7.927 -4.137 4.867 1.00 1.20 C ATOM 260 CG1 VAL A 15 -6.549 -3.582 4.539 1.00 1.53 C ATOM 261 CG2 VAL A 15 -8.942 -3.012 5.002 1.00 2.11 C ATOM 0 H VAL A 15 -6.654 -6.163 3.168 1.00 0.68 H new ATOM 0 HA VAL A 15 -9.367 -5.526 4.060 1.00 0.82 H new ATOM 0 HB VAL A 15 -7.865 -4.657 5.823 1.00 1.20 H new ATOM 0 HG11 VAL A 15 -6.252 -2.869 5.308 1.00 1.53 H new ATOM 0 HG12 VAL A 15 -5.827 -4.398 4.502 1.00 1.53 H new ATOM 0 HG13 VAL A 15 -6.579 -3.081 3.572 1.00 1.53 H new ATOM 0 HG21 VAL A 15 -8.605 -2.308 5.763 1.00 2.11 H new ATOM 0 HG22 VAL A 15 -9.042 -2.495 4.047 1.00 2.11 H new ATOM 0 HG23 VAL A 15 -9.907 -3.426 5.293 1.00 2.11 H new ATOM 271 N ASP A 16 -9.659 -4.098 2.025 1.00 0.76 N ATOM 272 CA ASP A 16 -9.855 -3.419 0.751 1.00 0.98 C ATOM 273 C ASP A 16 -9.174 -2.058 0.757 1.00 0.91 C ATOM 274 O ASP A 16 -9.185 -1.350 1.763 1.00 1.57 O ATOM 275 CB ASP A 16 -11.345 -3.253 0.456 1.00 1.33 C ATOM 276 CG ASP A 16 -11.933 -4.459 -0.246 1.00 1.87 C ATOM 277 OD1 ASP A 16 -12.361 -5.402 0.452 1.00 2.08 O ATOM 278 OD2 ASP A 16 -11.964 -4.461 -1.494 1.00 2.64 O ATOM 0 H ASP A 16 -10.516 -4.266 2.551 1.00 0.76 H new ATOM 0 HA ASP A 16 -9.406 -4.032 -0.031 1.00 0.98 H new ATOM 0 HB2 ASP A 16 -11.881 -3.083 1.390 1.00 1.33 H new ATOM 0 HB3 ASP A 16 -11.494 -2.368 -0.162 1.00 1.33 H new ATOM 283 N THR A 17 -8.582 -1.702 -0.377 1.00 0.98 N ATOM 284 CA THR A 17 -7.887 -0.430 -0.515 1.00 0.92 C ATOM 285 C THR A 17 -8.846 0.744 -0.349 1.00 0.85 C ATOM 286 O THR A 17 -8.429 1.856 -0.025 1.00 1.17 O ATOM 287 CB THR A 17 -7.198 -0.325 -1.886 1.00 1.36 C ATOM 288 OG1 THR A 17 -6.570 -1.570 -2.210 1.00 1.66 O ATOM 289 CG2 THR A 17 -6.157 0.785 -1.887 1.00 1.86 C ATOM 0 H THR A 17 -8.570 -2.280 -1.217 1.00 0.98 H new ATOM 0 HA THR A 17 -7.134 -0.389 0.272 1.00 0.92 H new ATOM 0 HB THR A 17 -7.956 -0.091 -2.633 1.00 1.36 H new ATOM 0 HG1 THR A 17 -6.834 -1.844 -3.113 1.00 1.66 H new ATOM 0 HG21 THR A 17 -5.684 0.839 -2.867 1.00 1.86 H new ATOM 0 HG22 THR A 17 -6.640 1.737 -1.664 1.00 1.86 H new ATOM 0 HG23 THR A 17 -5.401 0.575 -1.130 1.00 1.86 H new ATOM 297 N SER A 18 -10.132 0.489 -0.576 1.00 0.73 N ATOM 298 CA SER A 18 -11.148 1.528 -0.449 1.00 0.86 C ATOM 299 C SER A 18 -11.259 2.008 0.993 1.00 0.82 C ATOM 300 O SER A 18 -11.704 3.127 1.253 1.00 1.13 O ATOM 301 CB SER A 18 -12.504 1.011 -0.938 1.00 1.16 C ATOM 302 OG SER A 18 -12.903 -0.141 -0.216 1.00 1.81 O ATOM 0 H SER A 18 -10.494 -0.425 -0.848 1.00 0.73 H new ATOM 0 HA SER A 18 -10.847 2.372 -1.069 1.00 0.86 H new ATOM 0 HB2 SER A 18 -13.256 1.792 -0.826 1.00 1.16 H new ATOM 0 HB3 SER A 18 -12.445 0.775 -2.001 1.00 1.16 H new ATOM 0 HG SER A 18 -13.772 -0.450 -0.547 1.00 1.81 H new ATOM 308 N LYS A 19 -10.852 1.155 1.928 1.00 0.68 N ATOM 309 CA LYS A 19 -10.895 1.495 3.346 1.00 0.75 C ATOM 310 C LYS A 19 -9.513 1.889 3.853 1.00 0.68 C ATOM 311 O LYS A 19 -9.057 1.407 4.889 1.00 1.06 O ATOM 312 CB LYS A 19 -11.440 0.323 4.162 1.00 0.99 C ATOM 313 CG LYS A 19 -12.942 0.141 4.030 1.00 1.25 C ATOM 314 CD LYS A 19 -13.435 -1.015 4.881 1.00 1.92 C ATOM 315 CE LYS A 19 -14.950 -1.110 4.866 1.00 2.22 C ATOM 316 NZ LYS A 19 -15.442 -2.210 5.738 1.00 3.07 N ATOM 0 H LYS A 19 -10.489 0.223 1.729 1.00 0.68 H new ATOM 0 HA LYS A 19 -11.562 2.348 3.467 1.00 0.75 H new ATOM 0 HB2 LYS A 19 -10.942 -0.593 3.845 1.00 0.99 H new ATOM 0 HB3 LYS A 19 -11.191 0.475 5.212 1.00 0.99 H new ATOM 0 HG2 LYS A 19 -13.449 1.058 4.330 1.00 1.25 H new ATOM 0 HG3 LYS A 19 -13.198 -0.038 2.986 1.00 1.25 H new ATOM 0 HD2 LYS A 19 -13.007 -1.948 4.513 1.00 1.92 H new ATOM 0 HD3 LYS A 19 -13.087 -0.888 5.906 1.00 1.92 H new ATOM 0 HE2 LYS A 19 -15.377 -0.164 5.198 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -15.294 -1.274 3.845 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -16.481 -2.244 5.702 1.00 3.07 H new ATOM 0 HZ2 LYS A 19 -15.055 -3.116 5.406 1.00 3.07 H new ATOM 0 HZ3 LYS A 19 -15.135 -2.041 6.717 1.00 3.07 H new ATOM 330 N ILE A 20 -8.849 2.764 3.108 1.00 0.74 N ATOM 331 CA ILE A 20 -7.524 3.241 3.479 1.00 0.71 C ATOM 332 C ILE A 20 -7.554 4.743 3.744 1.00 0.78 C ATOM 333 O ILE A 20 -7.970 5.524 2.889 1.00 1.22 O ATOM 334 CB ILE A 20 -6.485 2.926 2.376 1.00 1.02 C ATOM 335 CG1 ILE A 20 -6.179 1.424 2.345 1.00 1.33 C ATOM 336 CG2 ILE A 20 -5.205 3.729 2.582 1.00 1.79 C ATOM 337 CD1 ILE A 20 -5.514 0.906 3.606 1.00 1.72 C ATOM 0 H ILE A 20 -9.209 3.159 2.239 1.00 0.74 H new ATOM 0 HA ILE A 20 -7.228 2.721 4.390 1.00 0.71 H new ATOM 0 HB ILE A 20 -6.912 3.216 1.416 1.00 1.02 H new ATOM 0 HG12 ILE A 20 -7.108 0.877 2.185 1.00 1.33 H new ATOM 0 HG13 ILE A 20 -5.534 1.212 1.492 1.00 1.33 H new ATOM 0 HG21 ILE A 20 -4.493 3.488 1.793 1.00 1.79 H new ATOM 0 HG22 ILE A 20 -5.435 4.794 2.550 1.00 1.79 H new ATOM 0 HG23 ILE A 20 -4.771 3.480 3.550 1.00 1.79 H new ATOM 0 HD11 ILE A 20 -5.330 -0.164 3.507 1.00 1.72 H new ATOM 0 HD12 ILE A 20 -4.567 1.425 3.757 1.00 1.72 H new ATOM 0 HD13 ILE A 20 -6.166 1.084 4.461 1.00 1.72 H new ATOM 349 N LYS A 21 -7.115 5.139 4.936 1.00 0.62 N ATOM 350 CA LYS A 21 -7.100 6.548 5.313 1.00 0.88 C ATOM 351 C LYS A 21 -5.752 7.191 5.007 1.00 0.78 C ATOM 352 O LYS A 21 -5.660 8.093 4.176 1.00 1.17 O ATOM 353 CB LYS A 21 -7.410 6.710 6.801 1.00 1.13 C ATOM 354 CG LYS A 21 -8.806 6.259 7.195 1.00 1.52 C ATOM 355 CD LYS A 21 -9.099 6.596 8.648 1.00 1.92 C ATOM 356 CE LYS A 21 -10.440 6.040 9.094 1.00 2.23 C ATOM 357 NZ LYS A 21 -11.549 6.483 8.205 1.00 2.46 N ATOM 0 H LYS A 21 -6.766 4.505 5.655 1.00 0.62 H new ATOM 0 HA LYS A 21 -7.868 7.050 4.724 1.00 0.88 H new ATOM 0 HB2 LYS A 21 -6.680 6.142 7.377 1.00 1.13 H new ATOM 0 HB3 LYS A 21 -7.287 7.758 7.075 1.00 1.13 H new ATOM 0 HG2 LYS A 21 -9.542 6.740 6.551 1.00 1.52 H new ATOM 0 HG3 LYS A 21 -8.902 5.184 7.041 1.00 1.52 H new ATOM 0 HD2 LYS A 21 -8.309 6.193 9.282 1.00 1.92 H new ATOM 0 HD3 LYS A 21 -9.092 7.678 8.779 1.00 1.92 H new ATOM 0 HE2 LYS A 21 -10.396 4.951 9.104 1.00 2.23 H new ATOM 0 HE3 LYS A 21 -10.644 6.360 10.116 1.00 2.23 H new ATOM 0 HZ1 LYS A 21 -12.449 6.096 8.554 1.00 2.46 H new ATOM 0 HZ2 LYS A 21 -11.597 7.522 8.201 1.00 2.46 H new ATOM 0 HZ3 LYS A 21 -11.376 6.141 7.238 1.00 2.46 H new ATOM 371 N LYS A 22 -4.712 6.720 5.687 1.00 0.67 N ATOM 372 CA LYS A 22 -3.370 7.264 5.501 1.00 0.70 C ATOM 373 C LYS A 22 -2.333 6.163 5.326 1.00 0.51 C ATOM 374 O LYS A 22 -2.326 5.180 6.062 1.00 0.50 O ATOM 375 CB LYS A 22 -2.986 8.131 6.701 1.00 1.07 C ATOM 376 CG LYS A 22 -3.741 9.447 6.767 1.00 1.44 C ATOM 377 CD LYS A 22 -3.277 10.412 5.688 1.00 2.03 C ATOM 378 CE LYS A 22 -1.857 10.895 5.943 1.00 2.77 C ATOM 379 NZ LYS A 22 -1.721 11.545 7.275 1.00 3.08 N ATOM 0 H LYS A 22 -4.771 5.965 6.370 1.00 0.67 H new ATOM 0 HA LYS A 22 -3.385 7.867 4.593 1.00 0.70 H new ATOM 0 HB2 LYS A 22 -3.170 7.570 7.617 1.00 1.07 H new ATOM 0 HB3 LYS A 22 -1.916 8.337 6.662 1.00 1.07 H new ATOM 0 HG2 LYS A 22 -4.809 9.261 6.655 1.00 1.44 H new ATOM 0 HG3 LYS A 22 -3.598 9.901 7.748 1.00 1.44 H new ATOM 0 HD2 LYS A 22 -3.326 9.923 4.715 1.00 2.03 H new ATOM 0 HD3 LYS A 22 -3.952 11.267 5.649 1.00 2.03 H new ATOM 0 HE2 LYS A 22 -1.170 10.051 5.879 1.00 2.77 H new ATOM 0 HE3 LYS A 22 -1.568 11.601 5.164 1.00 2.77 H new ATOM 0 HZ1 LYS A 22 -0.863 12.133 7.288 1.00 3.08 H new ATOM 0 HZ2 LYS A 22 -2.553 12.142 7.456 1.00 3.08 H new ATOM 0 HZ3 LYS A 22 -1.652 10.815 8.012 1.00 3.08 H new ATOM 393 N VAL A 23 -1.456 6.341 4.347 1.00 0.49 N ATOM 394 CA VAL A 23 -0.395 5.380 4.088 1.00 0.49 C ATOM 395 C VAL A 23 0.968 6.021 4.352 1.00 0.51 C ATOM 396 O VAL A 23 1.634 6.514 3.441 1.00 0.63 O ATOM 397 CB VAL A 23 -0.471 4.823 2.648 1.00 0.64 C ATOM 398 CG1 VAL A 23 -0.496 5.947 1.620 1.00 1.56 C ATOM 399 CG2 VAL A 23 0.681 3.867 2.380 1.00 1.29 C ATOM 0 H VAL A 23 -1.460 7.144 3.718 1.00 0.49 H new ATOM 0 HA VAL A 23 -0.527 4.538 4.768 1.00 0.49 H new ATOM 0 HB VAL A 23 -1.405 4.268 2.553 1.00 0.64 H new ATOM 0 HG11 VAL A 23 -0.550 5.522 0.618 1.00 1.56 H new ATOM 0 HG12 VAL A 23 -1.367 6.579 1.793 1.00 1.56 H new ATOM 0 HG13 VAL A 23 0.411 6.545 1.713 1.00 1.56 H new ATOM 0 HG21 VAL A 23 0.609 3.487 1.361 1.00 1.29 H new ATOM 0 HG22 VAL A 23 1.627 4.394 2.504 1.00 1.29 H new ATOM 0 HG23 VAL A 23 0.634 3.035 3.082 1.00 1.29 H new ATOM 409 N ALA A 24 1.367 6.022 5.620 1.00 0.45 N ATOM 410 CA ALA A 24 2.633 6.617 6.026 1.00 0.51 C ATOM 411 C ALA A 24 3.789 5.634 5.896 1.00 0.46 C ATOM 412 O ALA A 24 3.598 4.473 5.535 1.00 0.44 O ATOM 413 CB ALA A 24 2.537 7.133 7.454 1.00 0.65 C ATOM 0 H ALA A 24 0.829 5.616 6.385 1.00 0.45 H new ATOM 0 HA ALA A 24 2.835 7.452 5.355 1.00 0.51 H new ATOM 0 HB1 ALA A 24 3.489 7.575 7.746 1.00 0.65 H new ATOM 0 HB2 ALA A 24 1.752 7.887 7.516 1.00 0.65 H new ATOM 0 HB3 ALA A 24 2.300 6.307 8.124 1.00 0.65 H new ATOM 419 N ARG A 25 4.987 6.115 6.202 1.00 0.60 N ATOM 420 CA ARG A 25 6.193 5.303 6.118 1.00 0.65 C ATOM 421 C ARG A 25 7.154 5.660 7.247 1.00 0.67 C ATOM 422 O ARG A 25 7.532 6.821 7.405 1.00 0.76 O ATOM 423 CB ARG A 25 6.858 5.527 4.760 1.00 0.86 C ATOM 424 CG ARG A 25 8.082 4.666 4.514 1.00 1.27 C ATOM 425 CD ARG A 25 8.623 4.887 3.113 1.00 1.80 C ATOM 426 NE ARG A 25 9.817 4.097 2.850 1.00 2.24 N ATOM 427 CZ ARG A 25 10.588 4.269 1.784 1.00 2.94 C ATOM 428 NH1 ARG A 25 10.294 5.208 0.894 1.00 3.40 N ATOM 429 NH2 ARG A 25 11.659 3.510 1.608 1.00 3.61 N ATOM 0 H ARG A 25 5.149 7.073 6.513 1.00 0.60 H new ATOM 0 HA ARG A 25 5.927 4.251 6.219 1.00 0.65 H new ATOM 0 HB2 ARG A 25 6.128 5.332 3.975 1.00 0.86 H new ATOM 0 HB3 ARG A 25 7.143 6.576 4.677 1.00 0.86 H new ATOM 0 HG2 ARG A 25 8.852 4.903 5.248 1.00 1.27 H new ATOM 0 HG3 ARG A 25 7.826 3.615 4.648 1.00 1.27 H new ATOM 0 HD2 ARG A 25 7.854 4.632 2.384 1.00 1.80 H new ATOM 0 HD3 ARG A 25 8.852 5.944 2.977 1.00 1.80 H new ATOM 0 HE ARG A 25 10.075 3.373 3.521 1.00 2.24 H new ATOM 0 HH11 ARG A 25 9.474 5.799 1.029 1.00 3.40 H new ATOM 0 HH12 ARG A 25 10.888 5.339 0.075 1.00 3.40 H new ATOM 0 HH21 ARG A 25 11.893 2.791 2.293 1.00 3.61 H new ATOM 0 HH22 ARG A 25 12.250 3.644 0.788 1.00 3.61 H new ATOM 443 N VAL A 26 7.544 4.660 8.032 1.00 0.70 N ATOM 444 CA VAL A 26 8.452 4.879 9.154 1.00 0.81 C ATOM 445 C VAL A 26 9.909 4.605 8.768 1.00 0.92 C ATOM 446 O VAL A 26 10.551 5.441 8.133 1.00 1.51 O ATOM 447 CB VAL A 26 8.058 4.021 10.376 1.00 0.95 C ATOM 448 CG1 VAL A 26 6.973 4.715 11.183 1.00 1.32 C ATOM 449 CG2 VAL A 26 7.595 2.638 9.939 1.00 1.07 C ATOM 0 H VAL A 26 7.246 3.692 7.913 1.00 0.70 H new ATOM 0 HA VAL A 26 8.364 5.931 9.427 1.00 0.81 H new ATOM 0 HB VAL A 26 8.938 3.901 11.008 1.00 0.95 H new ATOM 0 HG11 VAL A 26 6.706 4.098 12.041 1.00 1.32 H new ATOM 0 HG12 VAL A 26 7.340 5.681 11.531 1.00 1.32 H new ATOM 0 HG13 VAL A 26 6.094 4.865 10.557 1.00 1.32 H new ATOM 0 HG21 VAL A 26 7.323 2.051 10.816 1.00 1.07 H new ATOM 0 HG22 VAL A 26 6.729 2.734 9.284 1.00 1.07 H new ATOM 0 HG23 VAL A 26 8.401 2.137 9.403 1.00 1.07 H new ATOM 459 N GLY A 27 10.428 3.439 9.150 1.00 0.93 N ATOM 460 CA GLY A 27 11.803 3.096 8.828 1.00 0.96 C ATOM 461 C GLY A 27 11.907 2.225 7.594 1.00 0.89 C ATOM 462 O GLY A 27 11.921 2.729 6.470 1.00 0.98 O ATOM 0 H GLY A 27 9.921 2.727 9.676 1.00 0.93 H new ATOM 0 HA2 GLY A 27 12.376 4.010 8.673 1.00 0.96 H new ATOM 0 HA3 GLY A 27 12.253 2.577 9.674 1.00 0.96 H new ATOM 466 N LYS A 28 11.983 0.916 7.802 1.00 0.91 N ATOM 467 CA LYS A 28 12.081 -0.029 6.696 1.00 0.97 C ATOM 468 C LYS A 28 10.778 -0.802 6.529 1.00 0.77 C ATOM 469 O LYS A 28 10.702 -1.752 5.749 1.00 0.86 O ATOM 470 CB LYS A 28 13.248 -0.992 6.915 1.00 1.22 C ATOM 471 CG LYS A 28 13.256 -1.644 8.286 1.00 1.60 C ATOM 472 CD LYS A 28 14.452 -2.569 8.468 1.00 1.99 C ATOM 473 CE LYS A 28 15.751 -1.793 8.645 1.00 2.47 C ATOM 474 NZ LYS A 28 16.274 -1.263 7.356 1.00 3.21 N ATOM 0 H LYS A 28 11.979 0.485 8.726 1.00 0.91 H new ATOM 0 HA LYS A 28 12.264 0.535 5.782 1.00 0.97 H new ATOM 0 HB2 LYS A 28 13.212 -1.771 6.153 1.00 1.22 H new ATOM 0 HB3 LYS A 28 14.184 -0.451 6.775 1.00 1.22 H new ATOM 0 HG2 LYS A 28 13.274 -0.872 9.055 1.00 1.60 H new ATOM 0 HG3 LYS A 28 12.335 -2.210 8.424 1.00 1.60 H new ATOM 0 HD2 LYS A 28 14.289 -3.206 9.337 1.00 1.99 H new ATOM 0 HD3 LYS A 28 14.537 -3.226 7.603 1.00 1.99 H new ATOM 0 HE2 LYS A 28 15.586 -0.966 9.335 1.00 2.47 H new ATOM 0 HE3 LYS A 28 16.500 -2.442 9.099 1.00 2.47 H new ATOM 0 HZ1 LYS A 28 17.290 -1.473 7.281 1.00 3.21 H new ATOM 0 HZ2 LYS A 28 15.768 -1.711 6.566 1.00 3.21 H new ATOM 0 HZ3 LYS A 28 16.130 -0.234 7.320 1.00 3.21 H new ATOM 488 N MET A 29 9.754 -0.388 7.269 1.00 0.60 N ATOM 489 CA MET A 29 8.446 -1.026 7.195 1.00 0.52 C ATOM 490 C MET A 29 7.370 0.003 6.870 1.00 0.43 C ATOM 491 O MET A 29 7.618 1.209 6.910 1.00 0.47 O ATOM 492 CB MET A 29 8.117 -1.743 8.506 1.00 0.60 C ATOM 493 CG MET A 29 8.207 -0.853 9.732 1.00 1.39 C ATOM 494 SD MET A 29 7.716 -1.705 11.243 1.00 1.86 S ATOM 495 CE MET A 29 8.847 -3.094 11.236 1.00 2.42 C ATOM 0 H MET A 29 9.806 0.389 7.928 1.00 0.60 H new ATOM 0 HA MET A 29 8.473 -1.767 6.396 1.00 0.52 H new ATOM 0 HB2 MET A 29 7.110 -2.155 8.441 1.00 0.60 H new ATOM 0 HB3 MET A 29 8.798 -2.585 8.629 1.00 0.60 H new ATOM 0 HG2 MET A 29 9.229 -0.490 9.839 1.00 1.39 H new ATOM 0 HG3 MET A 29 7.572 0.021 9.589 1.00 1.39 H new ATOM 0 HE1 MET A 29 8.910 -3.517 12.239 1.00 2.42 H new ATOM 0 HE2 MET A 29 8.486 -3.854 10.543 1.00 2.42 H new ATOM 0 HE3 MET A 29 9.835 -2.757 10.922 1.00 2.42 H new ATOM 505 N VAL A 30 6.175 -0.478 6.551 1.00 0.52 N ATOM 506 CA VAL A 30 5.066 0.401 6.202 1.00 0.45 C ATOM 507 C VAL A 30 3.998 0.421 7.289 1.00 0.44 C ATOM 508 O VAL A 30 3.367 -0.596 7.570 1.00 0.61 O ATOM 509 CB VAL A 30 4.419 -0.033 4.875 1.00 0.56 C ATOM 510 CG1 VAL A 30 3.417 1.006 4.399 1.00 0.54 C ATOM 511 CG2 VAL A 30 5.487 -0.285 3.821 1.00 0.61 C ATOM 0 H VAL A 30 5.949 -1.472 6.527 1.00 0.52 H new ATOM 0 HA VAL A 30 5.480 1.404 6.098 1.00 0.45 H new ATOM 0 HB VAL A 30 3.879 -0.965 5.042 1.00 0.56 H new ATOM 0 HG11 VAL A 30 2.972 0.679 3.459 1.00 0.54 H new ATOM 0 HG12 VAL A 30 2.635 1.127 5.148 1.00 0.54 H new ATOM 0 HG13 VAL A 30 3.925 1.959 4.247 1.00 0.54 H new ATOM 0 HG21 VAL A 30 5.013 -0.591 2.889 1.00 0.61 H new ATOM 0 HG22 VAL A 30 6.057 0.629 3.655 1.00 0.61 H new ATOM 0 HG23 VAL A 30 6.157 -1.074 4.163 1.00 0.61 H new ATOM 521 N SER A 31 3.800 1.590 7.891 1.00 0.35 N ATOM 522 CA SER A 31 2.801 1.752 8.942 1.00 0.39 C ATOM 523 C SER A 31 1.640 2.609 8.452 1.00 0.37 C ATOM 524 O SER A 31 1.674 3.836 8.558 1.00 0.48 O ATOM 525 CB SER A 31 3.428 2.385 10.184 1.00 0.53 C ATOM 526 OG SER A 31 4.444 1.558 10.723 1.00 1.25 O ATOM 0 H SER A 31 4.319 2.440 7.669 1.00 0.35 H new ATOM 0 HA SER A 31 2.421 0.764 9.204 1.00 0.39 H new ATOM 0 HB2 SER A 31 3.846 3.359 9.928 1.00 0.53 H new ATOM 0 HB3 SER A 31 2.658 2.557 10.936 1.00 0.53 H new ATOM 0 HG SER A 31 4.829 1.987 11.515 1.00 1.25 H new ATOM 532 N PHE A 32 0.617 1.956 7.914 1.00 0.34 N ATOM 533 CA PHE A 32 -0.553 2.658 7.399 1.00 0.34 C ATOM 534 C PHE A 32 -1.725 2.559 8.371 1.00 0.34 C ATOM 535 O PHE A 32 -1.657 1.852 9.377 1.00 0.35 O ATOM 536 CB PHE A 32 -0.955 2.088 6.037 1.00 0.35 C ATOM 537 CG PHE A 32 -1.330 0.634 6.079 1.00 0.37 C ATOM 538 CD1 PHE A 32 -0.356 -0.349 6.000 1.00 0.49 C ATOM 539 CD2 PHE A 32 -2.656 0.250 6.200 1.00 0.42 C ATOM 540 CE1 PHE A 32 -0.697 -1.686 6.040 1.00 0.61 C ATOM 541 CE2 PHE A 32 -3.004 -1.086 6.240 1.00 0.53 C ATOM 542 CZ PHE A 32 -2.023 -2.055 6.161 1.00 0.61 C ATOM 0 H PHE A 32 0.574 0.941 7.823 1.00 0.34 H new ATOM 0 HA PHE A 32 -0.291 3.710 7.284 1.00 0.34 H new ATOM 0 HB2 PHE A 32 -1.797 2.660 5.647 1.00 0.35 H new ATOM 0 HB3 PHE A 32 -0.129 2.221 5.339 1.00 0.35 H new ATOM 0 HD1 PHE A 32 0.682 -0.066 5.906 1.00 0.49 H new ATOM 0 HD2 PHE A 32 -3.426 1.004 6.264 1.00 0.42 H new ATOM 0 HE1 PHE A 32 0.071 -2.442 5.977 1.00 0.61 H new ATOM 0 HE2 PHE A 32 -4.041 -1.372 6.333 1.00 0.53 H new ATOM 0 HZ PHE A 32 -2.292 -3.100 6.194 1.00 0.61 H new ATOM 552 N THR A 33 -2.798 3.274 8.056 1.00 0.38 N ATOM 553 CA THR A 33 -3.995 3.276 8.886 1.00 0.46 C ATOM 554 C THR A 33 -5.243 3.087 8.033 1.00 0.50 C ATOM 555 O THR A 33 -5.594 3.949 7.228 1.00 0.62 O ATOM 556 CB THR A 33 -4.127 4.583 9.688 1.00 0.57 C ATOM 557 OG1 THR A 33 -3.920 5.710 8.828 1.00 1.17 O ATOM 558 CG2 THR A 33 -3.126 4.622 10.832 1.00 1.06 C ATOM 0 H THR A 33 -2.863 3.863 7.226 1.00 0.38 H new ATOM 0 HA THR A 33 -3.899 2.445 9.585 1.00 0.46 H new ATOM 0 HB THR A 33 -5.133 4.625 10.106 1.00 0.57 H new ATOM 0 HG1 THR A 33 -4.007 6.537 9.346 1.00 1.17 H new ATOM 0 HG21 THR A 33 -3.240 5.555 11.383 1.00 1.06 H new ATOM 0 HG22 THR A 33 -3.306 3.781 11.502 1.00 1.06 H new ATOM 0 HG23 THR A 33 -2.114 4.558 10.432 1.00 1.06 H new ATOM 566 N TYR A 34 -5.905 1.950 8.214 1.00 0.54 N ATOM 567 CA TYR A 34 -7.114 1.644 7.462 1.00 0.63 C ATOM 568 C TYR A 34 -8.353 1.890 8.315 1.00 0.70 C ATOM 569 O TYR A 34 -8.277 1.934 9.542 1.00 0.95 O ATOM 570 CB TYR A 34 -7.087 0.192 6.974 1.00 0.69 C ATOM 571 CG TYR A 34 -6.972 -0.828 8.084 1.00 0.64 C ATOM 572 CD1 TYR A 34 -5.749 -1.094 8.686 1.00 0.66 C ATOM 573 CD2 TYR A 34 -8.087 -1.530 8.523 1.00 0.76 C ATOM 574 CE1 TYR A 34 -5.641 -2.028 9.699 1.00 0.72 C ATOM 575 CE2 TYR A 34 -7.986 -2.466 9.535 1.00 0.81 C ATOM 576 CZ TYR A 34 -6.762 -2.712 10.119 1.00 0.75 C ATOM 577 OH TYR A 34 -6.659 -3.642 11.128 1.00 0.87 O ATOM 0 H TYR A 34 -5.624 1.226 8.875 1.00 0.54 H new ATOM 0 HA TYR A 34 -7.154 2.303 6.595 1.00 0.63 H new ATOM 0 HB2 TYR A 34 -7.995 -0.006 6.405 1.00 0.69 H new ATOM 0 HB3 TYR A 34 -6.248 0.065 6.290 1.00 0.69 H new ATOM 0 HD1 TYR A 34 -4.868 -0.562 8.357 1.00 0.66 H new ATOM 0 HD2 TYR A 34 -9.048 -1.342 8.067 1.00 0.76 H new ATOM 0 HE1 TYR A 34 -4.683 -2.221 10.159 1.00 0.72 H new ATOM 0 HE2 TYR A 34 -8.863 -3.002 9.867 1.00 0.81 H new ATOM 0 HH TYR A 34 -5.974 -3.356 11.768 1.00 0.87 H new ATOM 587 N ASP A 35 -9.492 2.055 7.654 1.00 1.05 N ATOM 588 CA ASP A 35 -10.747 2.305 8.346 1.00 1.19 C ATOM 589 C ASP A 35 -11.484 1.006 8.645 1.00 1.20 C ATOM 590 O ASP A 35 -12.164 0.454 7.779 1.00 1.46 O ATOM 591 CB ASP A 35 -11.632 3.225 7.507 1.00 1.51 C ATOM 592 CG ASP A 35 -12.931 3.567 8.207 1.00 1.63 C ATOM 593 OD1 ASP A 35 -12.880 4.218 9.270 1.00 2.12 O ATOM 594 OD2 ASP A 35 -14.001 3.185 7.689 1.00 1.99 O ATOM 0 H ASP A 35 -9.571 2.020 6.638 1.00 1.05 H new ATOM 0 HA ASP A 35 -10.517 2.789 9.295 1.00 1.19 H new ATOM 0 HB2 ASP A 35 -11.089 4.144 7.284 1.00 1.51 H new ATOM 0 HB3 ASP A 35 -11.851 2.745 6.553 1.00 1.51 H new ATOM 599 N ASP A 36 -11.344 0.523 9.873 1.00 1.24 N ATOM 600 CA ASP A 36 -12.006 -0.705 10.287 1.00 1.47 C ATOM 601 C ASP A 36 -13.281 -0.381 11.056 1.00 1.69 C ATOM 602 O ASP A 36 -13.960 -1.276 11.558 1.00 2.10 O ATOM 603 CB ASP A 36 -11.074 -1.556 11.149 1.00 1.93 C ATOM 604 CG ASP A 36 -11.599 -2.963 11.341 1.00 2.68 C ATOM 605 OD1 ASP A 36 -11.687 -3.704 10.340 1.00 3.47 O ATOM 606 OD2 ASP A 36 -11.926 -3.325 12.490 1.00 2.88 O ATOM 0 H ASP A 36 -10.778 0.963 10.598 1.00 1.24 H new ATOM 0 HA ASP A 36 -12.266 -1.274 9.394 1.00 1.47 H new ATOM 0 HB2 ASP A 36 -10.089 -1.598 10.684 1.00 1.93 H new ATOM 0 HB3 ASP A 36 -10.947 -1.081 12.122 1.00 1.93 H new ATOM 611 N ASN A 37 -13.586 0.917 11.137 1.00 2.04 N ATOM 612 CA ASN A 37 -14.780 1.412 11.826 1.00 2.52 C ATOM 613 C ASN A 37 -14.640 1.314 13.336 1.00 2.87 C ATOM 614 O ASN A 37 -14.555 2.333 14.020 1.00 3.52 O ATOM 615 CB ASN A 37 -16.021 0.651 11.368 1.00 3.11 C ATOM 616 CG ASN A 37 -16.042 0.455 9.870 1.00 3.61 C ATOM 617 OD1 ASN A 37 -16.540 -0.552 9.375 1.00 4.37 O ATOM 618 ND2 ASN A 37 -15.496 1.420 9.139 1.00 3.58 N ATOM 0 H ASN A 37 -13.012 1.654 10.727 1.00 2.04 H new ATOM 0 HA ASN A 37 -14.890 2.465 11.565 1.00 2.52 H new ATOM 0 HB2 ASN A 37 -16.054 -0.320 11.862 1.00 3.11 H new ATOM 0 HB3 ASN A 37 -16.914 1.195 11.675 1.00 3.11 H new ATOM 0 HD21 ASN A 37 -15.479 1.342 8.122 1.00 3.58 H new ATOM 0 HD22 ASN A 37 -15.094 2.239 9.594 1.00 3.58 H new ATOM 625 N GLY A 38 -14.627 0.087 13.849 1.00 3.05 N ATOM 626 CA GLY A 38 -14.505 -0.125 15.279 1.00 3.84 C ATOM 627 C GLY A 38 -13.450 0.755 15.918 1.00 3.87 C ATOM 628 O GLY A 38 -13.615 1.204 17.052 1.00 4.27 O ATOM 0 H GLY A 38 -14.699 -0.767 13.296 1.00 3.05 H new ATOM 0 HA2 GLY A 38 -15.467 0.068 15.753 1.00 3.84 H new ATOM 0 HA3 GLY A 38 -14.261 -1.171 15.467 1.00 3.84 H new ATOM 632 N LYS A 39 -12.366 1.006 15.192 1.00 3.58 N ATOM 633 CA LYS A 39 -11.286 1.840 15.705 1.00 3.65 C ATOM 634 C LYS A 39 -10.297 2.196 14.604 1.00 3.06 C ATOM 635 O LYS A 39 -10.470 1.810 13.448 1.00 3.00 O ATOM 636 CB LYS A 39 -10.550 1.123 16.843 1.00 3.97 C ATOM 637 CG LYS A 39 -9.634 -0.002 16.376 1.00 4.01 C ATOM 638 CD LYS A 39 -10.415 -1.234 15.944 1.00 4.09 C ATOM 639 CE LYS A 39 -10.987 -1.976 17.140 1.00 4.30 C ATOM 640 NZ LYS A 39 -11.600 -3.274 16.746 1.00 4.81 N ATOM 0 H LYS A 39 -12.212 0.645 14.250 1.00 3.58 H new ATOM 0 HA LYS A 39 -11.730 2.760 16.085 1.00 3.65 H new ATOM 0 HB2 LYS A 39 -9.959 1.853 17.397 1.00 3.97 H new ATOM 0 HB3 LYS A 39 -11.285 0.715 17.537 1.00 3.97 H new ATOM 0 HG2 LYS A 39 -9.024 0.350 15.544 1.00 4.01 H new ATOM 0 HG3 LYS A 39 -8.951 -0.271 17.182 1.00 4.01 H new ATOM 0 HD2 LYS A 39 -11.224 -0.938 15.277 1.00 4.09 H new ATOM 0 HD3 LYS A 39 -9.763 -1.900 15.379 1.00 4.09 H new ATOM 0 HE2 LYS A 39 -10.196 -2.154 17.869 1.00 4.30 H new ATOM 0 HE3 LYS A 39 -11.737 -1.354 17.629 1.00 4.30 H new ATOM 0 HZ1 LYS A 39 -11.979 -3.749 17.590 1.00 4.81 H new ATOM 0 HZ2 LYS A 39 -12.371 -3.103 16.070 1.00 4.81 H new ATOM 0 HZ3 LYS A 39 -10.879 -3.878 16.303 1.00 4.81 H new ATOM 654 N THR A 40 -9.262 2.939 14.976 1.00 2.83 N ATOM 655 CA THR A 40 -8.233 3.338 14.030 1.00 2.37 C ATOM 656 C THR A 40 -7.345 2.148 13.690 1.00 1.60 C ATOM 657 O THR A 40 -6.312 1.929 14.322 1.00 2.02 O ATOM 658 CB THR A 40 -7.364 4.482 14.586 1.00 2.76 C ATOM 659 OG1 THR A 40 -8.181 5.628 14.853 1.00 2.97 O ATOM 660 CG2 THR A 40 -6.265 4.860 13.605 1.00 3.08 C ATOM 0 H THR A 40 -9.115 3.277 15.927 1.00 2.83 H new ATOM 0 HA THR A 40 -8.734 3.695 13.130 1.00 2.37 H new ATOM 0 HB THR A 40 -6.900 4.137 15.510 1.00 2.76 H new ATOM 0 HG1 THR A 40 -7.624 6.352 15.208 1.00 2.97 H new ATOM 0 HG21 THR A 40 -5.667 5.670 14.023 1.00 3.08 H new ATOM 0 HG22 THR A 40 -5.627 3.995 13.422 1.00 3.08 H new ATOM 0 HG23 THR A 40 -6.712 5.186 12.666 1.00 3.08 H new ATOM 668 N GLY A 41 -7.765 1.377 12.697 1.00 1.15 N ATOM 669 CA GLY A 41 -7.004 0.216 12.289 1.00 0.83 C ATOM 670 C GLY A 41 -5.614 0.574 11.806 1.00 0.61 C ATOM 671 O GLY A 41 -5.452 1.440 10.948 1.00 0.62 O ATOM 0 H GLY A 41 -8.621 1.536 12.166 1.00 1.15 H new ATOM 0 HA2 GLY A 41 -6.927 -0.477 13.127 1.00 0.83 H new ATOM 0 HA3 GLY A 41 -7.539 -0.304 11.494 1.00 0.83 H new ATOM 675 N ARG A 42 -4.609 -0.090 12.366 1.00 0.52 N ATOM 676 CA ARG A 42 -3.225 0.154 11.982 1.00 0.51 C ATOM 677 C ARG A 42 -2.557 -1.143 11.537 1.00 0.47 C ATOM 678 O ARG A 42 -2.567 -2.139 12.261 1.00 0.61 O ATOM 679 CB ARG A 42 -2.445 0.779 13.140 1.00 0.76 C ATOM 680 CG ARG A 42 -0.942 0.802 12.913 1.00 1.24 C ATOM 681 CD ARG A 42 -0.229 1.648 13.952 1.00 1.30 C ATOM 682 NE ARG A 42 -0.395 3.076 13.702 1.00 1.86 N ATOM 683 CZ ARG A 42 0.566 3.853 13.213 1.00 2.34 C ATOM 684 NH1 ARG A 42 1.744 3.338 12.893 1.00 2.55 N ATOM 685 NH2 ARG A 42 0.347 5.148 13.038 1.00 3.13 N ATOM 0 H ARG A 42 -4.728 -0.801 13.087 1.00 0.52 H new ATOM 0 HA ARG A 42 -3.223 0.853 11.146 1.00 0.51 H new ATOM 0 HB2 ARG A 42 -2.797 1.799 13.297 1.00 0.76 H new ATOM 0 HB3 ARG A 42 -2.659 0.224 14.054 1.00 0.76 H new ATOM 0 HG2 ARG A 42 -0.554 -0.216 12.944 1.00 1.24 H new ATOM 0 HG3 ARG A 42 -0.730 1.193 11.918 1.00 1.24 H new ATOM 0 HD2 ARG A 42 -0.614 1.406 14.943 1.00 1.30 H new ATOM 0 HD3 ARG A 42 0.833 1.401 13.954 1.00 1.30 H new ATOM 0 HE ARG A 42 -1.298 3.501 13.914 1.00 1.86 H new ATOM 0 HH11 ARG A 42 1.917 2.341 13.022 1.00 2.55 H new ATOM 0 HH12 ARG A 42 2.478 3.939 12.518 1.00 2.55 H new ATOM 0 HH21 ARG A 42 -0.559 5.549 13.279 1.00 3.13 H new ATOM 0 HH22 ARG A 42 1.085 5.744 12.663 1.00 3.13 H new ATOM 699 N GLY A 43 -1.980 -1.120 10.341 1.00 0.40 N ATOM 700 CA GLY A 43 -1.313 -2.296 9.816 1.00 0.43 C ATOM 701 C GLY A 43 0.156 -2.051 9.535 1.00 0.38 C ATOM 702 O GLY A 43 0.543 -0.955 9.132 1.00 0.39 O ATOM 0 H GLY A 43 -1.962 -0.307 9.725 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -1.412 -3.115 10.529 1.00 0.43 H new ATOM 0 HA3 GLY A 43 -1.808 -2.611 8.897 1.00 0.43 H new ATOM 706 N ALA A 44 0.973 -3.076 9.751 1.00 0.38 N ATOM 707 CA ALA A 44 2.408 -2.971 9.518 1.00 0.39 C ATOM 708 C ALA A 44 2.908 -4.125 8.657 1.00 0.44 C ATOM 709 O ALA A 44 2.704 -5.292 8.990 1.00 0.53 O ATOM 710 CB ALA A 44 3.157 -2.936 10.840 1.00 0.46 C ATOM 0 H ALA A 44 0.666 -3.989 10.087 1.00 0.38 H new ATOM 0 HA ALA A 44 2.597 -2.041 8.982 1.00 0.39 H new ATOM 0 HB1 ALA A 44 4.227 -2.857 10.650 1.00 0.46 H new ATOM 0 HB2 ALA A 44 2.828 -2.075 11.422 1.00 0.46 H new ATOM 0 HB3 ALA A 44 2.954 -3.850 11.398 1.00 0.46 H new ATOM 716 N VAL A 45 3.563 -3.791 7.550 1.00 0.45 N ATOM 717 CA VAL A 45 4.093 -4.800 6.645 1.00 0.54 C ATOM 718 C VAL A 45 5.394 -4.331 6.001 1.00 0.47 C ATOM 719 O VAL A 45 5.529 -3.163 5.632 1.00 0.49 O ATOM 720 CB VAL A 45 3.075 -5.155 5.541 1.00 0.70 C ATOM 721 CG1 VAL A 45 2.760 -3.938 4.686 1.00 1.21 C ATOM 722 CG2 VAL A 45 3.591 -6.300 4.682 1.00 1.50 C ATOM 0 H VAL A 45 3.739 -2.829 7.259 1.00 0.45 H new ATOM 0 HA VAL A 45 4.291 -5.691 7.241 1.00 0.54 H new ATOM 0 HB VAL A 45 2.152 -5.479 6.021 1.00 0.70 H new ATOM 0 HG11 VAL A 45 2.040 -4.212 3.914 1.00 1.21 H new ATOM 0 HG12 VAL A 45 2.339 -3.152 5.313 1.00 1.21 H new ATOM 0 HG13 VAL A 45 3.675 -3.576 4.217 1.00 1.21 H new ATOM 0 HG21 VAL A 45 2.858 -6.534 3.910 1.00 1.50 H new ATOM 0 HG22 VAL A 45 4.531 -6.008 4.214 1.00 1.50 H new ATOM 0 HG23 VAL A 45 3.754 -7.178 5.306 1.00 1.50 H new ATOM 732 N SER A 46 6.350 -5.247 5.878 1.00 0.51 N ATOM 733 CA SER A 46 7.642 -4.934 5.276 1.00 0.62 C ATOM 734 C SER A 46 7.458 -4.364 3.874 1.00 0.74 C ATOM 735 O SER A 46 6.620 -4.837 3.108 1.00 1.13 O ATOM 736 CB SER A 46 8.515 -6.188 5.220 1.00 0.78 C ATOM 737 OG SER A 46 8.702 -6.739 6.512 1.00 1.26 O ATOM 0 H SER A 46 6.254 -6.214 6.188 1.00 0.51 H new ATOM 0 HA SER A 46 8.136 -4.184 5.893 1.00 0.62 H new ATOM 0 HB2 SER A 46 8.051 -6.929 4.569 1.00 0.78 H new ATOM 0 HB3 SER A 46 9.483 -5.942 4.783 1.00 0.78 H new ATOM 0 HG SER A 46 9.262 -7.541 6.448 1.00 1.26 H new ATOM 743 N GLU A 47 8.250 -3.346 3.546 1.00 0.64 N ATOM 744 CA GLU A 47 8.169 -2.704 2.239 1.00 0.78 C ATOM 745 C GLU A 47 8.482 -3.685 1.113 1.00 0.69 C ATOM 746 O GLU A 47 7.874 -3.622 0.045 1.00 0.81 O ATOM 747 CB GLU A 47 9.119 -1.506 2.175 1.00 1.15 C ATOM 748 CG GLU A 47 10.557 -1.846 2.519 1.00 1.53 C ATOM 749 CD GLU A 47 11.461 -0.630 2.488 1.00 1.83 C ATOM 750 OE1 GLU A 47 11.594 0.037 3.536 1.00 2.34 O ATOM 751 OE2 GLU A 47 12.035 -0.344 1.417 1.00 2.01 O ATOM 0 H GLU A 47 8.954 -2.949 4.168 1.00 0.64 H new ATOM 0 HA GLU A 47 7.145 -2.355 2.104 1.00 0.78 H new ATOM 0 HB2 GLU A 47 9.086 -1.081 1.172 1.00 1.15 H new ATOM 0 HB3 GLU A 47 8.764 -0.736 2.859 1.00 1.15 H new ATOM 0 HG2 GLU A 47 10.594 -2.297 3.510 1.00 1.53 H new ATOM 0 HG3 GLU A 47 10.930 -2.591 1.816 1.00 1.53 H new ATOM 758 N LYS A 48 9.432 -4.587 1.349 1.00 0.67 N ATOM 759 CA LYS A 48 9.801 -5.573 0.340 1.00 0.76 C ATOM 760 C LYS A 48 8.751 -6.676 0.269 1.00 0.70 C ATOM 761 O LYS A 48 8.666 -7.409 -0.716 1.00 0.83 O ATOM 762 CB LYS A 48 11.182 -6.170 0.639 1.00 0.93 C ATOM 763 CG LYS A 48 11.179 -7.224 1.734 1.00 1.63 C ATOM 764 CD LYS A 48 12.566 -7.809 1.942 1.00 2.06 C ATOM 765 CE LYS A 48 12.523 -9.041 2.829 1.00 2.59 C ATOM 766 NZ LYS A 48 11.742 -10.145 2.209 1.00 3.35 N ATOM 0 H LYS A 48 9.955 -4.655 2.222 1.00 0.67 H new ATOM 0 HA LYS A 48 9.849 -5.071 -0.626 1.00 0.76 H new ATOM 0 HB2 LYS A 48 11.580 -6.612 -0.274 1.00 0.93 H new ATOM 0 HB3 LYS A 48 11.859 -5.366 0.926 1.00 0.93 H new ATOM 0 HG2 LYS A 48 10.825 -6.782 2.666 1.00 1.63 H new ATOM 0 HG3 LYS A 48 10.482 -8.020 1.473 1.00 1.63 H new ATOM 0 HD2 LYS A 48 13.001 -8.069 0.977 1.00 2.06 H new ATOM 0 HD3 LYS A 48 13.215 -7.058 2.392 1.00 2.06 H new ATOM 0 HE2 LYS A 48 13.539 -9.382 3.026 1.00 2.59 H new ATOM 0 HE3 LYS A 48 12.082 -8.780 3.791 1.00 2.59 H new ATOM 0 HZ1 LYS A 48 12.017 -11.050 2.641 1.00 3.35 H new ATOM 0 HZ2 LYS A 48 10.727 -9.982 2.365 1.00 3.35 H new ATOM 0 HZ3 LYS A 48 11.935 -10.176 1.188 1.00 3.35 H new ATOM 780 N ASP A 49 7.952 -6.782 1.326 1.00 0.59 N ATOM 781 CA ASP A 49 6.895 -7.780 1.393 1.00 0.65 C ATOM 782 C ASP A 49 5.540 -7.120 1.164 1.00 0.66 C ATOM 783 O ASP A 49 4.491 -7.733 1.367 1.00 0.72 O ATOM 784 CB ASP A 49 6.920 -8.483 2.753 1.00 0.68 C ATOM 785 CG ASP A 49 6.084 -9.746 2.773 1.00 1.28 C ATOM 786 OD1 ASP A 49 6.514 -10.753 2.171 1.00 1.27 O ATOM 787 OD2 ASP A 49 5.000 -9.729 3.392 1.00 2.22 O ATOM 0 H ASP A 49 8.019 -6.185 2.150 1.00 0.59 H new ATOM 0 HA ASP A 49 7.060 -8.523 0.613 1.00 0.65 H new ATOM 0 HB2 ASP A 49 7.950 -8.730 3.011 1.00 0.68 H new ATOM 0 HB3 ASP A 49 6.555 -7.798 3.518 1.00 0.68 H new ATOM 792 N ALA A 50 5.577 -5.860 0.736 1.00 0.69 N ATOM 793 CA ALA A 50 4.363 -5.099 0.475 1.00 0.72 C ATOM 794 C ALA A 50 3.769 -5.462 -0.886 1.00 0.70 C ATOM 795 O ALA A 50 4.482 -5.487 -1.889 1.00 0.79 O ATOM 796 CB ALA A 50 4.661 -3.607 0.536 1.00 0.87 C ATOM 0 H ALA A 50 6.440 -5.345 0.563 1.00 0.69 H new ATOM 0 HA ALA A 50 3.631 -5.350 1.242 1.00 0.72 H new ATOM 0 HB1 ALA A 50 3.748 -3.045 0.340 1.00 0.87 H new ATOM 0 HB2 ALA A 50 5.038 -3.352 1.526 1.00 0.87 H new ATOM 0 HB3 ALA A 50 5.410 -3.355 -0.214 1.00 0.87 H new ATOM 802 N PRO A 51 2.453 -5.753 -0.944 1.00 0.65 N ATOM 803 CA PRO A 51 1.781 -6.109 -2.196 1.00 0.70 C ATOM 804 C PRO A 51 1.656 -4.914 -3.134 1.00 0.72 C ATOM 805 O PRO A 51 1.465 -3.787 -2.681 1.00 1.01 O ATOM 806 CB PRO A 51 0.390 -6.589 -1.751 1.00 0.72 C ATOM 807 CG PRO A 51 0.465 -6.724 -0.265 1.00 0.73 C ATOM 808 CD PRO A 51 1.517 -5.758 0.187 1.00 0.64 C ATOM 0 HA PRO A 51 2.338 -6.862 -2.753 1.00 0.70 H new ATOM 0 HB2 PRO A 51 -0.382 -5.876 -2.041 1.00 0.72 H new ATOM 0 HB3 PRO A 51 0.136 -7.540 -2.218 1.00 0.72 H new ATOM 0 HG2 PRO A 51 -0.496 -6.497 0.196 1.00 0.73 H new ATOM 0 HG3 PRO A 51 0.723 -7.744 0.021 1.00 0.73 H new ATOM 0 HD2 PRO A 51 1.104 -4.767 0.376 1.00 0.64 H new ATOM 0 HD3 PRO A 51 1.997 -6.084 1.110 1.00 0.64 H new ATOM 816 N LYS A 52 1.771 -5.178 -4.434 1.00 0.61 N ATOM 817 CA LYS A 52 1.687 -4.144 -5.470 1.00 0.70 C ATOM 818 C LYS A 52 0.724 -3.015 -5.096 1.00 0.60 C ATOM 819 O LYS A 52 1.078 -1.837 -5.172 1.00 0.70 O ATOM 820 CB LYS A 52 1.249 -4.785 -6.790 1.00 1.04 C ATOM 821 CG LYS A 52 0.989 -3.794 -7.914 1.00 1.38 C ATOM 822 CD LYS A 52 2.270 -3.126 -8.383 1.00 2.01 C ATOM 823 CE LYS A 52 2.059 -2.391 -9.695 1.00 2.22 C ATOM 824 NZ LYS A 52 0.908 -1.449 -9.624 1.00 2.97 N ATOM 0 H LYS A 52 1.926 -6.117 -4.802 1.00 0.61 H new ATOM 0 HA LYS A 52 2.677 -3.699 -5.573 1.00 0.70 H new ATOM 0 HB2 LYS A 52 2.018 -5.487 -7.112 1.00 1.04 H new ATOM 0 HB3 LYS A 52 0.342 -5.364 -6.615 1.00 1.04 H new ATOM 0 HG2 LYS A 52 0.520 -4.309 -8.752 1.00 1.38 H new ATOM 0 HG3 LYS A 52 0.286 -3.034 -7.573 1.00 1.38 H new ATOM 0 HD2 LYS A 52 2.617 -2.426 -7.623 1.00 2.01 H new ATOM 0 HD3 LYS A 52 3.051 -3.877 -8.505 1.00 2.01 H new ATOM 0 HE2 LYS A 52 2.964 -1.840 -9.952 1.00 2.22 H new ATOM 0 HE3 LYS A 52 1.888 -3.114 -10.493 1.00 2.22 H new ATOM 0 HZ1 LYS A 52 0.919 -0.825 -10.456 1.00 2.97 H new ATOM 0 HZ2 LYS A 52 0.019 -1.988 -9.607 1.00 2.97 H new ATOM 0 HZ3 LYS A 52 0.982 -0.875 -8.760 1.00 2.97 H new ATOM 838 N GLU A 53 -0.487 -3.385 -4.694 1.00 0.67 N ATOM 839 CA GLU A 53 -1.513 -2.413 -4.319 1.00 0.82 C ATOM 840 C GLU A 53 -0.988 -1.381 -3.320 1.00 0.80 C ATOM 841 O GLU A 53 -1.021 -0.178 -3.580 1.00 1.00 O ATOM 842 CB GLU A 53 -2.719 -3.136 -3.721 1.00 1.09 C ATOM 843 CG GLU A 53 -3.886 -2.217 -3.406 1.00 1.69 C ATOM 844 CD GLU A 53 -4.541 -1.662 -4.654 1.00 2.07 C ATOM 845 OE1 GLU A 53 -5.451 -2.327 -5.191 1.00 2.77 O ATOM 846 OE2 GLU A 53 -4.146 -0.562 -5.094 1.00 2.33 O ATOM 0 H GLU A 53 -0.785 -4.357 -4.619 1.00 0.67 H new ATOM 0 HA GLU A 53 -1.807 -1.881 -5.224 1.00 0.82 H new ATOM 0 HB2 GLU A 53 -3.052 -3.906 -4.417 1.00 1.09 H new ATOM 0 HB3 GLU A 53 -2.411 -3.644 -2.807 1.00 1.09 H new ATOM 0 HG2 GLU A 53 -4.627 -2.763 -2.823 1.00 1.69 H new ATOM 0 HG3 GLU A 53 -3.537 -1.392 -2.785 1.00 1.69 H new ATOM 853 N LEU A 54 -0.508 -1.860 -2.178 1.00 0.69 N ATOM 854 CA LEU A 54 0.006 -0.984 -1.130 1.00 0.74 C ATOM 855 C LEU A 54 1.353 -0.372 -1.512 1.00 0.78 C ATOM 856 O LEU A 54 1.709 0.708 -1.039 1.00 1.15 O ATOM 857 CB LEU A 54 0.139 -1.763 0.180 1.00 0.78 C ATOM 858 CG LEU A 54 0.631 -0.950 1.379 1.00 0.83 C ATOM 859 CD1 LEU A 54 -0.372 0.133 1.746 1.00 1.34 C ATOM 860 CD2 LEU A 54 0.885 -1.863 2.568 1.00 1.82 C ATOM 0 H LEU A 54 -0.464 -2.854 -1.953 1.00 0.69 H new ATOM 0 HA LEU A 54 -0.704 -0.167 -1.001 1.00 0.74 H new ATOM 0 HB2 LEU A 54 -0.832 -2.193 0.428 1.00 0.78 H new ATOM 0 HB3 LEU A 54 0.825 -2.595 0.020 1.00 0.78 H new ATOM 0 HG LEU A 54 1.568 -0.467 1.103 1.00 0.83 H new ATOM 0 HD11 LEU A 54 -0.001 0.698 2.601 1.00 1.34 H new ATOM 0 HD12 LEU A 54 -0.508 0.805 0.899 1.00 1.34 H new ATOM 0 HD13 LEU A 54 -1.327 -0.327 2.002 1.00 1.34 H new ATOM 0 HD21 LEU A 54 1.235 -1.271 3.414 1.00 1.82 H new ATOM 0 HD22 LEU A 54 -0.040 -2.373 2.839 1.00 1.82 H new ATOM 0 HD23 LEU A 54 1.642 -2.601 2.305 1.00 1.82 H new ATOM 872 N LEU A 55 2.094 -1.063 -2.369 1.00 0.63 N ATOM 873 CA LEU A 55 3.403 -0.587 -2.803 1.00 0.65 C ATOM 874 C LEU A 55 3.260 0.623 -3.719 1.00 0.66 C ATOM 875 O LEU A 55 4.159 1.459 -3.807 1.00 0.76 O ATOM 876 CB LEU A 55 4.162 -1.705 -3.524 1.00 0.68 C ATOM 877 CG LEU A 55 5.636 -1.849 -3.137 1.00 0.99 C ATOM 878 CD1 LEU A 55 6.252 -3.053 -3.831 1.00 1.18 C ATOM 879 CD2 LEU A 55 6.410 -0.586 -3.483 1.00 1.87 C ATOM 0 H LEU A 55 1.812 -1.954 -2.777 1.00 0.63 H new ATOM 0 HA LEU A 55 3.968 -0.288 -1.920 1.00 0.65 H new ATOM 0 HB2 LEU A 55 3.657 -2.651 -3.326 1.00 0.68 H new ATOM 0 HB3 LEU A 55 4.101 -1.529 -4.598 1.00 0.68 H new ATOM 0 HG LEU A 55 5.692 -2.001 -2.059 1.00 0.99 H new ATOM 0 HD11 LEU A 55 7.300 -3.141 -3.545 1.00 1.18 H new ATOM 0 HD12 LEU A 55 5.718 -3.956 -3.535 1.00 1.18 H new ATOM 0 HD13 LEU A 55 6.180 -2.927 -4.911 1.00 1.18 H new ATOM 0 HD21 LEU A 55 7.455 -0.711 -3.199 1.00 1.87 H new ATOM 0 HD22 LEU A 55 6.345 -0.401 -4.555 1.00 1.87 H new ATOM 0 HD23 LEU A 55 5.986 0.260 -2.943 1.00 1.87 H new ATOM 891 N ASP A 56 2.120 0.711 -4.395 1.00 0.64 N ATOM 892 CA ASP A 56 1.854 1.815 -5.307 1.00 0.69 C ATOM 893 C ASP A 56 1.384 3.050 -4.543 1.00 0.76 C ATOM 894 O ASP A 56 1.542 4.177 -5.011 1.00 0.90 O ATOM 895 CB ASP A 56 0.805 1.404 -6.340 1.00 0.79 C ATOM 896 CG ASP A 56 0.571 2.473 -7.388 1.00 1.12 C ATOM 897 OD1 ASP A 56 -0.287 3.350 -7.160 1.00 1.59 O ATOM 898 OD2 ASP A 56 1.247 2.433 -8.437 1.00 1.33 O ATOM 0 H ASP A 56 1.364 0.029 -4.328 1.00 0.64 H new ATOM 0 HA ASP A 56 2.782 2.064 -5.822 1.00 0.69 H new ATOM 0 HB2 ASP A 56 1.123 0.484 -6.830 1.00 0.79 H new ATOM 0 HB3 ASP A 56 -0.134 1.186 -5.832 1.00 0.79 H new ATOM 903 N MET A 57 0.808 2.827 -3.365 1.00 0.75 N ATOM 904 CA MET A 57 0.319 3.920 -2.530 1.00 0.87 C ATOM 905 C MET A 57 1.469 4.613 -1.810 1.00 0.95 C ATOM 906 O MET A 57 1.282 5.648 -1.172 1.00 1.44 O ATOM 907 CB MET A 57 -0.692 3.397 -1.506 1.00 0.97 C ATOM 908 CG MET A 57 -2.048 3.064 -2.104 1.00 1.08 C ATOM 909 SD MET A 57 -2.850 4.501 -2.840 1.00 1.54 S ATOM 910 CE MET A 57 -4.338 3.759 -3.502 1.00 2.05 C ATOM 0 H MET A 57 0.668 1.898 -2.967 1.00 0.75 H new ATOM 0 HA MET A 57 -0.171 4.645 -3.180 1.00 0.87 H new ATOM 0 HB2 MET A 57 -0.285 2.505 -1.030 1.00 0.97 H new ATOM 0 HB3 MET A 57 -0.823 4.144 -0.723 1.00 0.97 H new ATOM 0 HG2 MET A 57 -1.927 2.291 -2.863 1.00 1.08 H new ATOM 0 HG3 MET A 57 -2.692 2.650 -1.328 1.00 1.08 H new ATOM 0 HE1 MET A 57 -4.940 4.525 -3.990 1.00 2.05 H new ATOM 0 HE2 MET A 57 -4.070 2.991 -4.228 1.00 2.05 H new ATOM 0 HE3 MET A 57 -4.911 3.308 -2.692 1.00 2.05 H new ATOM 920 N LEU A 58 2.661 4.035 -1.919 1.00 0.84 N ATOM 921 CA LEU A 58 3.844 4.595 -1.277 1.00 0.89 C ATOM 922 C LEU A 58 4.684 5.393 -2.265 1.00 0.97 C ATOM 923 O LEU A 58 5.309 6.388 -1.897 1.00 1.36 O ATOM 924 CB LEU A 58 4.692 3.480 -0.665 1.00 0.97 C ATOM 925 CG LEU A 58 4.279 3.048 0.741 1.00 0.87 C ATOM 926 CD1 LEU A 58 5.029 1.790 1.147 1.00 1.63 C ATOM 927 CD2 LEU A 58 4.537 4.166 1.739 1.00 1.59 C ATOM 0 H LEU A 58 2.833 3.179 -2.446 1.00 0.84 H new ATOM 0 HA LEU A 58 3.507 5.269 -0.489 1.00 0.89 H new ATOM 0 HB2 LEU A 58 4.651 2.611 -1.322 1.00 0.97 H new ATOM 0 HB3 LEU A 58 5.731 3.809 -0.637 1.00 0.97 H new ATOM 0 HG LEU A 58 3.211 2.830 0.737 1.00 0.87 H new ATOM 0 HD11 LEU A 58 4.725 1.493 2.151 1.00 1.63 H new ATOM 0 HD12 LEU A 58 4.799 0.987 0.446 1.00 1.63 H new ATOM 0 HD13 LEU A 58 6.101 1.986 1.135 1.00 1.63 H new ATOM 0 HD21 LEU A 58 4.237 3.841 2.735 1.00 1.59 H new ATOM 0 HD22 LEU A 58 5.599 4.413 1.742 1.00 1.59 H new ATOM 0 HD23 LEU A 58 3.961 5.047 1.456 1.00 1.59 H new ATOM 939 N ALA A 59 4.694 4.952 -3.518 1.00 0.84 N ATOM 940 CA ALA A 59 5.466 5.622 -4.558 1.00 0.93 C ATOM 941 C ALA A 59 5.015 7.066 -4.747 1.00 0.99 C ATOM 942 O ALA A 59 5.790 7.909 -5.195 1.00 1.11 O ATOM 943 CB ALA A 59 5.357 4.859 -5.870 1.00 1.07 C ATOM 0 H ALA A 59 4.176 4.134 -3.838 1.00 0.84 H new ATOM 0 HA ALA A 59 6.509 5.638 -4.241 1.00 0.93 H new ATOM 0 HB1 ALA A 59 5.938 5.370 -6.638 1.00 1.07 H new ATOM 0 HB2 ALA A 59 5.742 3.848 -5.736 1.00 1.07 H new ATOM 0 HB3 ALA A 59 4.312 4.811 -6.177 1.00 1.07 H new ATOM 949 N ARG A 60 3.764 7.349 -4.404 1.00 1.13 N ATOM 950 CA ARG A 60 3.223 8.698 -4.547 1.00 1.40 C ATOM 951 C ARG A 60 3.470 9.526 -3.290 1.00 1.53 C ATOM 952 O ARG A 60 2.854 10.574 -3.095 1.00 1.94 O ATOM 953 CB ARG A 60 1.726 8.637 -4.855 1.00 1.59 C ATOM 954 CG ARG A 60 0.896 8.034 -3.735 1.00 1.74 C ATOM 955 CD ARG A 60 -0.219 7.160 -4.283 1.00 1.93 C ATOM 956 NE ARG A 60 -0.992 7.842 -5.317 1.00 2.28 N ATOM 957 CZ ARG A 60 -1.412 7.254 -6.432 1.00 2.83 C ATOM 958 NH1 ARG A 60 -1.137 5.975 -6.654 1.00 3.12 N ATOM 959 NH2 ARG A 60 -2.108 7.942 -7.325 1.00 3.60 N ATOM 0 H ARG A 60 3.106 6.667 -4.026 1.00 1.13 H new ATOM 0 HA ARG A 60 3.737 9.183 -5.377 1.00 1.40 H new ATOM 0 HB2 ARG A 60 1.365 9.645 -5.061 1.00 1.59 H new ATOM 0 HB3 ARG A 60 1.574 8.053 -5.763 1.00 1.59 H new ATOM 0 HG2 ARG A 60 1.538 7.442 -3.082 1.00 1.74 H new ATOM 0 HG3 ARG A 60 0.470 8.831 -3.126 1.00 1.74 H new ATOM 0 HD2 ARG A 60 0.207 6.244 -4.694 1.00 1.93 H new ATOM 0 HD3 ARG A 60 -0.882 6.866 -3.469 1.00 1.93 H new ATOM 0 HE ARG A 60 -1.223 8.825 -5.175 1.00 2.28 H new ATOM 0 HH11 ARG A 60 -0.602 5.442 -5.968 1.00 3.12 H new ATOM 0 HH12 ARG A 60 -1.460 5.525 -7.510 1.00 3.12 H new ATOM 0 HH21 ARG A 60 -2.322 8.925 -7.157 1.00 3.60 H new ATOM 0 HH22 ARG A 60 -2.429 7.489 -8.180 1.00 3.60 H new ATOM 973 N ALA A 61 4.380 9.053 -2.444 1.00 1.52 N ATOM 974 CA ALA A 61 4.706 9.751 -1.207 1.00 1.79 C ATOM 975 C ALA A 61 6.213 9.819 -0.989 1.00 1.71 C ATOM 976 O ALA A 61 6.700 10.661 -0.238 1.00 2.10 O ATOM 977 CB ALA A 61 4.033 9.069 -0.024 1.00 1.95 C ATOM 0 H ALA A 61 4.904 8.190 -2.593 1.00 1.52 H new ATOM 0 HA ALA A 61 4.332 10.772 -1.289 1.00 1.79 H new ATOM 0 HB1 ALA A 61 4.285 9.600 0.894 1.00 1.95 H new ATOM 0 HB2 ALA A 61 2.952 9.080 -0.165 1.00 1.95 H new ATOM 0 HB3 ALA A 61 4.380 8.038 0.047 1.00 1.95 H new ATOM 983 N GLU A 62 6.948 8.931 -1.650 1.00 1.51 N ATOM 984 CA GLU A 62 8.400 8.893 -1.515 1.00 1.64 C ATOM 985 C GLU A 62 9.087 9.481 -2.743 1.00 1.93 C ATOM 986 O GLU A 62 10.217 9.117 -3.067 1.00 2.42 O ATOM 987 CB GLU A 62 8.873 7.457 -1.297 1.00 1.89 C ATOM 988 CG GLU A 62 8.509 6.518 -2.434 1.00 2.14 C ATOM 989 CD GLU A 62 9.177 5.166 -2.302 1.00 2.57 C ATOM 990 OE1 GLU A 62 8.792 4.400 -1.396 1.00 2.91 O ATOM 991 OE2 GLU A 62 10.091 4.876 -3.102 1.00 2.98 O ATOM 0 H GLU A 62 6.564 8.230 -2.283 1.00 1.51 H new ATOM 0 HA GLU A 62 8.670 9.499 -0.650 1.00 1.64 H new ATOM 0 HB2 GLU A 62 9.955 7.455 -1.168 1.00 1.89 H new ATOM 0 HB3 GLU A 62 8.441 7.078 -0.371 1.00 1.89 H new ATOM 0 HG2 GLU A 62 7.427 6.385 -2.460 1.00 2.14 H new ATOM 0 HG3 GLU A 62 8.797 6.971 -3.382 1.00 2.14 H new ATOM 998 N ARG A 63 8.402 10.393 -3.422 1.00 2.16 N ATOM 999 CA ARG A 63 8.952 11.029 -4.612 1.00 2.69 C ATOM 1000 C ARG A 63 9.110 12.527 -4.405 1.00 2.85 C ATOM 1001 O ARG A 63 10.006 13.153 -4.970 1.00 3.26 O ATOM 1002 CB ARG A 63 8.055 10.765 -5.818 1.00 3.11 C ATOM 1003 CG ARG A 63 8.169 9.352 -6.354 1.00 3.13 C ATOM 1004 CD ARG A 63 7.271 9.141 -7.559 1.00 3.11 C ATOM 1005 NE ARG A 63 7.445 7.816 -8.139 1.00 2.92 N ATOM 1006 CZ ARG A 63 8.350 7.536 -9.068 1.00 3.14 C ATOM 1007 NH1 ARG A 63 9.161 8.484 -9.518 1.00 3.60 N ATOM 1008 NH2 ARG A 63 8.447 6.306 -9.550 1.00 3.44 N ATOM 0 H ARG A 63 7.466 10.708 -3.169 1.00 2.16 H new ATOM 0 HA ARG A 63 9.936 10.600 -4.798 1.00 2.69 H new ATOM 0 HB2 ARG A 63 7.019 10.958 -5.540 1.00 3.11 H new ATOM 0 HB3 ARG A 63 8.309 11.468 -6.611 1.00 3.11 H new ATOM 0 HG2 ARG A 63 9.204 9.149 -6.630 1.00 3.13 H new ATOM 0 HG3 ARG A 63 7.902 8.642 -5.571 1.00 3.13 H new ATOM 0 HD2 ARG A 63 6.230 9.275 -7.264 1.00 3.11 H new ATOM 0 HD3 ARG A 63 7.489 9.899 -8.312 1.00 3.11 H new ATOM 0 HE ARG A 63 6.839 7.063 -7.813 1.00 2.92 H new ATOM 0 HH11 ARG A 63 9.090 9.433 -9.150 1.00 3.60 H new ATOM 0 HH12 ARG A 63 9.855 8.264 -10.232 1.00 3.60 H new ATOM 0 HH21 ARG A 63 7.826 5.573 -9.207 1.00 3.44 H new ATOM 0 HH22 ARG A 63 9.143 6.092 -10.264 1.00 3.44 H new ATOM 1022 N GLU A 64 8.233 13.096 -3.589 1.00 2.76 N ATOM 1023 CA GLU A 64 8.269 14.524 -3.306 1.00 3.00 C ATOM 1024 C GLU A 64 8.375 14.776 -1.807 1.00 3.08 C ATOM 1025 O GLU A 64 8.079 15.869 -1.330 1.00 3.72 O ATOM 1026 CB GLU A 64 7.014 15.196 -3.858 1.00 2.97 C ATOM 1027 CG GLU A 64 5.727 14.592 -3.324 1.00 3.43 C ATOM 1028 CD GLU A 64 4.494 15.217 -3.940 1.00 3.74 C ATOM 1029 OE1 GLU A 64 4.089 16.306 -3.485 1.00 4.07 O ATOM 1030 OE2 GLU A 64 3.933 14.617 -4.879 1.00 4.00 O ATOM 0 H GLU A 64 7.487 12.590 -3.111 1.00 2.76 H new ATOM 0 HA GLU A 64 9.148 14.949 -3.790 1.00 3.00 H new ATOM 0 HB2 GLU A 64 7.039 16.257 -3.611 1.00 2.97 H new ATOM 0 HB3 GLU A 64 7.019 15.122 -4.945 1.00 2.97 H new ATOM 0 HG2 GLU A 64 5.724 13.520 -3.521 1.00 3.43 H new ATOM 0 HG3 GLU A 64 5.692 14.718 -2.242 1.00 3.43 H new ATOM 1037 N LYS A 65 8.800 13.758 -1.072 1.00 2.73 N ATOM 1038 CA LYS A 65 8.935 13.870 0.373 1.00 2.95 C ATOM 1039 C LYS A 65 10.288 13.351 0.836 1.00 2.86 C ATOM 1040 O LYS A 65 11.113 14.107 1.345 1.00 3.37 O ATOM 1041 CB LYS A 65 7.819 13.092 1.063 1.00 3.11 C ATOM 1042 CG LYS A 65 7.634 13.453 2.524 1.00 3.54 C ATOM 1043 CD LYS A 65 7.078 14.856 2.681 1.00 3.77 C ATOM 1044 CE LYS A 65 6.751 15.164 4.130 1.00 3.79 C ATOM 1045 NZ LYS A 65 6.202 16.536 4.294 1.00 4.11 N ATOM 0 H LYS A 65 9.057 12.847 -1.452 1.00 2.73 H new ATOM 0 HA LYS A 65 8.861 14.924 0.641 1.00 2.95 H new ATOM 0 HB2 LYS A 65 6.883 13.270 0.533 1.00 3.11 H new ATOM 0 HB3 LYS A 65 8.031 12.026 0.986 1.00 3.11 H new ATOM 0 HG2 LYS A 65 6.959 12.738 2.995 1.00 3.54 H new ATOM 0 HG3 LYS A 65 8.590 13.378 3.043 1.00 3.54 H new ATOM 0 HD2 LYS A 65 7.803 15.580 2.308 1.00 3.77 H new ATOM 0 HD3 LYS A 65 6.180 14.963 2.073 1.00 3.77 H new ATOM 0 HE2 LYS A 65 6.029 14.437 4.502 1.00 3.79 H new ATOM 0 HE3 LYS A 65 7.651 15.058 4.736 1.00 3.79 H new ATOM 0 HZ1 LYS A 65 5.991 16.708 5.298 1.00 4.11 H new ATOM 0 HZ2 LYS A 65 6.901 17.231 3.963 1.00 4.11 H new ATOM 0 HZ3 LYS A 65 5.329 16.630 3.736 1.00 4.11 H new ATOM 1059 N LYS A 66 10.503 12.053 0.659 1.00 2.75 N ATOM 1060 CA LYS A 66 11.754 11.425 1.058 1.00 2.95 C ATOM 1061 C LYS A 66 12.943 12.107 0.390 1.00 3.53 C ATOM 1062 O LYS A 66 13.279 11.728 -0.750 1.00 3.96 O ATOM 1063 CB LYS A 66 11.737 9.942 0.694 1.00 2.95 C ATOM 1064 CG LYS A 66 12.986 9.198 1.133 1.00 3.03 C ATOM 1065 CD LYS A 66 13.061 7.816 0.505 1.00 3.31 C ATOM 1066 CE LYS A 66 13.305 7.895 -0.993 1.00 3.21 C ATOM 1067 NZ LYS A 66 13.350 6.547 -1.618 1.00 3.29 N ATOM 1068 OXT LYS A 66 13.529 13.014 1.015 1.00 4.01 O ATOM 0 H LYS A 66 9.826 11.415 0.241 1.00 2.75 H new ATOM 0 HA LYS A 66 11.857 11.530 2.138 1.00 2.95 H new ATOM 0 HB2 LYS A 66 10.865 9.474 1.150 1.00 2.95 H new ATOM 0 HB3 LYS A 66 11.624 9.842 -0.386 1.00 2.95 H new ATOM 0 HG2 LYS A 66 13.870 9.773 0.856 1.00 3.03 H new ATOM 0 HG3 LYS A 66 12.993 9.106 2.219 1.00 3.03 H new ATOM 0 HD2 LYS A 66 13.862 7.245 0.975 1.00 3.31 H new ATOM 0 HD3 LYS A 66 12.132 7.278 0.695 1.00 3.31 H new ATOM 0 HE2 LYS A 66 12.516 8.485 -1.459 1.00 3.21 H new ATOM 0 HE3 LYS A 66 14.245 8.414 -1.181 1.00 3.21 H new ATOM 0 HZ1 LYS A 66 13.518 6.644 -2.640 1.00 3.29 H new ATOM 0 HZ2 LYS A 66 14.119 5.992 -1.191 1.00 3.29 H new ATOM 0 HZ3 LYS A 66 12.444 6.061 -1.461 1.00 3.29 H new TER 1082 LYS A 66