USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=17 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 161:sc= -0.321! (180deg=-1.3!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 89:sc= 0.448 USER MOD Single : A 9 LYS NZ :NH3+ -153:sc= -1.47! (180deg=-3.02!) USER MOD Single : A 13 LYS NZ :NH3+ -133:sc= -3.18! (180deg=-6.45!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 142:sc= -0.206 (180deg=-3.28!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 155:sc= -0.0766 (180deg=-0.56) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 168:sc= -0.261 (180deg=-0.605) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.864 USER MOD Single : A 34 TYR OH : rot 88:sc= 0.378 USER MOD Single : A 37 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.02) USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= 0.687 (180deg=0.142) USER MOD Single : A 40 THR OG1 : rot 64:sc= 0.066 USER MOD Single : A 46 SER OG : rot 128:sc= 1.26 USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= -0.0722 (180deg=-0.348) USER MOD Single : A 52 LYS NZ :NH3+ 145:sc= 1.19 (180deg=-0.0243) 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 -1.408 -8.327 -6.282 1.00 4.12 N ATOM 2 CA MET A 1 -2.715 -8.121 -5.615 1.00 3.25 C ATOM 3 C MET A 1 -3.057 -6.642 -5.537 1.00 2.66 C ATOM 4 O MET A 1 -2.228 -5.821 -5.144 1.00 3.04 O ATOM 5 CB MET A 1 -2.719 -8.718 -4.203 1.00 3.39 C ATOM 6 CG MET A 1 -2.729 -10.237 -4.176 1.00 3.39 C ATOM 7 SD MET A 1 -2.956 -10.901 -2.517 1.00 4.40 S ATOM 8 CE MET A 1 -2.905 -12.660 -2.855 1.00 4.67 C ATOM 0 H1 MET A 1 -1.196 -9.344 -6.324 1.00 4.12 H new ATOM 0 H2 MET A 1 -1.446 -7.942 -7.247 1.00 4.12 H new ATOM 0 H3 MET A 1 -0.663 -7.840 -5.744 1.00 4.12 H new ATOM 0 HA MET A 1 -3.468 -8.632 -6.215 1.00 3.25 H new ATOM 0 HB2 MET A 1 -1.840 -8.361 -3.666 1.00 3.39 H new ATOM 0 HB3 MET A 1 -3.593 -8.349 -3.666 1.00 3.39 H new ATOM 0 HG2 MET A 1 -3.527 -10.603 -4.822 1.00 3.39 H new ATOM 0 HG3 MET A 1 -1.791 -10.610 -4.587 1.00 3.39 H new ATOM 0 HE1 MET A 1 -3.032 -13.213 -1.924 1.00 4.67 H new ATOM 0 HE2 MET A 1 -3.707 -12.921 -3.545 1.00 4.67 H new ATOM 0 HE3 MET A 1 -1.945 -12.917 -3.302 1.00 4.67 H new ATOM 20 N VAL A 2 -4.293 -6.318 -5.895 1.00 2.26 N ATOM 21 CA VAL A 2 -4.760 -4.937 -5.899 1.00 2.19 C ATOM 22 C VAL A 2 -5.369 -4.577 -4.531 1.00 1.63 C ATOM 23 O VAL A 2 -6.313 -3.795 -4.421 1.00 1.88 O ATOM 24 CB VAL A 2 -5.780 -4.714 -7.048 1.00 2.84 C ATOM 25 CG1 VAL A 2 -7.070 -5.491 -6.809 1.00 3.27 C ATOM 26 CG2 VAL A 2 -6.062 -3.231 -7.264 1.00 3.64 C ATOM 0 H VAL A 2 -4.995 -6.998 -6.188 1.00 2.26 H new ATOM 0 HA VAL A 2 -3.911 -4.276 -6.074 1.00 2.19 H new ATOM 0 HB VAL A 2 -5.328 -5.100 -7.961 1.00 2.84 H new ATOM 0 HG11 VAL A 2 -7.761 -5.311 -7.633 1.00 3.27 H new ATOM 0 HG12 VAL A 2 -6.847 -6.556 -6.748 1.00 3.27 H new ATOM 0 HG13 VAL A 2 -7.525 -5.162 -5.875 1.00 3.27 H new ATOM 0 HG21 VAL A 2 -6.780 -3.112 -8.075 1.00 3.64 H new ATOM 0 HG22 VAL A 2 -6.473 -2.802 -6.350 1.00 3.64 H new ATOM 0 HG23 VAL A 2 -5.135 -2.718 -7.521 1.00 3.64 H new ATOM 36 N LYS A 3 -4.797 -5.153 -3.487 1.00 1.32 N ATOM 37 CA LYS A 3 -5.273 -4.934 -2.130 1.00 1.00 C ATOM 38 C LYS A 3 -4.097 -4.942 -1.160 1.00 1.03 C ATOM 39 O LYS A 3 -2.942 -4.898 -1.582 1.00 1.56 O ATOM 40 CB LYS A 3 -6.285 -6.015 -1.743 1.00 1.17 C ATOM 41 CG LYS A 3 -5.688 -7.405 -1.628 1.00 1.44 C ATOM 42 CD LYS A 3 -6.747 -8.417 -1.229 1.00 1.73 C ATOM 43 CE LYS A 3 -6.146 -9.779 -0.920 1.00 2.34 C ATOM 44 NZ LYS A 3 -7.191 -10.777 -0.570 1.00 3.09 N ATOM 0 H LYS A 3 -3.996 -5.781 -3.554 1.00 1.32 H new ATOM 0 HA LYS A 3 -5.766 -3.963 -2.081 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -6.742 -5.747 -0.790 1.00 1.17 H new ATOM 0 HB3 LYS A 3 -7.083 -6.034 -2.485 1.00 1.17 H new ATOM 0 HG2 LYS A 3 -5.243 -7.694 -2.580 1.00 1.44 H new ATOM 0 HG3 LYS A 3 -4.886 -7.401 -0.890 1.00 1.44 H new ATOM 0 HD2 LYS A 3 -7.286 -8.052 -0.355 1.00 1.73 H new ATOM 0 HD3 LYS A 3 -7.475 -8.516 -2.034 1.00 1.73 H new ATOM 0 HE2 LYS A 3 -5.581 -10.131 -1.783 1.00 2.34 H new ATOM 0 HE3 LYS A 3 -5.441 -9.686 -0.094 1.00 2.34 H new ATOM 0 HZ1 LYS A 3 -6.742 -11.693 -0.366 1.00 3.09 H new ATOM 0 HZ2 LYS A 3 -7.713 -10.453 0.269 1.00 3.09 H new ATOM 0 HZ3 LYS A 3 -7.850 -10.884 -1.368 1.00 3.09 H new ATOM 58 N VAL A 4 -4.390 -5.022 0.132 1.00 0.84 N ATOM 59 CA VAL A 4 -3.355 -5.028 1.156 1.00 0.90 C ATOM 60 C VAL A 4 -3.519 -6.250 2.059 1.00 0.82 C ATOM 61 O VAL A 4 -4.533 -6.393 2.741 1.00 0.85 O ATOM 62 CB VAL A 4 -3.400 -3.747 2.021 1.00 1.06 C ATOM 63 CG1 VAL A 4 -2.328 -3.782 3.100 1.00 1.46 C ATOM 64 CG2 VAL A 4 -3.244 -2.503 1.158 1.00 1.31 C ATOM 0 H VAL A 4 -5.341 -5.084 0.496 1.00 0.84 H new ATOM 0 HA VAL A 4 -2.391 -5.065 0.648 1.00 0.90 H new ATOM 0 HB VAL A 4 -4.375 -3.707 2.507 1.00 1.06 H new ATOM 0 HG11 VAL A 4 -2.380 -2.870 3.695 1.00 1.46 H new ATOM 0 HG12 VAL A 4 -2.489 -4.646 3.745 1.00 1.46 H new ATOM 0 HG13 VAL A 4 -1.345 -3.855 2.634 1.00 1.46 H new ATOM 0 HG21 VAL A 4 -3.279 -1.615 1.790 1.00 1.31 H new ATOM 0 HG22 VAL A 4 -2.288 -2.540 0.636 1.00 1.31 H new ATOM 0 HG23 VAL A 4 -4.054 -2.462 0.429 1.00 1.31 H new ATOM 74 N LYS A 5 -2.523 -7.128 2.038 1.00 0.79 N ATOM 75 CA LYS A 5 -2.541 -8.336 2.861 1.00 0.77 C ATOM 76 C LYS A 5 -1.444 -8.289 3.925 1.00 0.78 C ATOM 77 O LYS A 5 -0.680 -9.242 4.093 1.00 1.45 O ATOM 78 CB LYS A 5 -2.389 -9.590 1.989 1.00 0.93 C ATOM 79 CG LYS A 5 -1.162 -9.581 1.087 1.00 1.38 C ATOM 80 CD LYS A 5 -0.989 -10.899 0.340 1.00 1.91 C ATOM 81 CE LYS A 5 -0.263 -11.954 1.170 1.00 2.43 C ATOM 82 NZ LYS A 5 -0.998 -12.325 2.409 1.00 2.70 N ATOM 0 H LYS A 5 -1.689 -7.027 1.459 1.00 0.79 H new ATOM 0 HA LYS A 5 -3.505 -8.383 3.367 1.00 0.77 H new ATOM 0 HB2 LYS A 5 -2.343 -10.465 2.637 1.00 0.93 H new ATOM 0 HB3 LYS A 5 -3.280 -9.698 1.370 1.00 0.93 H new ATOM 0 HG2 LYS A 5 -1.247 -8.766 0.368 1.00 1.38 H new ATOM 0 HG3 LYS A 5 -0.273 -9.385 1.687 1.00 1.38 H new ATOM 0 HD2 LYS A 5 -1.969 -11.280 0.052 1.00 1.91 H new ATOM 0 HD3 LYS A 5 -0.433 -10.720 -0.580 1.00 1.91 H new ATOM 0 HE2 LYS A 5 -0.113 -12.846 0.562 1.00 2.43 H new ATOM 0 HE3 LYS A 5 0.725 -11.581 1.438 1.00 2.43 H new ATOM 0 HZ1 LYS A 5 -0.649 -13.240 2.759 1.00 2.70 H new ATOM 0 HZ2 LYS A 5 -0.845 -11.596 3.135 1.00 2.70 H new ATOM 0 HZ3 LYS A 5 -2.014 -12.399 2.201 1.00 2.70 H new ATOM 96 N PHE A 6 -1.359 -7.152 4.607 1.00 0.58 N ATOM 97 CA PHE A 6 -0.428 -6.952 5.721 1.00 0.57 C ATOM 98 C PHE A 6 -0.606 -8.002 6.825 1.00 0.58 C ATOM 99 O PHE A 6 -1.525 -8.817 6.803 1.00 0.85 O ATOM 100 CB PHE A 6 -0.637 -5.551 6.311 1.00 0.59 C ATOM 101 CG PHE A 6 -1.938 -5.379 7.058 1.00 0.58 C ATOM 102 CD1 PHE A 6 -3.158 -5.545 6.423 1.00 0.60 C ATOM 103 CD2 PHE A 6 -1.932 -5.049 8.402 1.00 0.65 C ATOM 104 CE1 PHE A 6 -4.344 -5.385 7.114 1.00 0.65 C ATOM 105 CE2 PHE A 6 -3.114 -4.886 9.098 1.00 0.70 C ATOM 106 CZ PHE A 6 -4.323 -5.057 8.454 1.00 0.67 C ATOM 0 H PHE A 6 -1.936 -6.336 4.404 1.00 0.58 H new ATOM 0 HA PHE A 6 0.584 -7.057 5.329 1.00 0.57 H new ATOM 0 HB2 PHE A 6 0.189 -5.327 6.987 1.00 0.59 H new ATOM 0 HB3 PHE A 6 -0.596 -4.820 5.504 1.00 0.59 H new ATOM 0 HD1 PHE A 6 -3.183 -5.803 5.374 1.00 0.60 H new ATOM 0 HD2 PHE A 6 -0.990 -4.917 8.914 1.00 0.65 H new ATOM 0 HE1 PHE A 6 -5.287 -5.517 6.605 1.00 0.65 H new ATOM 0 HE2 PHE A 6 -3.092 -4.625 10.146 1.00 0.70 H new ATOM 0 HZ PHE A 6 -5.249 -4.935 8.997 1.00 0.67 H new ATOM 116 N LYS A 7 0.283 -7.959 7.797 1.00 0.53 N ATOM 117 CA LYS A 7 0.244 -8.892 8.905 1.00 0.57 C ATOM 118 C LYS A 7 -0.411 -8.230 10.113 1.00 0.59 C ATOM 119 O LYS A 7 0.050 -7.186 10.578 1.00 0.63 O ATOM 120 CB LYS A 7 1.667 -9.341 9.235 1.00 0.70 C ATOM 121 CG LYS A 7 1.762 -10.367 10.351 1.00 1.34 C ATOM 122 CD LYS A 7 3.205 -10.789 10.586 1.00 1.71 C ATOM 123 CE LYS A 7 4.073 -9.602 10.972 1.00 2.66 C ATOM 124 NZ LYS A 7 5.511 -9.967 11.054 1.00 3.64 N ATOM 0 H LYS A 7 1.046 -7.283 7.842 1.00 0.53 H new ATOM 0 HA LYS A 7 -0.346 -9.767 8.633 1.00 0.57 H new ATOM 0 HB2 LYS A 7 2.120 -9.758 8.336 1.00 0.70 H new ATOM 0 HB3 LYS A 7 2.255 -8.466 9.512 1.00 0.70 H new ATOM 0 HG2 LYS A 7 1.348 -9.950 11.269 1.00 1.34 H new ATOM 0 HG3 LYS A 7 1.161 -11.240 10.098 1.00 1.34 H new ATOM 0 HD2 LYS A 7 3.242 -11.541 11.374 1.00 1.71 H new ATOM 0 HD3 LYS A 7 3.602 -11.254 9.683 1.00 1.71 H new ATOM 0 HE2 LYS A 7 3.943 -8.804 10.241 1.00 2.66 H new ATOM 0 HE3 LYS A 7 3.743 -9.209 11.934 1.00 2.66 H new ATOM 0 HZ1 LYS A 7 6.067 -9.129 11.320 1.00 3.64 H new ATOM 0 HZ2 LYS A 7 5.640 -10.710 11.770 1.00 3.64 H new ATOM 0 HZ3 LYS A 7 5.833 -10.318 10.129 1.00 3.64 H new ATOM 138 N TYR A 8 -1.476 -8.833 10.623 1.00 0.61 N ATOM 139 CA TYR A 8 -2.193 -8.271 11.755 1.00 0.67 C ATOM 140 C TYR A 8 -2.444 -9.366 12.791 1.00 0.85 C ATOM 141 O TYR A 8 -3.013 -10.413 12.464 1.00 0.86 O ATOM 142 CB TYR A 8 -3.509 -7.653 11.274 1.00 0.63 C ATOM 143 CG TYR A 8 -4.085 -6.605 12.198 1.00 0.71 C ATOM 144 CD1 TYR A 8 -3.290 -5.585 12.706 1.00 0.88 C ATOM 145 CD2 TYR A 8 -5.425 -6.632 12.560 1.00 0.82 C ATOM 146 CE1 TYR A 8 -3.816 -4.621 13.543 1.00 1.03 C ATOM 147 CE2 TYR A 8 -5.958 -5.670 13.396 1.00 0.97 C ATOM 148 CZ TYR A 8 -5.148 -4.670 13.886 1.00 1.03 C ATOM 149 OH TYR A 8 -5.673 -3.712 14.720 1.00 1.23 O ATOM 0 H TYR A 8 -1.861 -9.709 10.270 1.00 0.61 H new ATOM 0 HA TYR A 8 -1.598 -7.486 12.221 1.00 0.67 H new ATOM 0 HB2 TYR A 8 -3.348 -7.205 10.293 1.00 0.63 H new ATOM 0 HB3 TYR A 8 -4.243 -8.448 11.145 1.00 0.63 H new ATOM 0 HD1 TYR A 8 -2.244 -5.546 12.442 1.00 0.88 H new ATOM 0 HD2 TYR A 8 -6.061 -7.418 12.182 1.00 0.82 H new ATOM 0 HE1 TYR A 8 -3.185 -3.833 13.927 1.00 1.03 H new ATOM 0 HE2 TYR A 8 -7.004 -5.702 13.664 1.00 0.97 H new ATOM 0 HH TYR A 8 -5.993 -2.954 14.187 1.00 1.23 H new ATOM 159 N LYS A 9 -1.994 -9.123 14.030 1.00 1.11 N ATOM 160 CA LYS A 9 -2.019 -10.107 15.130 1.00 1.36 C ATOM 161 C LYS A 9 -0.938 -11.169 14.944 1.00 1.30 C ATOM 162 O LYS A 9 -0.856 -12.128 15.714 1.00 1.73 O ATOM 163 CB LYS A 9 -3.381 -10.793 15.311 1.00 1.70 C ATOM 164 CG LYS A 9 -4.473 -9.899 15.879 1.00 1.73 C ATOM 165 CD LYS A 9 -5.220 -9.145 14.790 1.00 2.19 C ATOM 166 CE LYS A 9 -6.246 -10.023 14.072 1.00 2.65 C ATOM 167 NZ LYS A 9 -5.626 -11.157 13.330 1.00 2.90 N ATOM 0 H LYS A 9 -1.596 -8.225 14.304 1.00 1.11 H new ATOM 0 HA LYS A 9 -1.823 -9.532 16.035 1.00 1.36 H new ATOM 0 HB2 LYS A 9 -3.710 -11.177 14.345 1.00 1.70 H new ATOM 0 HB3 LYS A 9 -3.255 -11.652 15.969 1.00 1.70 H new ATOM 0 HG2 LYS A 9 -5.178 -10.505 16.448 1.00 1.73 H new ATOM 0 HG3 LYS A 9 -4.031 -9.186 16.575 1.00 1.73 H new ATOM 0 HD2 LYS A 9 -5.726 -8.285 15.229 1.00 2.19 H new ATOM 0 HD3 LYS A 9 -4.505 -8.758 14.064 1.00 2.19 H new ATOM 0 HE2 LYS A 9 -6.953 -10.417 14.802 1.00 2.65 H new ATOM 0 HE3 LYS A 9 -6.817 -9.409 13.375 1.00 2.65 H new ATOM 0 HZ1 LYS A 9 -6.238 -11.427 12.534 1.00 2.90 H new ATOM 0 HZ2 LYS A 9 -4.695 -10.867 12.968 1.00 2.90 H new ATOM 0 HZ3 LYS A 9 -5.511 -11.969 13.970 1.00 2.90 H new ATOM 181 N GLY A 10 -0.113 -10.996 13.920 1.00 1.10 N ATOM 182 CA GLY A 10 0.957 -11.941 13.661 1.00 1.12 C ATOM 183 C GLY A 10 0.565 -12.956 12.611 1.00 0.98 C ATOM 184 O GLY A 10 1.258 -13.950 12.401 1.00 1.11 O ATOM 0 H GLY A 10 -0.165 -10.217 13.263 1.00 1.10 H new ATOM 0 HA2 GLY A 10 1.846 -11.403 13.333 1.00 1.12 H new ATOM 0 HA3 GLY A 10 1.219 -12.456 14.585 1.00 1.12 H new ATOM 188 N GLU A 11 -0.544 -12.688 11.945 1.00 0.95 N ATOM 189 CA GLU A 11 -1.076 -13.582 10.931 1.00 1.20 C ATOM 190 C GLU A 11 -1.397 -12.760 9.690 1.00 1.00 C ATOM 191 O GLU A 11 -1.466 -11.531 9.767 1.00 1.38 O ATOM 192 CB GLU A 11 -2.327 -14.279 11.485 1.00 1.69 C ATOM 193 CG GLU A 11 -2.535 -15.703 10.982 1.00 2.37 C ATOM 194 CD GLU A 11 -3.286 -15.780 9.669 1.00 3.21 C ATOM 195 OE1 GLU A 11 -4.538 -15.746 9.697 1.00 3.81 O ATOM 196 OE2 GLU A 11 -2.633 -15.893 8.610 1.00 3.60 O ATOM 0 H GLU A 11 -1.101 -11.846 12.091 1.00 0.95 H new ATOM 0 HA GLU A 11 -0.352 -14.352 10.663 1.00 1.20 H new ATOM 0 HB2 GLU A 11 -2.265 -14.297 12.573 1.00 1.69 H new ATOM 0 HB3 GLU A 11 -3.203 -13.684 11.226 1.00 1.69 H new ATOM 0 HG2 GLU A 11 -1.563 -16.183 10.864 1.00 2.37 H new ATOM 0 HG3 GLU A 11 -3.081 -16.270 11.737 1.00 2.37 H new ATOM 203 N GLU A 12 -1.592 -13.419 8.559 1.00 0.98 N ATOM 204 CA GLU A 12 -1.846 -12.717 7.313 1.00 0.87 C ATOM 205 C GLU A 12 -3.278 -12.226 7.286 1.00 0.79 C ATOM 206 O GLU A 12 -4.220 -13.014 7.346 1.00 0.89 O ATOM 207 CB GLU A 12 -1.594 -13.627 6.110 1.00 1.13 C ATOM 208 CG GLU A 12 -0.144 -14.043 5.942 1.00 1.80 C ATOM 209 CD GLU A 12 0.048 -14.957 4.755 1.00 2.11 C ATOM 210 OE1 GLU A 12 0.159 -14.450 3.619 1.00 2.43 O ATOM 211 OE2 GLU A 12 0.087 -16.187 4.954 1.00 2.30 O ATOM 0 H GLU A 12 -1.579 -14.436 8.479 1.00 0.98 H new ATOM 0 HA GLU A 12 -1.164 -11.869 7.253 1.00 0.87 H new ATOM 0 HB2 GLU A 12 -2.209 -14.522 6.210 1.00 1.13 H new ATOM 0 HB3 GLU A 12 -1.921 -13.115 5.205 1.00 1.13 H new ATOM 0 HG2 GLU A 12 0.476 -13.155 5.820 1.00 1.80 H new ATOM 0 HG3 GLU A 12 0.196 -14.547 6.847 1.00 1.80 H new ATOM 218 N LYS A 13 -3.435 -10.921 7.232 1.00 0.71 N ATOM 219 CA LYS A 13 -4.739 -10.316 7.267 1.00 0.75 C ATOM 220 C LYS A 13 -4.904 -9.363 6.088 1.00 0.73 C ATOM 221 O LYS A 13 -3.930 -8.804 5.599 1.00 1.21 O ATOM 222 CB LYS A 13 -4.915 -9.602 8.604 1.00 0.96 C ATOM 223 CG LYS A 13 -6.308 -9.069 8.844 1.00 0.86 C ATOM 224 CD LYS A 13 -7.322 -10.157 9.221 1.00 1.44 C ATOM 225 CE LYS A 13 -7.812 -10.978 8.029 1.00 2.02 C ATOM 226 NZ LYS A 13 -6.992 -12.199 7.782 1.00 2.73 N ATOM 0 H LYS A 13 -2.664 -10.257 7.163 1.00 0.71 H new ATOM 0 HA LYS A 13 -5.513 -11.078 7.178 1.00 0.75 H new ATOM 0 HB2 LYS A 13 -4.659 -10.292 9.408 1.00 0.96 H new ATOM 0 HB3 LYS A 13 -4.208 -8.774 8.657 1.00 0.96 H new ATOM 0 HG2 LYS A 13 -6.272 -8.325 9.640 1.00 0.86 H new ATOM 0 HG3 LYS A 13 -6.653 -8.558 7.945 1.00 0.86 H new ATOM 0 HD2 LYS A 13 -6.868 -10.827 9.951 1.00 1.44 H new ATOM 0 HD3 LYS A 13 -8.179 -9.690 9.707 1.00 1.44 H new ATOM 0 HE2 LYS A 13 -8.848 -11.272 8.199 1.00 2.02 H new ATOM 0 HE3 LYS A 13 -7.800 -10.353 7.136 1.00 2.02 H new ATOM 0 HZ1 LYS A 13 -6.763 -12.264 6.770 1.00 2.73 H new ATOM 0 HZ2 LYS A 13 -6.112 -12.144 8.334 1.00 2.73 H new ATOM 0 HZ3 LYS A 13 -7.529 -13.042 8.070 1.00 2.73 H new ATOM 240 N GLU A 14 -6.132 -9.172 5.636 1.00 0.55 N ATOM 241 CA GLU A 14 -6.375 -8.416 4.423 1.00 0.54 C ATOM 242 C GLU A 14 -7.365 -7.298 4.704 1.00 0.65 C ATOM 243 O GLU A 14 -8.044 -7.297 5.737 1.00 0.88 O ATOM 244 CB GLU A 14 -6.924 -9.319 3.307 1.00 0.60 C ATOM 245 CG GLU A 14 -6.211 -10.661 3.160 1.00 1.38 C ATOM 246 CD GLU A 14 -6.788 -11.736 4.066 1.00 1.90 C ATOM 247 OE1 GLU A 14 -7.913 -12.207 3.807 1.00 2.39 O ATOM 248 OE2 GLU A 14 -6.110 -12.114 5.047 1.00 2.38 O ATOM 0 H GLU A 14 -6.972 -9.529 6.090 1.00 0.55 H new ATOM 0 HA GLU A 14 -5.426 -7.995 4.090 1.00 0.54 H new ATOM 0 HB2 GLU A 14 -7.981 -9.504 3.496 1.00 0.60 H new ATOM 0 HB3 GLU A 14 -6.858 -8.783 2.360 1.00 0.60 H new ATOM 0 HG2 GLU A 14 -6.278 -10.991 2.123 1.00 1.38 H new ATOM 0 HG3 GLU A 14 -5.152 -10.532 3.386 1.00 1.38 H new ATOM 255 N VAL A 15 -7.437 -6.346 3.795 1.00 0.68 N ATOM 256 CA VAL A 15 -8.385 -5.254 3.910 1.00 0.82 C ATOM 257 C VAL A 15 -9.134 -5.052 2.602 1.00 0.72 C ATOM 258 O VAL A 15 -8.581 -5.240 1.514 1.00 1.19 O ATOM 259 CB VAL A 15 -7.706 -3.926 4.312 1.00 1.20 C ATOM 260 CG1 VAL A 15 -7.222 -3.973 5.754 1.00 1.53 C ATOM 261 CG2 VAL A 15 -6.557 -3.593 3.374 1.00 2.11 C ATOM 0 H VAL A 15 -6.847 -6.306 2.964 1.00 0.68 H new ATOM 0 HA VAL A 15 -9.083 -5.533 4.699 1.00 0.82 H new ATOM 0 HB VAL A 15 -8.452 -3.136 4.229 1.00 1.20 H new ATOM 0 HG11 VAL A 15 -6.748 -3.025 6.010 1.00 1.53 H new ATOM 0 HG12 VAL A 15 -8.070 -4.145 6.417 1.00 1.53 H new ATOM 0 HG13 VAL A 15 -6.501 -4.782 5.870 1.00 1.53 H new ATOM 0 HG21 VAL A 15 -6.098 -2.653 3.681 1.00 2.11 H new ATOM 0 HG22 VAL A 15 -5.814 -4.390 3.412 1.00 2.11 H new ATOM 0 HG23 VAL A 15 -6.935 -3.497 2.356 1.00 2.11 H new ATOM 271 N ASP A 16 -10.401 -4.672 2.736 1.00 0.76 N ATOM 272 CA ASP A 16 -11.276 -4.371 1.596 1.00 0.98 C ATOM 273 C ASP A 16 -10.739 -3.217 0.742 1.00 0.91 C ATOM 274 O ASP A 16 -11.321 -2.867 -0.284 1.00 1.57 O ATOM 275 CB ASP A 16 -12.674 -4.029 2.136 1.00 1.33 C ATOM 276 CG ASP A 16 -13.702 -3.760 1.052 1.00 1.87 C ATOM 277 OD1 ASP A 16 -14.252 -4.731 0.491 1.00 2.08 O ATOM 278 OD2 ASP A 16 -13.989 -2.574 0.780 1.00 2.64 O ATOM 0 H ASP A 16 -10.857 -4.562 3.642 1.00 0.76 H new ATOM 0 HA ASP A 16 -11.318 -5.246 0.948 1.00 0.98 H new ATOM 0 HB2 ASP A 16 -13.024 -4.852 2.759 1.00 1.33 H new ATOM 0 HB3 ASP A 16 -12.600 -3.152 2.779 1.00 1.33 H new ATOM 283 N THR A 17 -9.617 -2.637 1.169 1.00 0.98 N ATOM 284 CA THR A 17 -8.878 -1.657 0.380 1.00 0.92 C ATOM 285 C THR A 17 -9.506 -0.267 0.456 1.00 0.85 C ATOM 286 O THR A 17 -8.803 0.715 0.677 1.00 1.17 O ATOM 287 CB THR A 17 -8.733 -2.098 -1.092 1.00 1.36 C ATOM 288 OG1 THR A 17 -8.262 -3.453 -1.137 1.00 1.66 O ATOM 289 CG2 THR A 17 -7.760 -1.197 -1.843 1.00 1.86 C ATOM 0 H THR A 17 -9.195 -2.836 2.076 1.00 0.98 H new ATOM 0 HA THR A 17 -7.882 -1.600 0.819 1.00 0.92 H new ATOM 0 HB THR A 17 -9.709 -2.023 -1.572 1.00 1.36 H new ATOM 0 HG1 THR A 17 -8.171 -3.737 -2.071 1.00 1.66 H new ATOM 0 HG21 THR A 17 -7.678 -1.532 -2.877 1.00 1.86 H new ATOM 0 HG22 THR A 17 -8.125 -0.170 -1.822 1.00 1.86 H new ATOM 0 HG23 THR A 17 -6.780 -1.244 -1.368 1.00 1.86 H new ATOM 297 N SER A 18 -10.825 -0.188 0.319 1.00 0.73 N ATOM 298 CA SER A 18 -11.530 1.090 0.344 1.00 0.86 C ATOM 299 C SER A 18 -11.514 1.727 1.738 1.00 0.82 C ATOM 300 O SER A 18 -12.005 2.838 1.926 1.00 1.13 O ATOM 301 CB SER A 18 -12.972 0.877 -0.113 1.00 1.16 C ATOM 302 OG SER A 18 -13.014 0.051 -1.266 1.00 1.81 O ATOM 0 H SER A 18 -11.431 -0.998 0.189 1.00 0.73 H new ATOM 0 HA SER A 18 -11.016 1.773 -0.332 1.00 0.86 H new ATOM 0 HB2 SER A 18 -13.550 0.419 0.690 1.00 1.16 H new ATOM 0 HB3 SER A 18 -13.436 1.839 -0.331 1.00 1.16 H new ATOM 0 HG SER A 18 -13.945 -0.076 -1.544 1.00 1.81 H new ATOM 308 N LYS A 19 -10.951 1.026 2.714 1.00 0.68 N ATOM 309 CA LYS A 19 -10.808 1.584 4.050 1.00 0.75 C ATOM 310 C LYS A 19 -9.460 2.276 4.194 1.00 0.68 C ATOM 311 O LYS A 19 -9.256 3.058 5.116 1.00 1.06 O ATOM 312 CB LYS A 19 -10.962 0.503 5.121 1.00 0.99 C ATOM 313 CG LYS A 19 -12.282 -0.253 5.043 1.00 1.25 C ATOM 314 CD LYS A 19 -13.496 0.676 5.072 1.00 1.92 C ATOM 315 CE LYS A 19 -13.714 1.331 6.434 1.00 2.22 C ATOM 316 NZ LYS A 19 -12.790 2.472 6.684 1.00 3.07 N ATOM 0 H LYS A 19 -10.589 0.078 2.606 1.00 0.68 H new ATOM 0 HA LYS A 19 -11.601 2.318 4.193 1.00 0.75 H new ATOM 0 HB2 LYS A 19 -10.141 -0.207 5.028 1.00 0.99 H new ATOM 0 HB3 LYS A 19 -10.875 0.964 6.105 1.00 0.99 H new ATOM 0 HG2 LYS A 19 -12.304 -0.844 4.128 1.00 1.25 H new ATOM 0 HG3 LYS A 19 -12.345 -0.953 5.876 1.00 1.25 H new ATOM 0 HD2 LYS A 19 -13.370 1.453 4.318 1.00 1.92 H new ATOM 0 HD3 LYS A 19 -14.387 0.109 4.801 1.00 1.92 H new ATOM 0 HE2 LYS A 19 -14.744 1.682 6.502 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -13.580 0.584 7.216 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -13.298 3.226 7.190 1.00 3.07 H new ATOM 0 HZ2 LYS A 19 -11.987 2.149 7.261 1.00 3.07 H new ATOM 0 HZ3 LYS A 19 -12.439 2.840 5.777 1.00 3.07 H new ATOM 330 N ILE A 20 -8.535 1.956 3.294 1.00 0.74 N ATOM 331 CA ILE A 20 -7.241 2.631 3.260 1.00 0.71 C ATOM 332 C ILE A 20 -7.412 4.104 2.898 1.00 0.78 C ATOM 333 O ILE A 20 -7.555 4.473 1.732 1.00 1.22 O ATOM 334 CB ILE A 20 -6.274 1.971 2.247 1.00 1.02 C ATOM 335 CG1 ILE A 20 -6.110 0.476 2.549 1.00 1.33 C ATOM 336 CG2 ILE A 20 -4.919 2.672 2.260 1.00 1.79 C ATOM 337 CD1 ILE A 20 -5.511 0.184 3.909 1.00 1.72 C ATOM 0 H ILE A 20 -8.656 1.237 2.581 1.00 0.74 H new ATOM 0 HA ILE A 20 -6.811 2.543 4.258 1.00 0.71 H new ATOM 0 HB ILE A 20 -6.703 2.074 1.250 1.00 1.02 H new ATOM 0 HG12 ILE A 20 -7.085 -0.007 2.482 1.00 1.33 H new ATOM 0 HG13 ILE A 20 -5.479 0.028 1.782 1.00 1.33 H new ATOM 0 HG21 ILE A 20 -4.254 2.193 1.541 1.00 1.79 H new ATOM 0 HG22 ILE A 20 -5.049 3.720 1.991 1.00 1.79 H new ATOM 0 HG23 ILE A 20 -4.484 2.605 3.257 1.00 1.79 H new ATOM 0 HD11 ILE A 20 -5.428 -0.894 4.046 1.00 1.72 H new ATOM 0 HD12 ILE A 20 -4.521 0.636 3.975 1.00 1.72 H new ATOM 0 HD13 ILE A 20 -6.152 0.600 4.686 1.00 1.72 H new ATOM 349 N LYS A 21 -7.415 4.924 3.938 1.00 0.62 N ATOM 350 CA LYS A 21 -7.582 6.361 3.793 1.00 0.88 C ATOM 351 C LYS A 21 -6.233 7.045 3.620 1.00 0.78 C ATOM 352 O LYS A 21 -6.089 7.944 2.788 1.00 1.17 O ATOM 353 CB LYS A 21 -8.292 6.925 5.027 1.00 1.13 C ATOM 354 CG LYS A 21 -9.588 6.207 5.373 1.00 1.52 C ATOM 355 CD LYS A 21 -10.172 6.715 6.681 1.00 1.92 C ATOM 356 CE LYS A 21 -11.421 5.942 7.077 1.00 2.23 C ATOM 357 NZ LYS A 21 -11.990 6.419 8.365 1.00 2.46 N ATOM 0 H LYS A 21 -7.302 4.613 4.903 1.00 0.62 H new ATOM 0 HA LYS A 21 -8.184 6.552 2.905 1.00 0.88 H new ATOM 0 HB2 LYS A 21 -7.617 6.867 5.881 1.00 1.13 H new ATOM 0 HB3 LYS A 21 -8.506 7.981 4.860 1.00 1.13 H new ATOM 0 HG2 LYS A 21 -10.311 6.351 4.570 1.00 1.52 H new ATOM 0 HG3 LYS A 21 -9.403 5.135 5.447 1.00 1.52 H new ATOM 0 HD2 LYS A 21 -9.425 6.629 7.471 1.00 1.92 H new ATOM 0 HD3 LYS A 21 -10.414 7.773 6.585 1.00 1.92 H new ATOM 0 HE2 LYS A 21 -12.171 6.039 6.292 1.00 2.23 H new ATOM 0 HE3 LYS A 21 -11.180 4.882 7.158 1.00 2.23 H new ATOM 0 HZ1 LYS A 21 -12.839 5.865 8.596 1.00 2.46 H new ATOM 0 HZ2 LYS A 21 -11.285 6.303 9.120 1.00 2.46 H new ATOM 0 HZ3 LYS A 21 -12.245 7.424 8.281 1.00 2.46 H new ATOM 371 N LYS A 22 -5.243 6.619 4.391 1.00 0.67 N ATOM 372 CA LYS A 22 -3.920 7.208 4.293 1.00 0.70 C ATOM 373 C LYS A 22 -2.844 6.141 4.460 1.00 0.51 C ATOM 374 O LYS A 22 -3.021 5.175 5.201 1.00 0.50 O ATOM 375 CB LYS A 22 -3.751 8.305 5.348 1.00 1.07 C ATOM 376 CG LYS A 22 -2.718 9.352 4.971 1.00 1.44 C ATOM 377 CD LYS A 22 -2.634 10.462 6.007 1.00 2.03 C ATOM 378 CE LYS A 22 -1.999 11.714 5.424 1.00 2.77 C ATOM 379 NZ LYS A 22 -2.851 12.320 4.363 1.00 3.08 N ATOM 0 H LYS A 22 -5.331 5.875 5.084 1.00 0.67 H new ATOM 0 HA LYS A 22 -3.811 7.653 3.304 1.00 0.70 H new ATOM 0 HB2 LYS A 22 -4.711 8.795 5.509 1.00 1.07 H new ATOM 0 HB3 LYS A 22 -3.464 7.847 6.295 1.00 1.07 H new ATOM 0 HG2 LYS A 22 -1.742 8.878 4.866 1.00 1.44 H new ATOM 0 HG3 LYS A 22 -2.971 9.779 4.001 1.00 1.44 H new ATOM 0 HD2 LYS A 22 -3.633 10.696 6.375 1.00 2.03 H new ATOM 0 HD3 LYS A 22 -2.051 10.121 6.863 1.00 2.03 H new ATOM 0 HE2 LYS A 22 -1.834 12.442 6.218 1.00 2.77 H new ATOM 0 HE3 LYS A 22 -1.022 11.467 5.009 1.00 2.77 H new ATOM 0 HZ1 LYS A 22 -2.640 13.336 4.286 1.00 3.08 H new ATOM 0 HZ2 LYS A 22 -2.655 11.856 3.453 1.00 3.08 H new ATOM 0 HZ3 LYS A 22 -3.854 12.192 4.608 1.00 3.08 H new ATOM 393 N VAL A 23 -1.732 6.317 3.770 1.00 0.49 N ATOM 394 CA VAL A 23 -0.620 5.390 3.862 1.00 0.49 C ATOM 395 C VAL A 23 0.645 6.159 4.214 1.00 0.51 C ATOM 396 O VAL A 23 0.819 7.303 3.788 1.00 0.63 O ATOM 397 CB VAL A 23 -0.423 4.610 2.543 1.00 0.64 C ATOM 398 CG1 VAL A 23 -0.026 5.546 1.409 1.00 1.56 C ATOM 399 CG2 VAL A 23 0.602 3.501 2.721 1.00 1.29 C ATOM 0 H VAL A 23 -1.575 7.100 3.135 1.00 0.49 H new ATOM 0 HA VAL A 23 -0.839 4.662 4.643 1.00 0.49 H new ATOM 0 HB VAL A 23 -1.375 4.150 2.276 1.00 0.64 H new ATOM 0 HG11 VAL A 23 0.106 4.971 0.492 1.00 1.56 H new ATOM 0 HG12 VAL A 23 -0.808 6.290 1.261 1.00 1.56 H new ATOM 0 HG13 VAL A 23 0.909 6.047 1.661 1.00 1.56 H new ATOM 0 HG21 VAL A 23 0.725 2.965 1.780 1.00 1.29 H new ATOM 0 HG22 VAL A 23 1.557 3.933 3.020 1.00 1.29 H new ATOM 0 HG23 VAL A 23 0.260 2.809 3.491 1.00 1.29 H new ATOM 409 N ALA A 24 1.511 5.553 5.012 1.00 0.45 N ATOM 410 CA ALA A 24 2.702 6.237 5.477 1.00 0.51 C ATOM 411 C ALA A 24 3.865 5.278 5.676 1.00 0.46 C ATOM 412 O ALA A 24 3.698 4.156 6.163 1.00 0.44 O ATOM 413 CB ALA A 24 2.413 6.990 6.768 1.00 0.65 C ATOM 0 H ALA A 24 1.410 4.595 5.348 1.00 0.45 H new ATOM 0 HA ALA A 24 2.991 6.950 4.705 1.00 0.51 H new ATOM 0 HB1 ALA A 24 3.317 7.498 7.103 1.00 0.65 H new ATOM 0 HB2 ALA A 24 1.628 7.725 6.592 1.00 0.65 H new ATOM 0 HB3 ALA A 24 2.086 6.287 7.534 1.00 0.65 H new ATOM 419 N ARG A 25 5.038 5.733 5.285 1.00 0.60 N ATOM 420 CA ARG A 25 6.276 5.034 5.569 1.00 0.65 C ATOM 421 C ARG A 25 6.794 5.522 6.920 1.00 0.67 C ATOM 422 O ARG A 25 6.445 6.617 7.358 1.00 0.76 O ATOM 423 CB ARG A 25 7.290 5.308 4.445 1.00 0.86 C ATOM 424 CG ARG A 25 8.678 4.726 4.683 1.00 1.27 C ATOM 425 CD ARG A 25 9.600 4.967 3.495 1.00 1.80 C ATOM 426 NE ARG A 25 9.348 4.030 2.399 1.00 2.24 N ATOM 427 CZ ARG A 25 8.887 4.377 1.196 1.00 2.94 C ATOM 428 NH1 ARG A 25 8.579 5.641 0.932 1.00 3.40 N ATOM 429 NH2 ARG A 25 8.737 3.453 0.256 1.00 3.61 N ATOM 0 H ARG A 25 5.161 6.599 4.760 1.00 0.60 H new ATOM 0 HA ARG A 25 6.117 3.957 5.615 1.00 0.65 H new ATOM 0 HB2 ARG A 25 6.896 4.903 3.513 1.00 0.86 H new ATOM 0 HB3 ARG A 25 7.381 6.386 4.311 1.00 0.86 H new ATOM 0 HG2 ARG A 25 9.112 5.173 5.577 1.00 1.27 H new ATOM 0 HG3 ARG A 25 8.597 3.655 4.870 1.00 1.27 H new ATOM 0 HD2 ARG A 25 9.467 5.987 3.136 1.00 1.80 H new ATOM 0 HD3 ARG A 25 10.637 4.875 3.818 1.00 1.80 H new ATOM 0 HE ARG A 25 9.538 3.042 2.567 1.00 2.24 H new ATOM 0 HH11 ARG A 25 8.694 6.355 1.651 1.00 3.40 H new ATOM 0 HH12 ARG A 25 8.227 5.898 0.010 1.00 3.40 H new ATOM 0 HH21 ARG A 25 8.974 2.481 0.454 1.00 3.61 H new ATOM 0 HH22 ARG A 25 8.385 3.715 -0.665 1.00 3.61 H new ATOM 443 N VAL A 26 7.616 4.719 7.579 1.00 0.70 N ATOM 444 CA VAL A 26 8.078 5.056 8.920 1.00 0.81 C ATOM 445 C VAL A 26 9.595 5.000 8.997 1.00 0.92 C ATOM 446 O VAL A 26 10.260 6.031 8.930 1.00 1.51 O ATOM 447 CB VAL A 26 7.444 4.163 10.016 1.00 0.95 C ATOM 448 CG1 VAL A 26 6.077 4.701 10.403 1.00 1.32 C ATOM 449 CG2 VAL A 26 7.323 2.715 9.554 1.00 1.07 C ATOM 0 H VAL A 26 7.975 3.837 7.213 1.00 0.70 H new ATOM 0 HA VAL A 26 7.749 6.077 9.116 1.00 0.81 H new ATOM 0 HB VAL A 26 8.100 4.185 10.886 1.00 0.95 H new ATOM 0 HG11 VAL A 26 5.641 4.066 11.174 1.00 1.32 H new ATOM 0 HG12 VAL A 26 6.181 5.716 10.785 1.00 1.32 H new ATOM 0 HG13 VAL A 26 5.427 4.707 9.528 1.00 1.32 H new ATOM 0 HG21 VAL A 26 6.874 2.116 10.347 1.00 1.07 H new ATOM 0 HG22 VAL A 26 6.695 2.668 8.664 1.00 1.07 H new ATOM 0 HG23 VAL A 26 8.313 2.324 9.320 1.00 1.07 H new ATOM 459 N GLY A 27 10.147 3.807 9.137 1.00 0.93 N ATOM 460 CA GLY A 27 11.580 3.651 9.093 1.00 0.96 C ATOM 461 C GLY A 27 11.977 2.488 8.217 1.00 0.89 C ATOM 462 O GLY A 27 12.430 2.675 7.090 1.00 0.98 O ATOM 0 H GLY A 27 9.625 2.942 9.281 1.00 0.93 H new ATOM 0 HA2 GLY A 27 12.036 4.566 8.716 1.00 0.96 H new ATOM 0 HA3 GLY A 27 11.963 3.497 10.102 1.00 0.96 H new ATOM 466 N LYS A 28 11.795 1.284 8.732 1.00 0.91 N ATOM 467 CA LYS A 28 12.157 0.085 7.993 1.00 0.97 C ATOM 468 C LYS A 28 10.916 -0.601 7.433 1.00 0.77 C ATOM 469 O LYS A 28 10.975 -1.290 6.417 1.00 0.86 O ATOM 470 CB LYS A 28 12.932 -0.886 8.892 1.00 1.22 C ATOM 471 CG LYS A 28 14.043 -0.231 9.708 1.00 1.60 C ATOM 472 CD LYS A 28 14.939 0.663 8.860 1.00 1.99 C ATOM 473 CE LYS A 28 15.620 -0.108 7.742 1.00 2.47 C ATOM 474 NZ LYS A 28 16.425 0.786 6.872 1.00 3.21 N ATOM 0 H LYS A 28 11.400 1.110 9.656 1.00 0.91 H new ATOM 0 HA LYS A 28 12.795 0.381 7.161 1.00 0.97 H new ATOM 0 HB2 LYS A 28 12.232 -1.369 9.574 1.00 1.22 H new ATOM 0 HB3 LYS A 28 13.366 -1.670 8.272 1.00 1.22 H new ATOM 0 HG2 LYS A 28 13.601 0.359 10.510 1.00 1.60 H new ATOM 0 HG3 LYS A 28 14.649 -1.005 10.179 1.00 1.60 H new ATOM 0 HD2 LYS A 28 14.345 1.471 8.433 1.00 1.99 H new ATOM 0 HD3 LYS A 28 15.695 1.125 9.495 1.00 1.99 H new ATOM 0 HE2 LYS A 28 16.264 -0.877 8.169 1.00 2.47 H new ATOM 0 HE3 LYS A 28 14.868 -0.620 7.142 1.00 2.47 H new ATOM 0 HZ1 LYS A 28 16.875 0.226 6.120 1.00 3.21 H new ATOM 0 HZ2 LYS A 28 15.806 1.504 6.445 1.00 3.21 H new ATOM 0 HZ3 LYS A 28 17.159 1.255 7.441 1.00 3.21 H new ATOM 488 N MET A 29 9.795 -0.416 8.112 1.00 0.60 N ATOM 489 CA MET A 29 8.545 -1.049 7.710 1.00 0.52 C ATOM 490 C MET A 29 7.533 -0.021 7.200 1.00 0.43 C ATOM 491 O MET A 29 7.901 1.029 6.670 1.00 0.47 O ATOM 492 CB MET A 29 7.955 -1.827 8.890 1.00 0.60 C ATOM 493 CG MET A 29 8.774 -3.041 9.287 1.00 1.39 C ATOM 494 SD MET A 29 8.073 -3.919 10.700 1.00 1.86 S ATOM 495 CE MET A 29 6.503 -4.456 10.026 1.00 2.42 C ATOM 0 H MET A 29 9.723 0.168 8.945 1.00 0.60 H new ATOM 0 HA MET A 29 8.762 -1.736 6.892 1.00 0.52 H new ATOM 0 HB2 MET A 29 7.870 -1.160 9.748 1.00 0.60 H new ATOM 0 HB3 MET A 29 6.945 -2.148 8.634 1.00 0.60 H new ATOM 0 HG2 MET A 29 8.843 -3.722 8.438 1.00 1.39 H new ATOM 0 HG3 MET A 29 9.790 -2.727 9.527 1.00 1.39 H new ATOM 0 HE1 MET A 29 6.049 -5.185 10.697 1.00 2.42 H new ATOM 0 HE2 MET A 29 5.839 -3.598 9.921 1.00 2.42 H new ATOM 0 HE3 MET A 29 6.663 -4.912 9.049 1.00 2.42 H new ATOM 505 N VAL A 30 6.261 -0.320 7.421 1.00 0.52 N ATOM 506 CA VAL A 30 5.159 0.453 6.861 1.00 0.45 C ATOM 507 C VAL A 30 4.063 0.568 7.910 1.00 0.44 C ATOM 508 O VAL A 30 3.728 -0.417 8.565 1.00 0.61 O ATOM 509 CB VAL A 30 4.569 -0.201 5.586 1.00 0.56 C ATOM 510 CG1 VAL A 30 3.403 0.622 5.046 1.00 0.54 C ATOM 511 CG2 VAL A 30 5.630 -0.369 4.511 1.00 0.61 C ATOM 0 H VAL A 30 5.962 -1.108 7.996 1.00 0.52 H new ATOM 0 HA VAL A 30 5.545 1.433 6.581 1.00 0.45 H new ATOM 0 HB VAL A 30 4.203 -1.190 5.863 1.00 0.56 H new ATOM 0 HG11 VAL A 30 3.004 0.144 4.151 1.00 0.54 H new ATOM 0 HG12 VAL A 30 2.621 0.685 5.803 1.00 0.54 H new ATOM 0 HG13 VAL A 30 3.750 1.625 4.798 1.00 0.54 H new ATOM 0 HG21 VAL A 30 5.185 -0.830 3.629 1.00 0.61 H new ATOM 0 HG22 VAL A 30 6.035 0.607 4.244 1.00 0.61 H new ATOM 0 HG23 VAL A 30 6.432 -1.004 4.887 1.00 0.61 H new ATOM 521 N SER A 31 3.529 1.762 8.095 1.00 0.35 N ATOM 522 CA SER A 31 2.441 1.963 9.035 1.00 0.39 C ATOM 523 C SER A 31 1.351 2.812 8.400 1.00 0.37 C ATOM 524 O SER A 31 1.409 4.043 8.406 1.00 0.48 O ATOM 525 CB SER A 31 2.961 2.602 10.322 1.00 0.53 C ATOM 526 OG SER A 31 3.912 1.754 10.946 1.00 1.25 O ATOM 0 H SER A 31 3.830 2.606 7.608 1.00 0.35 H new ATOM 0 HA SER A 31 2.010 0.995 9.292 1.00 0.39 H new ATOM 0 HB2 SER A 31 3.416 3.567 10.098 1.00 0.53 H new ATOM 0 HB3 SER A 31 2.131 2.791 11.003 1.00 0.53 H new ATOM 0 HG SER A 31 4.238 2.177 11.768 1.00 1.25 H new ATOM 532 N PHE A 32 0.356 2.142 7.846 1.00 0.34 N ATOM 533 CA PHE A 32 -0.717 2.823 7.145 1.00 0.34 C ATOM 534 C PHE A 32 -1.930 2.976 8.047 1.00 0.34 C ATOM 535 O PHE A 32 -2.200 2.123 8.898 1.00 0.35 O ATOM 536 CB PHE A 32 -1.086 2.076 5.854 1.00 0.35 C ATOM 537 CG PHE A 32 -1.412 0.616 6.039 1.00 0.37 C ATOM 538 CD1 PHE A 32 -0.409 -0.341 6.026 1.00 0.49 C ATOM 539 CD2 PHE A 32 -2.724 0.199 6.208 1.00 0.42 C ATOM 540 CE1 PHE A 32 -0.707 -1.681 6.183 1.00 0.61 C ATOM 541 CE2 PHE A 32 -3.025 -1.140 6.364 1.00 0.53 C ATOM 542 CZ PHE A 32 -2.018 -2.079 6.352 1.00 0.61 C ATOM 0 H PHE A 32 0.269 1.126 7.868 1.00 0.34 H new ATOM 0 HA PHE A 32 -0.369 3.818 6.870 1.00 0.34 H new ATOM 0 HB2 PHE A 32 -1.944 2.570 5.398 1.00 0.35 H new ATOM 0 HB3 PHE A 32 -0.257 2.162 5.151 1.00 0.35 H new ATOM 0 HD1 PHE A 32 0.618 -0.035 5.891 1.00 0.49 H new ATOM 0 HD2 PHE A 32 -3.519 0.930 6.218 1.00 0.42 H new ATOM 0 HE1 PHE A 32 0.084 -2.416 6.174 1.00 0.61 H new ATOM 0 HE2 PHE A 32 -4.051 -1.451 6.495 1.00 0.53 H new ATOM 0 HZ PHE A 32 -2.254 -3.126 6.475 1.00 0.61 H new ATOM 552 N THR A 33 -2.650 4.068 7.861 1.00 0.38 N ATOM 553 CA THR A 33 -3.811 4.370 8.667 1.00 0.46 C ATOM 554 C THR A 33 -5.083 4.195 7.846 1.00 0.50 C ATOM 555 O THR A 33 -5.291 4.859 6.827 1.00 0.62 O ATOM 556 CB THR A 33 -3.730 5.798 9.242 1.00 0.57 C ATOM 557 OG1 THR A 33 -3.271 6.713 8.234 1.00 1.17 O ATOM 558 CG2 THR A 33 -2.793 5.846 10.440 1.00 1.06 C ATOM 0 H THR A 33 -2.444 4.767 7.147 1.00 0.38 H new ATOM 0 HA THR A 33 -3.836 3.673 9.504 1.00 0.46 H new ATOM 0 HB THR A 33 -4.729 6.090 9.567 1.00 0.57 H new ATOM 0 HG1 THR A 33 -3.225 7.617 8.609 1.00 1.17 H new ATOM 0 HG21 THR A 33 -2.752 6.863 10.829 1.00 1.06 H new ATOM 0 HG22 THR A 33 -3.161 5.175 11.217 1.00 1.06 H new ATOM 0 HG23 THR A 33 -1.795 5.534 10.134 1.00 1.06 H new ATOM 566 N TYR A 34 -5.932 3.298 8.303 1.00 0.54 N ATOM 567 CA TYR A 34 -7.100 2.912 7.536 1.00 0.63 C ATOM 568 C TYR A 34 -8.359 2.983 8.383 1.00 0.70 C ATOM 569 O TYR A 34 -9.330 3.626 7.987 1.00 0.95 O ATOM 570 CB TYR A 34 -6.914 1.505 6.934 1.00 0.69 C ATOM 571 CG TYR A 34 -6.646 0.400 7.939 1.00 0.64 C ATOM 572 CD1 TYR A 34 -5.408 0.274 8.554 1.00 0.66 C ATOM 573 CD2 TYR A 34 -7.634 -0.519 8.265 1.00 0.76 C ATOM 574 CE1 TYR A 34 -5.165 -0.739 9.464 1.00 0.72 C ATOM 575 CE2 TYR A 34 -7.397 -1.531 9.175 1.00 0.81 C ATOM 576 CZ TYR A 34 -6.161 -1.636 9.772 1.00 0.75 C ATOM 577 OH TYR A 34 -5.924 -2.644 10.677 1.00 0.87 O ATOM 0 H TYR A 34 -5.836 2.823 9.200 1.00 0.54 H new ATOM 0 HA TYR A 34 -7.215 3.619 6.715 1.00 0.63 H new ATOM 0 HB2 TYR A 34 -7.809 1.249 6.367 1.00 0.69 H new ATOM 0 HB3 TYR A 34 -6.087 1.537 6.225 1.00 0.69 H new ATOM 0 HD1 TYR A 34 -4.623 0.977 8.319 1.00 0.66 H new ATOM 0 HD2 TYR A 34 -8.605 -0.441 7.799 1.00 0.76 H new ATOM 0 HE1 TYR A 34 -4.195 -0.825 9.932 1.00 0.72 H new ATOM 0 HE2 TYR A 34 -8.178 -2.237 9.417 1.00 0.81 H new ATOM 0 HH TYR A 34 -6.115 -2.322 11.583 1.00 0.87 H new ATOM 587 N ASP A 35 -8.339 2.331 9.542 1.00 1.05 N ATOM 588 CA ASP A 35 -9.512 2.257 10.408 1.00 1.19 C ATOM 589 C ASP A 35 -10.604 1.477 9.693 1.00 1.20 C ATOM 590 O ASP A 35 -11.397 2.020 8.923 1.00 1.46 O ATOM 591 CB ASP A 35 -10.011 3.647 10.822 1.00 1.51 C ATOM 592 CG ASP A 35 -11.196 3.576 11.764 1.00 1.63 C ATOM 593 OD1 ASP A 35 -10.989 3.331 12.970 1.00 2.12 O ATOM 594 OD2 ASP A 35 -12.341 3.759 11.299 1.00 1.99 O ATOM 0 H ASP A 35 -7.519 1.844 9.905 1.00 1.05 H new ATOM 0 HA ASP A 35 -9.234 1.742 11.328 1.00 1.19 H new ATOM 0 HB2 ASP A 35 -9.200 4.193 11.303 1.00 1.51 H new ATOM 0 HB3 ASP A 35 -10.291 4.210 9.932 1.00 1.51 H new ATOM 599 N ASP A 36 -10.616 0.187 9.949 1.00 1.24 N ATOM 600 CA ASP A 36 -11.479 -0.740 9.240 1.00 1.47 C ATOM 601 C ASP A 36 -12.751 -0.969 10.047 1.00 1.69 C ATOM 602 O ASP A 36 -12.955 -0.333 11.081 1.00 2.10 O ATOM 603 CB ASP A 36 -10.703 -2.045 9.017 1.00 1.93 C ATOM 604 CG ASP A 36 -11.427 -3.055 8.158 1.00 2.68 C ATOM 605 OD1 ASP A 36 -11.605 -2.802 6.958 1.00 3.47 O ATOM 606 OD2 ASP A 36 -11.817 -4.113 8.689 1.00 2.88 O ATOM 0 H ASP A 36 -10.027 -0.252 10.656 1.00 1.24 H new ATOM 0 HA ASP A 36 -11.774 -0.338 8.271 1.00 1.47 H new ATOM 0 HB2 ASP A 36 -9.745 -1.810 8.553 1.00 1.93 H new ATOM 0 HB3 ASP A 36 -10.487 -2.496 9.985 1.00 1.93 H new ATOM 611 N ASN A 37 -13.609 -1.860 9.576 1.00 2.04 N ATOM 612 CA ASN A 37 -14.890 -2.093 10.220 1.00 2.52 C ATOM 613 C ASN A 37 -14.904 -3.478 10.846 1.00 2.87 C ATOM 614 O ASN A 37 -15.847 -3.855 11.538 1.00 3.52 O ATOM 615 CB ASN A 37 -16.036 -1.924 9.221 1.00 3.11 C ATOM 616 CG ASN A 37 -16.110 -0.511 8.656 1.00 3.61 C ATOM 617 OD1 ASN A 37 -16.542 -0.308 7.521 1.00 4.37 O ATOM 618 ND2 ASN A 37 -15.695 0.477 9.437 1.00 3.58 N ATOM 0 H ASN A 37 -13.441 -2.434 8.750 1.00 2.04 H new ATOM 0 HA ASN A 37 -15.032 -1.355 11.009 1.00 2.52 H new ATOM 0 HB2 ASN A 37 -15.909 -2.633 8.403 1.00 3.11 H new ATOM 0 HB3 ASN A 37 -16.979 -2.167 9.710 1.00 3.11 H new ATOM 0 HD21 ASN A 37 -15.728 1.440 9.102 1.00 3.58 H new ATOM 0 HD22 ASN A 37 -15.343 0.274 10.372 1.00 3.58 H new ATOM 625 N GLY A 38 -13.848 -4.232 10.564 1.00 3.05 N ATOM 626 CA GLY A 38 -13.586 -5.475 11.260 1.00 3.84 C ATOM 627 C GLY A 38 -12.248 -5.390 11.963 1.00 3.87 C ATOM 628 O GLY A 38 -12.099 -5.805 13.111 1.00 4.27 O ATOM 0 H GLY A 38 -13.157 -3.997 9.851 1.00 3.05 H new ATOM 0 HA2 GLY A 38 -14.377 -5.672 11.984 1.00 3.84 H new ATOM 0 HA3 GLY A 38 -13.585 -6.306 10.554 1.00 3.84 H new ATOM 632 N LYS A 39 -11.283 -4.836 11.245 1.00 3.58 N ATOM 633 CA LYS A 39 -10.001 -4.444 11.815 1.00 3.65 C ATOM 634 C LYS A 39 -10.101 -2.976 12.210 1.00 3.06 C ATOM 635 O LYS A 39 -11.192 -2.414 12.167 1.00 3.00 O ATOM 636 CB LYS A 39 -8.868 -4.654 10.796 1.00 3.97 C ATOM 637 CG LYS A 39 -8.426 -6.106 10.632 1.00 4.01 C ATOM 638 CD LYS A 39 -9.532 -7.005 10.086 1.00 4.09 C ATOM 639 CE LYS A 39 -9.522 -7.094 8.564 1.00 4.30 C ATOM 640 NZ LYS A 39 -9.853 -5.804 7.904 1.00 4.81 N ATOM 0 H LYS A 39 -11.366 -4.644 10.247 1.00 3.58 H new ATOM 0 HA LYS A 39 -9.771 -5.056 12.687 1.00 3.65 H new ATOM 0 HB2 LYS A 39 -9.193 -4.275 9.827 1.00 3.97 H new ATOM 0 HB3 LYS A 39 -8.008 -4.058 11.100 1.00 3.97 H new ATOM 0 HG2 LYS A 39 -7.568 -6.146 9.961 1.00 4.01 H new ATOM 0 HG3 LYS A 39 -8.095 -6.491 11.596 1.00 4.01 H new ATOM 0 HD2 LYS A 39 -9.421 -8.005 10.505 1.00 4.09 H new ATOM 0 HD3 LYS A 39 -10.499 -6.626 10.417 1.00 4.09 H new ATOM 0 HE2 LYS A 39 -8.538 -7.424 8.231 1.00 4.30 H new ATOM 0 HE3 LYS A 39 -10.237 -7.853 8.245 1.00 4.30 H new ATOM 0 HZ1 LYS A 39 -10.096 -5.976 6.908 1.00 4.81 H new ATOM 0 HZ2 LYS A 39 -10.662 -5.364 8.387 1.00 4.81 H new ATOM 0 HZ3 LYS A 39 -9.032 -5.167 7.955 1.00 4.81 H new ATOM 654 N THR A 40 -8.996 -2.340 12.583 1.00 2.83 N ATOM 655 CA THR A 40 -9.012 -0.918 12.905 1.00 2.37 C ATOM 656 C THR A 40 -7.603 -0.468 13.285 1.00 1.60 C ATOM 657 O THR A 40 -6.673 -1.275 13.266 1.00 2.02 O ATOM 658 CB THR A 40 -10.003 -0.596 14.056 1.00 2.76 C ATOM 659 OG1 THR A 40 -10.155 0.824 14.202 1.00 2.97 O ATOM 660 CG2 THR A 40 -9.535 -1.201 15.375 1.00 3.08 C ATOM 0 H THR A 40 -8.082 -2.784 12.670 1.00 2.83 H new ATOM 0 HA THR A 40 -9.351 -0.375 12.023 1.00 2.37 H new ATOM 0 HB THR A 40 -10.965 -1.037 13.797 1.00 2.76 H new ATOM 0 HG1 THR A 40 -10.552 1.196 13.387 1.00 2.97 H new ATOM 0 HG21 THR A 40 -10.250 -0.958 16.161 1.00 3.08 H new ATOM 0 HG22 THR A 40 -9.462 -2.284 15.273 1.00 3.08 H new ATOM 0 HG23 THR A 40 -8.558 -0.795 15.635 1.00 3.08 H new ATOM 668 N GLY A 41 -7.441 0.808 13.598 1.00 1.15 N ATOM 669 CA GLY A 41 -6.157 1.299 14.048 1.00 0.83 C ATOM 670 C GLY A 41 -5.165 1.475 12.919 1.00 0.61 C ATOM 671 O GLY A 41 -5.314 2.362 12.077 1.00 0.62 O ATOM 0 H GLY A 41 -8.177 1.513 13.548 1.00 1.15 H new ATOM 0 HA2 GLY A 41 -6.296 2.254 14.555 1.00 0.83 H new ATOM 0 HA3 GLY A 41 -5.745 0.606 14.782 1.00 0.83 H new ATOM 675 N ARG A 42 -4.175 0.601 12.890 1.00 0.52 N ATOM 676 CA ARG A 42 -3.087 0.704 11.939 1.00 0.51 C ATOM 677 C ARG A 42 -2.647 -0.683 11.503 1.00 0.47 C ATOM 678 O ARG A 42 -3.001 -1.682 12.131 1.00 0.61 O ATOM 679 CB ARG A 42 -1.908 1.493 12.540 1.00 0.76 C ATOM 680 CG ARG A 42 -1.398 0.959 13.876 1.00 1.24 C ATOM 681 CD ARG A 42 -0.488 -0.250 13.712 1.00 1.30 C ATOM 682 NE ARG A 42 -0.254 -0.936 14.982 1.00 1.86 N ATOM 683 CZ ARG A 42 0.723 -1.815 15.192 1.00 2.34 C ATOM 684 NH1 ARG A 42 1.649 -2.018 14.263 1.00 2.55 N ATOM 685 NH2 ARG A 42 0.791 -2.467 16.349 1.00 3.13 N ATOM 0 H ARG A 42 -4.104 -0.196 13.523 1.00 0.52 H new ATOM 0 HA ARG A 42 -3.438 1.249 11.062 1.00 0.51 H new ATOM 0 HB2 ARG A 42 -1.085 1.491 11.825 1.00 0.76 H new ATOM 0 HB3 ARG A 42 -2.213 2.531 12.672 1.00 0.76 H new ATOM 0 HG2 ARG A 42 -0.857 1.749 14.396 1.00 1.24 H new ATOM 0 HG3 ARG A 42 -2.247 0.688 14.503 1.00 1.24 H new ATOM 0 HD2 ARG A 42 -0.934 -0.946 13.001 1.00 1.30 H new ATOM 0 HD3 ARG A 42 0.466 0.068 13.291 1.00 1.30 H new ATOM 0 HE ARG A 42 -0.881 -0.727 15.759 1.00 1.86 H new ATOM 0 HH11 ARG A 42 1.613 -1.500 13.385 1.00 2.55 H new ATOM 0 HH12 ARG A 42 2.397 -2.692 14.427 1.00 2.55 H new ATOM 0 HH21 ARG A 42 0.095 -2.293 17.074 1.00 3.13 H new ATOM 0 HH22 ARG A 42 1.539 -3.141 16.511 1.00 3.13 H new ATOM 699 N GLY A 43 -1.888 -0.732 10.427 1.00 0.40 N ATOM 700 CA GLY A 43 -1.341 -1.985 9.960 1.00 0.43 C ATOM 701 C GLY A 43 0.140 -1.862 9.723 1.00 0.38 C ATOM 702 O GLY A 43 0.611 -0.797 9.319 1.00 0.39 O ATOM 0 H GLY A 43 -1.638 0.080 9.863 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -1.533 -2.768 10.694 1.00 0.43 H new ATOM 0 HA3 GLY A 43 -1.839 -2.284 9.037 1.00 0.43 H new ATOM 706 N ALA A 44 0.881 -2.930 9.971 1.00 0.38 N ATOM 707 CA ALA A 44 2.323 -2.890 9.820 1.00 0.39 C ATOM 708 C ALA A 44 2.819 -4.070 8.999 1.00 0.44 C ATOM 709 O ALA A 44 2.585 -5.229 9.341 1.00 0.53 O ATOM 710 CB ALA A 44 2.997 -2.870 11.184 1.00 0.46 C ATOM 0 H ALA A 44 0.509 -3.829 10.276 1.00 0.38 H new ATOM 0 HA ALA A 44 2.583 -1.976 9.287 1.00 0.39 H new ATOM 0 HB1 ALA A 44 4.079 -2.840 11.055 1.00 0.46 H new ATOM 0 HB2 ALA A 44 2.673 -1.988 11.737 1.00 0.46 H new ATOM 0 HB3 ALA A 44 2.723 -3.767 11.739 1.00 0.46 H new ATOM 716 N VAL A 45 3.483 -3.756 7.899 1.00 0.45 N ATOM 717 CA VAL A 45 4.054 -4.762 7.026 1.00 0.54 C ATOM 718 C VAL A 45 5.380 -4.244 6.470 1.00 0.47 C ATOM 719 O VAL A 45 5.644 -3.043 6.502 1.00 0.49 O ATOM 720 CB VAL A 45 3.078 -5.100 5.871 1.00 0.70 C ATOM 721 CG1 VAL A 45 2.930 -3.920 4.923 1.00 1.21 C ATOM 722 CG2 VAL A 45 3.512 -6.350 5.117 1.00 1.50 C ATOM 0 H VAL A 45 3.640 -2.797 7.588 1.00 0.45 H new ATOM 0 HA VAL A 45 4.229 -5.676 7.594 1.00 0.54 H new ATOM 0 HB VAL A 45 2.104 -5.306 6.315 1.00 0.70 H new ATOM 0 HG11 VAL A 45 2.240 -4.182 4.121 1.00 1.21 H new ATOM 0 HG12 VAL A 45 2.542 -3.061 5.470 1.00 1.21 H new ATOM 0 HG13 VAL A 45 3.902 -3.670 4.498 1.00 1.21 H new ATOM 0 HG21 VAL A 45 2.803 -6.555 4.315 1.00 1.50 H new ATOM 0 HG22 VAL A 45 4.504 -6.193 4.694 1.00 1.50 H new ATOM 0 HG23 VAL A 45 3.540 -7.197 5.802 1.00 1.50 H new ATOM 732 N SER A 46 6.218 -5.147 6.007 1.00 0.51 N ATOM 733 CA SER A 46 7.481 -4.784 5.390 1.00 0.62 C ATOM 734 C SER A 46 7.256 -4.348 3.940 1.00 0.74 C ATOM 735 O SER A 46 6.332 -4.823 3.280 1.00 1.13 O ATOM 736 CB SER A 46 8.419 -5.983 5.467 1.00 0.78 C ATOM 737 OG SER A 46 7.687 -7.199 5.373 1.00 1.26 O ATOM 0 H SER A 46 6.046 -6.152 6.046 1.00 0.51 H new ATOM 0 HA SER A 46 7.930 -3.943 5.918 1.00 0.62 H new ATOM 0 HB2 SER A 46 9.152 -5.930 4.662 1.00 0.78 H new ATOM 0 HB3 SER A 46 8.974 -5.958 6.405 1.00 0.78 H new ATOM 0 HG SER A 46 8.075 -7.761 4.671 1.00 1.26 H new ATOM 743 N GLU A 47 8.112 -3.446 3.455 1.00 0.64 N ATOM 744 CA GLU A 47 7.963 -2.878 2.113 1.00 0.78 C ATOM 745 C GLU A 47 8.142 -3.935 1.034 1.00 0.69 C ATOM 746 O GLU A 47 7.567 -3.826 -0.049 1.00 0.81 O ATOM 747 CB GLU A 47 8.960 -1.741 1.875 1.00 1.15 C ATOM 748 CG GLU A 47 8.610 -0.452 2.600 1.00 1.53 C ATOM 749 CD GLU A 47 9.377 0.736 2.059 1.00 1.83 C ATOM 750 OE1 GLU A 47 9.329 0.967 0.832 1.00 2.01 O ATOM 751 OE2 GLU A 47 10.010 1.459 2.853 1.00 2.34 O ATOM 0 H GLU A 47 8.917 -3.093 3.972 1.00 0.64 H new ATOM 0 HA GLU A 47 6.949 -2.482 2.053 1.00 0.78 H new ATOM 0 HB2 GLU A 47 9.950 -2.067 2.192 1.00 1.15 H new ATOM 0 HB3 GLU A 47 9.018 -1.540 0.805 1.00 1.15 H new ATOM 0 HG2 GLU A 47 7.540 -0.264 2.507 1.00 1.53 H new ATOM 0 HG3 GLU A 47 8.823 -0.566 3.663 1.00 1.53 H new ATOM 758 N LYS A 48 8.957 -4.940 1.318 1.00 0.67 N ATOM 759 CA LYS A 48 9.174 -6.030 0.377 1.00 0.76 C ATOM 760 C LYS A 48 7.919 -6.897 0.274 1.00 0.70 C ATOM 761 O LYS A 48 7.568 -7.382 -0.803 1.00 0.83 O ATOM 762 CB LYS A 48 10.375 -6.875 0.820 1.00 0.93 C ATOM 763 CG LYS A 48 11.250 -7.364 -0.325 1.00 1.63 C ATOM 764 CD LYS A 48 10.518 -8.339 -1.232 1.00 2.06 C ATOM 765 CE LYS A 48 11.392 -8.772 -2.397 1.00 2.59 C ATOM 766 NZ LYS A 48 11.805 -7.620 -3.238 1.00 3.35 N ATOM 0 H LYS A 48 9.478 -5.024 2.191 1.00 0.67 H new ATOM 0 HA LYS A 48 9.386 -5.611 -0.607 1.00 0.76 H new ATOM 0 HB2 LYS A 48 10.987 -6.286 1.504 1.00 0.93 H new ATOM 0 HB3 LYS A 48 10.012 -7.737 1.379 1.00 0.93 H new ATOM 0 HG2 LYS A 48 11.589 -6.510 -0.911 1.00 1.63 H new ATOM 0 HG3 LYS A 48 12.140 -7.846 0.080 1.00 1.63 H new ATOM 0 HD2 LYS A 48 10.213 -9.214 -0.658 1.00 2.06 H new ATOM 0 HD3 LYS A 48 9.608 -7.874 -1.611 1.00 2.06 H new ATOM 0 HE2 LYS A 48 12.278 -9.280 -2.017 1.00 2.59 H new ATOM 0 HE3 LYS A 48 10.850 -9.493 -3.009 1.00 2.59 H new ATOM 0 HZ1 LYS A 48 12.144 -7.966 -4.158 1.00 3.35 H new ATOM 0 HZ2 LYS A 48 10.992 -6.988 -3.384 1.00 3.35 H new ATOM 0 HZ3 LYS A 48 12.568 -7.098 -2.762 1.00 3.35 H new ATOM 780 N ASP A 49 7.239 -7.072 1.399 1.00 0.59 N ATOM 781 CA ASP A 49 6.043 -7.910 1.453 1.00 0.65 C ATOM 782 C ASP A 49 4.786 -7.110 1.138 1.00 0.66 C ATOM 783 O ASP A 49 3.673 -7.626 1.246 1.00 0.72 O ATOM 784 CB ASP A 49 5.896 -8.543 2.845 1.00 0.68 C ATOM 785 CG ASP A 49 7.039 -9.473 3.208 1.00 1.28 C ATOM 786 OD1 ASP A 49 8.176 -8.986 3.405 1.00 2.22 O ATOM 787 OD2 ASP A 49 6.807 -10.694 3.320 1.00 1.27 O ATOM 0 H ASP A 49 7.494 -6.645 2.290 1.00 0.59 H new ATOM 0 HA ASP A 49 6.160 -8.690 0.701 1.00 0.65 H new ATOM 0 HB2 ASP A 49 5.831 -7.751 3.591 1.00 0.68 H new ATOM 0 HB3 ASP A 49 4.959 -9.098 2.887 1.00 0.68 H new ATOM 792 N ALA A 50 4.961 -5.854 0.745 1.00 0.69 N ATOM 793 CA ALA A 50 3.831 -5.000 0.414 1.00 0.72 C ATOM 794 C ALA A 50 3.228 -5.397 -0.929 1.00 0.70 C ATOM 795 O ALA A 50 3.888 -5.299 -1.966 1.00 0.79 O ATOM 796 CB ALA A 50 4.254 -3.540 0.395 1.00 0.87 C ATOM 0 H ALA A 50 5.873 -5.407 0.648 1.00 0.69 H new ATOM 0 HA ALA A 50 3.069 -5.130 1.183 1.00 0.72 H new ATOM 0 HB1 ALA A 50 3.396 -2.916 0.146 1.00 0.87 H new ATOM 0 HB2 ALA A 50 4.634 -3.259 1.377 1.00 0.87 H new ATOM 0 HB3 ALA A 50 5.036 -3.397 -0.351 1.00 0.87 H new ATOM 802 N PRO A 51 1.969 -5.851 -0.930 1.00 0.65 N ATOM 803 CA PRO A 51 1.295 -6.322 -2.142 1.00 0.70 C ATOM 804 C PRO A 51 0.881 -5.180 -3.068 1.00 0.72 C ATOM 805 O PRO A 51 0.021 -4.383 -2.710 1.00 1.01 O ATOM 806 CB PRO A 51 0.064 -7.044 -1.595 1.00 0.72 C ATOM 807 CG PRO A 51 -0.229 -6.364 -0.304 1.00 0.73 C ATOM 808 CD PRO A 51 1.098 -5.932 0.256 1.00 0.64 C ATOM 0 HA PRO A 51 1.944 -6.950 -2.752 1.00 0.70 H new ATOM 0 HB2 PRO A 51 -0.778 -6.968 -2.283 1.00 0.72 H new ATOM 0 HB3 PRO A 51 0.260 -8.106 -1.448 1.00 0.72 H new ATOM 0 HG2 PRO A 51 -0.885 -5.507 -0.456 1.00 0.73 H new ATOM 0 HG3 PRO A 51 -0.740 -7.038 0.383 1.00 0.73 H new ATOM 0 HD2 PRO A 51 1.024 -4.971 0.765 1.00 0.64 H new ATOM 0 HD3 PRO A 51 1.478 -6.649 0.984 1.00 0.64 H new ATOM 816 N LYS A 52 1.545 -5.124 -4.230 1.00 0.61 N ATOM 817 CA LYS A 52 1.288 -4.161 -5.324 1.00 0.70 C ATOM 818 C LYS A 52 0.578 -2.873 -4.889 1.00 0.60 C ATOM 819 O LYS A 52 1.230 -1.851 -4.715 1.00 0.70 O ATOM 820 CB LYS A 52 0.517 -4.835 -6.464 1.00 1.04 C ATOM 821 CG LYS A 52 0.504 -4.024 -7.753 1.00 1.38 C ATOM 822 CD LYS A 52 1.915 -3.696 -8.215 1.00 2.01 C ATOM 823 CE LYS A 52 1.916 -2.924 -9.525 1.00 2.22 C ATOM 824 NZ LYS A 52 1.108 -1.677 -9.451 1.00 2.97 N ATOM 0 H LYS A 52 2.305 -5.769 -4.448 1.00 0.61 H new ATOM 0 HA LYS A 52 2.273 -3.849 -5.671 1.00 0.70 H new ATOM 0 HB2 LYS A 52 0.959 -5.811 -6.663 1.00 1.04 H new ATOM 0 HB3 LYS A 52 -0.510 -5.009 -6.144 1.00 1.04 H new ATOM 0 HG2 LYS A 52 -0.015 -4.583 -8.532 1.00 1.38 H new ATOM 0 HG3 LYS A 52 -0.054 -3.101 -7.598 1.00 1.38 H new ATOM 0 HD2 LYS A 52 2.422 -3.110 -7.448 1.00 2.01 H new ATOM 0 HD3 LYS A 52 2.481 -4.619 -8.337 1.00 2.01 H new ATOM 0 HE2 LYS A 52 2.942 -2.673 -9.795 1.00 2.22 H new ATOM 0 HE3 LYS A 52 1.524 -3.560 -10.319 1.00 2.22 H new ATOM 0 HZ1 LYS A 52 1.555 -0.939 -10.031 1.00 2.97 H new ATOM 0 HZ2 LYS A 52 0.149 -1.863 -9.807 1.00 2.97 H new ATOM 0 HZ3 LYS A 52 1.054 -1.356 -8.463 1.00 2.97 H new ATOM 838 N GLU A 53 -0.754 -2.929 -4.740 1.00 0.67 N ATOM 839 CA GLU A 53 -1.562 -1.771 -4.328 1.00 0.82 C ATOM 840 C GLU A 53 -0.915 -0.996 -3.171 1.00 0.80 C ATOM 841 O GLU A 53 -0.949 0.236 -3.143 1.00 1.00 O ATOM 842 CB GLU A 53 -2.964 -2.248 -3.926 1.00 1.09 C ATOM 843 CG GLU A 53 -3.906 -1.150 -3.446 1.00 1.69 C ATOM 844 CD GLU A 53 -4.275 -0.151 -4.528 1.00 2.07 C ATOM 845 OE1 GLU A 53 -4.736 -0.569 -5.611 1.00 2.77 O ATOM 846 OE2 GLU A 53 -4.115 1.064 -4.299 1.00 2.33 O ATOM 0 H GLU A 53 -1.300 -3.775 -4.901 1.00 0.67 H new ATOM 0 HA GLU A 53 -1.628 -1.088 -5.175 1.00 0.82 H new ATOM 0 HB2 GLU A 53 -3.420 -2.749 -4.780 1.00 1.09 H new ATOM 0 HB3 GLU A 53 -2.865 -2.992 -3.136 1.00 1.09 H new ATOM 0 HG2 GLU A 53 -4.817 -1.607 -3.059 1.00 1.69 H new ATOM 0 HG3 GLU A 53 -3.439 -0.619 -2.617 1.00 1.69 H new ATOM 853 N LEU A 54 -0.297 -1.711 -2.242 1.00 0.69 N ATOM 854 CA LEU A 54 0.319 -1.074 -1.085 1.00 0.74 C ATOM 855 C LEU A 54 1.748 -0.640 -1.404 1.00 0.78 C ATOM 856 O LEU A 54 2.224 0.368 -0.893 1.00 1.15 O ATOM 857 CB LEU A 54 0.321 -2.027 0.110 1.00 0.78 C ATOM 858 CG LEU A 54 0.860 -1.431 1.411 1.00 0.83 C ATOM 859 CD1 LEU A 54 -0.015 -0.275 1.873 1.00 1.34 C ATOM 860 CD2 LEU A 54 0.943 -2.498 2.487 1.00 1.82 C ATOM 0 H LEU A 54 -0.208 -2.727 -2.265 1.00 0.69 H new ATOM 0 HA LEU A 54 -0.267 -0.190 -0.833 1.00 0.74 H new ATOM 0 HB2 LEU A 54 -0.698 -2.373 0.281 1.00 0.78 H new ATOM 0 HB3 LEU A 54 0.917 -2.904 -0.145 1.00 0.78 H new ATOM 0 HG LEU A 54 1.863 -1.048 1.225 1.00 0.83 H new ATOM 0 HD11 LEU A 54 0.385 0.136 2.800 1.00 1.34 H new ATOM 0 HD12 LEU A 54 -0.027 0.501 1.108 1.00 1.34 H new ATOM 0 HD13 LEU A 54 -1.031 -0.633 2.043 1.00 1.34 H new ATOM 0 HD21 LEU A 54 1.328 -2.058 3.407 1.00 1.82 H new ATOM 0 HD22 LEU A 54 -0.050 -2.909 2.670 1.00 1.82 H new ATOM 0 HD23 LEU A 54 1.610 -3.295 2.159 1.00 1.82 H new ATOM 872 N LEU A 55 2.421 -1.402 -2.253 1.00 0.63 N ATOM 873 CA LEU A 55 3.759 -1.039 -2.714 1.00 0.65 C ATOM 874 C LEU A 55 3.700 0.223 -3.581 1.00 0.66 C ATOM 875 O LEU A 55 4.653 1.000 -3.624 1.00 0.76 O ATOM 876 CB LEU A 55 4.374 -2.221 -3.486 1.00 0.68 C ATOM 877 CG LEU A 55 5.849 -2.085 -3.886 1.00 0.99 C ATOM 878 CD1 LEU A 55 6.493 -3.460 -3.968 1.00 1.18 C ATOM 879 CD2 LEU A 55 5.988 -1.374 -5.227 1.00 1.87 C ATOM 0 H LEU A 55 2.065 -2.277 -2.639 1.00 0.63 H new ATOM 0 HA LEU A 55 4.393 -0.819 -1.855 1.00 0.65 H new ATOM 0 HB2 LEU A 55 4.267 -3.119 -2.877 1.00 0.68 H new ATOM 0 HB3 LEU A 55 3.788 -2.379 -4.392 1.00 0.68 H new ATOM 0 HG LEU A 55 6.354 -1.490 -3.125 1.00 0.99 H new ATOM 0 HD11 LEU A 55 7.540 -3.355 -4.252 1.00 1.18 H new ATOM 0 HD12 LEU A 55 6.428 -3.951 -2.997 1.00 1.18 H new ATOM 0 HD13 LEU A 55 5.973 -4.061 -4.714 1.00 1.18 H new ATOM 0 HD21 LEU A 55 7.043 -1.291 -5.487 1.00 1.87 H new ATOM 0 HD22 LEU A 55 5.469 -1.945 -5.997 1.00 1.87 H new ATOM 0 HD23 LEU A 55 5.552 -0.378 -5.157 1.00 1.87 H new ATOM 891 N ASP A 56 2.575 0.431 -4.253 1.00 0.64 N ATOM 892 CA ASP A 56 2.346 1.681 -4.980 1.00 0.69 C ATOM 893 C ASP A 56 2.138 2.817 -3.985 1.00 0.76 C ATOM 894 O ASP A 56 2.547 3.957 -4.221 1.00 0.90 O ATOM 895 CB ASP A 56 1.129 1.574 -5.908 1.00 0.79 C ATOM 896 CG ASP A 56 1.371 0.687 -7.114 1.00 1.12 C ATOM 897 OD1 ASP A 56 2.070 1.122 -8.049 1.00 1.33 O ATOM 898 OD2 ASP A 56 0.883 -0.460 -7.126 1.00 1.59 O ATOM 0 H ASP A 56 1.810 -0.241 -4.312 1.00 0.64 H new ATOM 0 HA ASP A 56 3.222 1.883 -5.597 1.00 0.69 H new ATOM 0 HB2 ASP A 56 0.283 1.184 -5.343 1.00 0.79 H new ATOM 0 HB3 ASP A 56 0.852 2.572 -6.249 1.00 0.79 H new ATOM 903 N MET A 57 1.509 2.484 -2.865 1.00 0.75 N ATOM 904 CA MET A 57 1.302 3.419 -1.765 1.00 0.87 C ATOM 905 C MET A 57 2.579 3.548 -0.938 1.00 0.95 C ATOM 906 O MET A 57 2.581 3.253 0.251 1.00 1.44 O ATOM 907 CB MET A 57 0.163 2.926 -0.863 1.00 0.97 C ATOM 908 CG MET A 57 -1.217 2.960 -1.497 1.00 1.08 C ATOM 909 SD MET A 57 -1.839 4.636 -1.730 1.00 1.54 S ATOM 910 CE MET A 57 -3.498 4.296 -2.317 1.00 2.05 C ATOM 0 H MET A 57 1.126 1.554 -2.693 1.00 0.75 H new ATOM 0 HA MET A 57 1.041 4.392 -2.181 1.00 0.87 H new ATOM 0 HB2 MET A 57 0.380 1.903 -0.555 1.00 0.97 H new ATOM 0 HB3 MET A 57 0.146 3.534 0.041 1.00 0.97 H new ATOM 0 HG2 MET A 57 -1.181 2.454 -2.462 1.00 1.08 H new ATOM 0 HG3 MET A 57 -1.913 2.403 -0.870 1.00 1.08 H new ATOM 0 HE1 MET A 57 -4.016 5.236 -2.508 1.00 2.05 H new ATOM 0 HE2 MET A 57 -3.446 3.717 -3.239 1.00 2.05 H new ATOM 0 HE3 MET A 57 -4.042 3.729 -1.562 1.00 2.05 H new ATOM 920 N LEU A 58 3.646 4.039 -1.560 1.00 0.84 N ATOM 921 CA LEU A 58 4.982 4.032 -0.965 1.00 0.89 C ATOM 922 C LEU A 58 5.912 4.838 -1.864 1.00 0.97 C ATOM 923 O LEU A 58 6.873 5.455 -1.409 1.00 1.36 O ATOM 924 CB LEU A 58 5.524 2.605 -0.794 1.00 0.97 C ATOM 925 CG LEU A 58 5.084 1.873 0.483 1.00 0.87 C ATOM 926 CD1 LEU A 58 5.531 0.421 0.453 1.00 1.63 C ATOM 927 CD2 LEU A 58 5.642 2.575 1.713 1.00 1.59 C ATOM 0 H LEU A 58 3.611 4.454 -2.491 1.00 0.84 H new ATOM 0 HA LEU A 58 4.926 4.476 0.029 1.00 0.89 H new ATOM 0 HB2 LEU A 58 5.214 2.013 -1.655 1.00 0.97 H new ATOM 0 HB3 LEU A 58 6.613 2.645 -0.810 1.00 0.97 H new ATOM 0 HG LEU A 58 3.995 1.894 0.532 1.00 0.87 H new ATOM 0 HD11 LEU A 58 5.209 -0.078 1.367 1.00 1.63 H new ATOM 0 HD12 LEU A 58 5.088 -0.078 -0.409 1.00 1.63 H new ATOM 0 HD13 LEU A 58 6.618 0.376 0.379 1.00 1.63 H new ATOM 0 HD21 LEU A 58 5.322 2.046 2.611 1.00 1.59 H new ATOM 0 HD22 LEU A 58 6.731 2.583 1.665 1.00 1.59 H new ATOM 0 HD23 LEU A 58 5.273 3.600 1.746 1.00 1.59 H new ATOM 939 N ALA A 59 5.609 4.782 -3.162 1.00 0.84 N ATOM 940 CA ALA A 59 6.303 5.590 -4.170 1.00 0.93 C ATOM 941 C ALA A 59 6.158 7.089 -3.898 1.00 0.99 C ATOM 942 O ALA A 59 6.961 7.893 -4.374 1.00 1.11 O ATOM 943 CB ALA A 59 5.781 5.253 -5.557 1.00 1.07 C ATOM 0 H ALA A 59 4.880 4.179 -3.544 1.00 0.84 H new ATOM 0 HA ALA A 59 7.365 5.349 -4.115 1.00 0.93 H new ATOM 0 HB1 ALA A 59 6.302 5.858 -6.299 1.00 1.07 H new ATOM 0 HB2 ALA A 59 5.953 4.197 -5.764 1.00 1.07 H new ATOM 0 HB3 ALA A 59 4.712 5.462 -5.604 1.00 1.07 H new ATOM 949 N ARG A 60 5.136 7.464 -3.143 1.00 1.13 N ATOM 950 CA ARG A 60 5.010 8.839 -2.680 1.00 1.40 C ATOM 951 C ARG A 60 5.859 9.017 -1.430 1.00 1.53 C ATOM 952 O ARG A 60 5.752 8.221 -0.495 1.00 1.94 O ATOM 953 CB ARG A 60 3.547 9.214 -2.421 1.00 1.59 C ATOM 954 CG ARG A 60 2.791 8.245 -1.525 1.00 1.74 C ATOM 955 CD ARG A 60 1.307 8.571 -1.516 1.00 1.93 C ATOM 956 NE ARG A 60 0.801 8.748 -2.877 1.00 2.28 N ATOM 957 CZ ARG A 60 0.280 7.772 -3.618 1.00 2.83 C ATOM 958 NH1 ARG A 60 0.106 6.561 -3.107 1.00 3.12 N ATOM 959 NH2 ARG A 60 -0.086 8.017 -4.867 1.00 3.60 N ATOM 0 H ARG A 60 4.387 6.842 -2.840 1.00 1.13 H new ATOM 0 HA ARG A 60 5.369 9.513 -3.458 1.00 1.40 H new ATOM 0 HB2 ARG A 60 3.515 10.206 -1.969 1.00 1.59 H new ATOM 0 HB3 ARG A 60 3.029 9.283 -3.378 1.00 1.59 H new ATOM 0 HG2 ARG A 60 2.942 7.224 -1.875 1.00 1.74 H new ATOM 0 HG3 ARG A 60 3.186 8.296 -0.510 1.00 1.74 H new ATOM 0 HD2 ARG A 60 0.758 7.770 -1.021 1.00 1.93 H new ATOM 0 HD3 ARG A 60 1.134 9.479 -0.939 1.00 1.93 H new ATOM 0 HE ARG A 60 0.851 9.681 -3.286 1.00 2.28 H new ATOM 0 HH11 ARG A 60 0.372 6.372 -2.140 1.00 3.12 H new ATOM 0 HH12 ARG A 60 -0.294 5.818 -3.680 1.00 3.12 H new ATOM 0 HH21 ARG A 60 0.032 8.951 -5.259 1.00 3.60 H new ATOM 0 HH22 ARG A 60 -0.485 7.271 -5.437 1.00 3.60 H new ATOM 973 N ALA A 61 6.708 10.044 -1.427 1.00 1.52 N ATOM 974 CA ALA A 61 7.710 10.218 -0.379 1.00 1.79 C ATOM 975 C ALA A 61 8.664 9.026 -0.382 1.00 1.71 C ATOM 976 O ALA A 61 9.005 8.470 0.662 1.00 2.10 O ATOM 977 CB ALA A 61 7.058 10.411 0.990 1.00 1.95 C ATOM 0 H ALA A 61 6.721 10.771 -2.143 1.00 1.52 H new ATOM 0 HA ALA A 61 8.281 11.123 -0.585 1.00 1.79 H new ATOM 0 HB1 ALA A 61 7.832 10.538 1.747 1.00 1.95 H new ATOM 0 HB2 ALA A 61 6.423 11.297 0.969 1.00 1.95 H new ATOM 0 HB3 ALA A 61 6.454 9.537 1.232 1.00 1.95 H new ATOM 983 N GLU A 62 9.086 8.640 -1.584 1.00 1.51 N ATOM 984 CA GLU A 62 9.939 7.489 -1.784 1.00 1.64 C ATOM 985 C GLU A 62 11.345 7.764 -1.297 1.00 1.93 C ATOM 986 O GLU A 62 11.949 6.952 -0.592 1.00 2.42 O ATOM 987 CB GLU A 62 9.993 7.179 -3.270 1.00 1.89 C ATOM 988 CG GLU A 62 10.150 5.717 -3.578 1.00 2.14 C ATOM 989 CD GLU A 62 10.679 5.477 -4.976 1.00 2.57 C ATOM 990 OE1 GLU A 62 9.912 5.663 -5.943 1.00 2.98 O ATOM 991 OE2 GLU A 62 11.853 5.085 -5.119 1.00 2.91 O ATOM 0 H GLU A 62 8.840 9.125 -2.447 1.00 1.51 H new ATOM 0 HA GLU A 62 9.532 6.649 -1.221 1.00 1.64 H new ATOM 0 HB2 GLU A 62 9.081 7.544 -3.741 1.00 1.89 H new ATOM 0 HB3 GLU A 62 10.823 7.726 -3.716 1.00 1.89 H new ATOM 0 HG2 GLU A 62 10.828 5.266 -2.853 1.00 2.14 H new ATOM 0 HG3 GLU A 62 9.187 5.219 -3.466 1.00 2.14 H new ATOM 998 N ARG A 63 11.850 8.925 -1.664 1.00 2.16 N ATOM 999 CA ARG A 63 13.215 9.320 -1.362 1.00 2.69 C ATOM 1000 C ARG A 63 13.292 10.838 -1.295 1.00 2.85 C ATOM 1001 O ARG A 63 13.684 11.512 -2.247 1.00 3.26 O ATOM 1002 CB ARG A 63 14.219 8.757 -2.387 1.00 3.11 C ATOM 1003 CG ARG A 63 13.616 8.287 -3.710 1.00 3.13 C ATOM 1004 CD ARG A 63 13.044 9.428 -4.535 1.00 3.11 C ATOM 1005 NE ARG A 63 12.484 8.942 -5.799 1.00 2.92 N ATOM 1006 CZ ARG A 63 11.832 9.705 -6.679 1.00 3.14 C ATOM 1007 NH1 ARG A 63 11.628 10.992 -6.430 1.00 3.60 N ATOM 1008 NH2 ARG A 63 11.375 9.174 -7.809 1.00 3.44 N ATOM 0 H ARG A 63 11.323 9.627 -2.184 1.00 2.16 H new ATOM 0 HA ARG A 63 13.492 8.899 -0.395 1.00 2.69 H new ATOM 0 HB2 ARG A 63 14.963 9.525 -2.600 1.00 3.11 H new ATOM 0 HB3 ARG A 63 14.746 7.919 -1.930 1.00 3.11 H new ATOM 0 HG2 ARG A 63 14.382 7.773 -4.291 1.00 3.13 H new ATOM 0 HG3 ARG A 63 12.829 7.561 -3.508 1.00 3.13 H new ATOM 0 HD2 ARG A 63 12.269 9.940 -3.964 1.00 3.11 H new ATOM 0 HD3 ARG A 63 13.826 10.160 -4.739 1.00 3.11 H new ATOM 0 HE ARG A 63 12.600 7.953 -6.021 1.00 2.92 H new ATOM 0 HH11 ARG A 63 11.970 11.404 -5.562 1.00 3.60 H new ATOM 0 HH12 ARG A 63 11.129 11.570 -7.107 1.00 3.60 H new ATOM 0 HH21 ARG A 63 11.523 8.184 -8.003 1.00 3.44 H new ATOM 0 HH22 ARG A 63 10.877 9.757 -8.481 1.00 3.44 H new ATOM 1022 N GLU A 64 12.892 11.351 -0.148 1.00 2.76 N ATOM 1023 CA GLU A 64 12.806 12.785 0.099 1.00 3.00 C ATOM 1024 C GLU A 64 12.679 12.995 1.599 1.00 3.08 C ATOM 1025 O GLU A 64 13.134 13.996 2.156 1.00 3.72 O ATOM 1026 CB GLU A 64 11.594 13.382 -0.630 1.00 2.97 C ATOM 1027 CG GLU A 64 11.522 14.902 -0.570 1.00 3.43 C ATOM 1028 CD GLU A 64 10.258 15.455 -1.201 1.00 3.74 C ATOM 1029 OE1 GLU A 64 10.194 15.533 -2.447 1.00 4.07 O ATOM 1030 OE2 GLU A 64 9.316 15.807 -0.455 1.00 4.00 O ATOM 0 H GLU A 64 12.613 10.781 0.651 1.00 2.76 H new ATOM 0 HA GLU A 64 13.698 13.286 -0.277 1.00 3.00 H new ATOM 0 HB2 GLU A 64 11.622 13.071 -1.674 1.00 2.97 H new ATOM 0 HB3 GLU A 64 10.683 12.968 -0.198 1.00 2.97 H new ATOM 0 HG2 GLU A 64 11.574 15.223 0.470 1.00 3.43 H new ATOM 0 HG3 GLU A 64 12.390 15.323 -1.077 1.00 3.43 H new ATOM 1037 N LYS A 65 12.044 12.019 2.234 1.00 2.73 N ATOM 1038 CA LYS A 65 11.993 11.919 3.681 1.00 2.95 C ATOM 1039 C LYS A 65 11.852 10.451 4.062 1.00 2.86 C ATOM 1040 O LYS A 65 10.803 9.847 3.840 1.00 3.37 O ATOM 1041 CB LYS A 65 10.817 12.717 4.256 1.00 3.11 C ATOM 1042 CG LYS A 65 10.777 12.702 5.777 1.00 3.54 C ATOM 1043 CD LYS A 65 9.494 13.302 6.331 1.00 3.77 C ATOM 1044 CE LYS A 65 9.330 14.765 5.948 1.00 3.79 C ATOM 1045 NZ LYS A 65 8.205 15.403 6.684 1.00 4.11 N ATOM 0 H LYS A 65 11.547 11.270 1.753 1.00 2.73 H new ATOM 0 HA LYS A 65 12.911 12.336 4.095 1.00 2.95 H new ATOM 0 HB2 LYS A 65 10.881 13.749 3.910 1.00 3.11 H new ATOM 0 HB3 LYS A 65 9.884 12.308 3.869 1.00 3.11 H new ATOM 0 HG2 LYS A 65 10.876 11.676 6.130 1.00 3.54 H new ATOM 0 HG3 LYS A 65 11.631 13.257 6.165 1.00 3.54 H new ATOM 0 HD2 LYS A 65 8.640 12.734 5.961 1.00 3.77 H new ATOM 0 HD3 LYS A 65 9.492 13.210 7.417 1.00 3.77 H new ATOM 0 HE2 LYS A 65 10.254 15.302 6.159 1.00 3.79 H new ATOM 0 HE3 LYS A 65 9.154 14.843 4.875 1.00 3.79 H new ATOM 0 HZ1 LYS A 65 8.123 16.399 6.397 1.00 4.11 H new ATOM 0 HZ2 LYS A 65 7.319 14.905 6.463 1.00 4.11 H new ATOM 0 HZ3 LYS A 65 8.385 15.351 7.707 1.00 4.11 H new ATOM 1059 N LYS A 66 12.915 9.879 4.602 1.00 2.75 N ATOM 1060 CA LYS A 66 12.926 8.474 4.976 1.00 2.95 C ATOM 1061 C LYS A 66 13.999 8.227 6.031 1.00 3.53 C ATOM 1062 O LYS A 66 13.693 7.597 7.064 1.00 3.96 O ATOM 1063 CB LYS A 66 13.156 7.574 3.749 1.00 2.95 C ATOM 1064 CG LYS A 66 14.425 7.892 2.968 1.00 3.03 C ATOM 1065 CD LYS A 66 14.702 6.838 1.904 1.00 3.31 C ATOM 1066 CE LYS A 66 15.976 7.136 1.130 1.00 3.21 C ATOM 1067 NZ LYS A 66 16.369 6.000 0.251 1.00 3.29 N ATOM 1068 OXT LYS A 66 15.137 8.711 5.843 1.00 4.01 O ATOM 0 H LYS A 66 13.788 10.370 4.793 1.00 2.75 H new ATOM 0 HA LYS A 66 11.952 8.221 5.394 1.00 2.95 H new ATOM 0 HB2 LYS A 66 13.196 6.535 4.077 1.00 2.95 H new ATOM 0 HB3 LYS A 66 12.300 7.665 3.081 1.00 2.95 H new ATOM 0 HG2 LYS A 66 14.328 8.870 2.497 1.00 3.03 H new ATOM 0 HG3 LYS A 66 15.271 7.950 3.653 1.00 3.03 H new ATOM 0 HD2 LYS A 66 14.784 5.859 2.376 1.00 3.31 H new ATOM 0 HD3 LYS A 66 13.860 6.789 1.213 1.00 3.31 H new ATOM 0 HE2 LYS A 66 15.832 8.031 0.525 1.00 3.21 H new ATOM 0 HE3 LYS A 66 16.784 7.351 1.829 1.00 3.21 H new ATOM 0 HZ1 LYS A 66 17.242 6.242 -0.260 1.00 3.29 H new ATOM 0 HZ2 LYS A 66 16.531 5.152 0.831 1.00 3.29 H new ATOM 0 HZ3 LYS A 66 15.609 5.811 -0.433 1.00 3.29 H new TER 1082 LYS A 66