USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 370 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 NoAdj-H: A 42 HIS HD1 : A 42 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD Set 1.1: A 20 TYR OH : rot -98:sc= 0.722 USER MOD Set 1.2: A 49 HIS : no HE2:sc= 0.586 K(o=1.3,f=-0.55) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HE2:sc= -0.367 K(o=-0.37,f=-3.6!) USER MOD Single : A 23 GLN : amide:sc=-0.00445 K(o=-0.0045,f=-0.9) USER MOD Single : A 30 HIS : no HD1:sc= -0.0882 X(o=-0.088,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0.0022) USER MOD Single : A 40 SER OG : rot 180:sc= -0.166 USER MOD Single : A 41 ASN : amide:sc= -0.0282 X(o=-0.028,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 134:sc= 1.54 (180deg=0.544) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 11 3.385 -1.944 0.839 1.00 13.24 N ATOM 2 CA MET A 11 3.283 -1.699 -0.595 1.00 0.24 C ATOM 3 C MET A 11 3.023 -0.222 -0.877 1.00 31.53 C ATOM 4 O MET A 11 2.312 0.448 -0.126 1.00 64.31 O ATOM 5 CB MET A 11 2.166 -2.550 -1.201 1.00 63.53 C ATOM 6 CG MET A 11 0.880 -2.533 -0.391 1.00 24.42 C ATOM 7 SD MET A 11 -0.419 -3.544 -1.128 1.00 5.23 S ATOM 8 CE MET A 11 -0.645 -4.784 0.144 1.00 34.15 C ATOM 0 HA MET A 11 4.232 -1.977 -1.054 1.00 0.24 H new ATOM 0 HB2 MET A 11 1.955 -2.193 -2.209 1.00 63.53 H new ATOM 0 HB3 MET A 11 2.514 -3.579 -1.293 1.00 63.53 H new ATOM 0 HG2 MET A 11 1.086 -2.891 0.618 1.00 24.42 H new ATOM 0 HG3 MET A 11 0.527 -1.506 -0.298 1.00 24.42 H new ATOM 0 HE1 MET A 11 -1.420 -5.486 -0.165 1.00 34.15 H new ATOM 0 HE2 MET A 11 0.291 -5.321 0.299 1.00 34.15 H new ATOM 0 HE3 MET A 11 -0.944 -4.301 1.074 1.00 34.15 H new ATOM 18 N LEU A 12 3.602 0.279 -1.962 1.00 61.31 N ATOM 19 CA LEU A 12 3.433 1.677 -2.343 1.00 71.32 C ATOM 20 C LEU A 12 3.242 1.811 -3.851 1.00 35.25 C ATOM 21 O LEU A 12 4.158 1.546 -4.629 1.00 1.03 O ATOM 22 CB LEU A 12 4.644 2.498 -1.896 1.00 73.23 C ATOM 23 CG LEU A 12 5.239 2.130 -0.536 1.00 52.55 C ATOM 24 CD1 LEU A 12 6.578 2.823 -0.335 1.00 72.02 C ATOM 25 CD2 LEU A 12 4.275 2.494 0.583 1.00 33.23 C ATOM 0 H LEU A 12 4.193 -0.262 -2.594 1.00 61.31 H new ATOM 0 HA LEU A 12 2.540 2.058 -1.847 1.00 71.32 H new ATOM 0 HB2 LEU A 12 5.424 2.398 -2.651 1.00 73.23 H new ATOM 0 HB3 LEU A 12 4.356 3.549 -1.872 1.00 73.23 H new ATOM 0 HG LEU A 12 5.403 1.053 -0.511 1.00 52.55 H new ATOM 0 HD11 LEU A 12 6.987 2.550 0.638 1.00 72.02 H new ATOM 0 HD12 LEU A 12 7.269 2.513 -1.119 1.00 72.02 H new ATOM 0 HD13 LEU A 12 6.439 3.903 -0.380 1.00 72.02 H new ATOM 0 HD21 LEU A 12 4.714 2.225 1.544 1.00 33.23 H new ATOM 0 HD22 LEU A 12 4.080 3.566 0.561 1.00 33.23 H new ATOM 0 HD23 LEU A 12 3.339 1.952 0.448 1.00 33.23 H new ATOM 37 N ASP A 13 2.046 2.225 -4.255 1.00 41.42 N ATOM 38 CA ASP A 13 1.735 2.398 -5.669 1.00 41.34 C ATOM 39 C ASP A 13 0.845 3.618 -5.885 1.00 10.21 C ATOM 40 O ASP A 13 -0.332 3.489 -6.223 1.00 44.33 O ATOM 41 CB ASP A 13 1.049 1.147 -6.219 1.00 54.02 C ATOM 42 CG ASP A 13 1.925 -0.086 -6.117 1.00 74.13 C ATOM 43 OD1 ASP A 13 3.117 0.001 -6.480 1.00 74.23 O ATOM 44 OD2 ASP A 13 1.419 -1.138 -5.674 1.00 15.22 O ATOM 0 H ASP A 13 1.276 2.447 -3.624 1.00 41.42 H new ATOM 0 HA ASP A 13 2.671 2.555 -6.205 1.00 41.34 H new ATOM 0 HB2 ASP A 13 0.121 0.976 -5.674 1.00 54.02 H new ATOM 0 HB3 ASP A 13 0.780 1.313 -7.262 1.00 54.02 H new ATOM 49 N VAL A 14 1.414 4.803 -5.685 1.00 64.34 N ATOM 50 CA VAL A 14 0.673 6.046 -5.858 1.00 11.23 C ATOM 51 C VAL A 14 1.309 6.921 -6.932 1.00 71.23 C ATOM 52 O VAL A 14 1.172 8.143 -6.914 1.00 53.31 O ATOM 53 CB VAL A 14 0.598 6.842 -4.541 1.00 42.22 C ATOM 54 CG1 VAL A 14 1.941 7.485 -4.229 1.00 30.13 C ATOM 55 CG2 VAL A 14 -0.500 7.892 -4.615 1.00 52.05 C ATOM 0 H VAL A 14 2.386 4.928 -5.403 1.00 64.34 H new ATOM 0 HA VAL A 14 -0.336 5.772 -6.167 1.00 11.23 H new ATOM 0 HB VAL A 14 0.355 6.152 -3.733 1.00 42.22 H new ATOM 0 HG11 VAL A 14 1.869 8.043 -3.295 1.00 30.13 H new ATOM 0 HG12 VAL A 14 2.701 6.710 -4.131 1.00 30.13 H new ATOM 0 HG13 VAL A 14 2.216 8.163 -5.037 1.00 30.13 H new ATOM 0 HG21 VAL A 14 -0.539 8.445 -3.676 1.00 52.05 H new ATOM 0 HG22 VAL A 14 -0.290 8.581 -5.433 1.00 52.05 H new ATOM 0 HG23 VAL A 14 -1.459 7.404 -4.788 1.00 52.05 H new ATOM 65 N GLY A 15 2.006 6.285 -7.869 1.00 53.15 N ATOM 66 CA GLY A 15 2.653 7.021 -8.940 1.00 73.21 C ATOM 67 C GLY A 15 2.682 6.245 -10.242 1.00 31.43 C ATOM 68 O GLY A 15 2.638 5.014 -10.241 1.00 50.21 O ATOM 0 H GLY A 15 2.134 5.274 -7.906 1.00 53.15 H new ATOM 0 HA2 GLY A 15 2.131 7.965 -9.095 1.00 73.21 H new ATOM 0 HA3 GLY A 15 3.673 7.266 -8.644 1.00 73.21 H new ATOM 72 N LYS A 16 2.755 6.964 -11.356 1.00 54.23 N ATOM 73 CA LYS A 16 2.789 6.337 -12.672 1.00 21.40 C ATOM 74 C LYS A 16 4.176 6.456 -13.295 1.00 61.15 C ATOM 75 O LYS A 16 4.772 7.534 -13.307 1.00 72.34 O ATOM 76 CB LYS A 16 1.748 6.977 -13.593 1.00 33.34 C ATOM 77 CG LYS A 16 0.690 6.003 -14.084 1.00 1.51 C ATOM 78 CD LYS A 16 -0.297 5.651 -12.984 1.00 32.20 C ATOM 79 CE LYS A 16 -1.734 5.755 -13.471 1.00 35.23 C ATOM 80 NZ LYS A 16 -2.279 7.131 -13.302 1.00 61.54 N ATOM 0 H LYS A 16 2.792 7.983 -11.374 1.00 54.23 H new ATOM 0 HA LYS A 16 2.554 5.280 -12.549 1.00 21.40 H new ATOM 0 HB2 LYS A 16 1.259 7.794 -13.063 1.00 33.34 H new ATOM 0 HB3 LYS A 16 2.255 7.413 -14.453 1.00 33.34 H new ATOM 0 HG2 LYS A 16 0.156 6.440 -14.928 1.00 1.51 H new ATOM 0 HG3 LYS A 16 1.171 5.095 -14.447 1.00 1.51 H new ATOM 0 HD2 LYS A 16 -0.104 4.638 -12.631 1.00 32.20 H new ATOM 0 HD3 LYS A 16 -0.150 6.318 -12.135 1.00 32.20 H new ATOM 0 HE2 LYS A 16 -1.782 5.472 -14.522 1.00 35.23 H new ATOM 0 HE3 LYS A 16 -2.356 5.048 -12.922 1.00 35.23 H new ATOM 0 HZ1 LYS A 16 -3.260 7.160 -13.646 1.00 61.54 H new ATOM 0 HZ2 LYS A 16 -2.257 7.392 -12.296 1.00 61.54 H new ATOM 0 HZ3 LYS A 16 -1.701 7.803 -13.847 1.00 61.54 H new ATOM 94 N HIS A 17 4.685 5.343 -13.814 1.00 74.32 N ATOM 95 CA HIS A 17 6.001 5.324 -14.442 1.00 22.43 C ATOM 96 C HIS A 17 5.920 5.802 -15.888 1.00 65.44 C ATOM 97 O HIS A 17 4.998 5.443 -16.621 1.00 51.40 O ATOM 98 CB HIS A 17 6.594 3.915 -14.390 1.00 52.11 C ATOM 99 CG HIS A 17 6.446 3.252 -13.055 1.00 70.45 C ATOM 100 ND1 HIS A 17 5.254 2.725 -12.605 1.00 21.41 N ATOM 101 CD2 HIS A 17 7.349 3.030 -12.072 1.00 64.43 C ATOM 102 CE1 HIS A 17 5.430 2.209 -11.402 1.00 24.44 C ATOM 103 NE2 HIS A 17 6.693 2.380 -11.056 1.00 5.24 N ATOM 0 H HIS A 17 4.206 4.443 -13.812 1.00 74.32 H new ATOM 0 HA HIS A 17 6.650 6.004 -13.890 1.00 22.43 H new ATOM 0 HB2 HIS A 17 6.111 3.298 -15.148 1.00 52.11 H new ATOM 0 HB3 HIS A 17 7.652 3.965 -14.646 1.00 52.11 H new ATOM 0 HD1 HIS A 17 4.374 2.732 -13.121 1.00 21.41 H new ATOM 0 HD2 HIS A 17 8.392 3.312 -12.084 1.00 64.43 H new ATOM 0 HE1 HIS A 17 4.670 1.729 -10.803 1.00 24.44 H new ATOM 111 N CYS A 18 6.892 6.613 -16.293 1.00 53.13 N ATOM 112 CA CYS A 18 6.931 7.142 -17.651 1.00 73.34 C ATOM 113 C CYS A 18 6.802 6.018 -18.676 1.00 45.33 C ATOM 114 O CYS A 18 7.257 4.898 -18.445 1.00 15.32 O ATOM 115 CB CYS A 18 8.232 7.913 -17.884 1.00 35.22 C ATOM 116 SG CYS A 18 8.211 8.977 -19.362 1.00 63.44 S ATOM 0 H CYS A 18 7.663 6.918 -15.700 1.00 53.13 H new ATOM 0 HA CYS A 18 6.088 7.821 -17.774 1.00 73.34 H new ATOM 0 HB2 CYS A 18 8.438 8.529 -17.009 1.00 35.22 H new ATOM 0 HB3 CYS A 18 9.053 7.201 -17.973 1.00 35.22 H new ATOM 121 N ALA A 19 6.181 6.327 -19.810 1.00 11.13 N ATOM 122 CA ALA A 19 5.995 5.345 -20.871 1.00 12.32 C ATOM 123 C ALA A 19 7.051 5.506 -21.959 1.00 11.10 C ATOM 124 O ALA A 19 6.901 4.986 -23.065 1.00 21.33 O ATOM 125 CB ALA A 19 4.599 5.468 -21.465 1.00 4.13 C ATOM 0 H ALA A 19 5.798 7.250 -20.017 1.00 11.13 H new ATOM 0 HA ALA A 19 6.107 4.352 -20.437 1.00 12.32 H new ATOM 0 HB1 ALA A 19 4.474 4.729 -22.256 1.00 4.13 H new ATOM 0 HB2 ALA A 19 3.856 5.296 -20.686 1.00 4.13 H new ATOM 0 HB3 ALA A 19 4.466 6.468 -21.878 1.00 4.13 H new ATOM 131 N TYR A 20 8.118 6.230 -21.639 1.00 32.21 N ATOM 132 CA TYR A 20 9.198 6.462 -22.591 1.00 34.33 C ATOM 133 C TYR A 20 10.554 6.166 -21.958 1.00 42.22 C ATOM 134 O TYR A 20 11.438 5.593 -22.595 1.00 61.35 O ATOM 135 CB TYR A 20 9.161 7.906 -23.094 1.00 32.30 C ATOM 136 CG TYR A 20 9.986 8.134 -24.340 1.00 63.10 C ATOM 137 CD1 TYR A 20 11.224 8.761 -24.272 1.00 50.32 C ATOM 138 CD2 TYR A 20 9.529 7.721 -25.585 1.00 55.14 C ATOM 139 CE1 TYR A 20 11.981 8.972 -25.408 1.00 50.52 C ATOM 140 CE2 TYR A 20 10.279 7.927 -26.727 1.00 25.24 C ATOM 141 CZ TYR A 20 11.505 8.553 -26.633 1.00 13.31 C ATOM 142 OH TYR A 20 12.256 8.761 -27.767 1.00 24.53 O ATOM 0 H TYR A 20 8.258 6.666 -20.728 1.00 32.21 H new ATOM 0 HA TYR A 20 9.056 5.787 -23.435 1.00 34.33 H new ATOM 0 HB2 TYR A 20 8.127 8.185 -23.297 1.00 32.30 H new ATOM 0 HB3 TYR A 20 9.520 8.566 -22.305 1.00 32.30 H new ATOM 0 HD1 TYR A 20 11.601 9.089 -23.315 1.00 50.32 H new ATOM 0 HD2 TYR A 20 8.570 7.230 -25.662 1.00 55.14 H new ATOM 0 HE1 TYR A 20 12.941 9.462 -25.337 1.00 50.52 H new ATOM 0 HE2 TYR A 20 9.908 7.600 -27.687 1.00 25.24 H new ATOM 0 HH TYR A 20 11.941 9.568 -28.225 1.00 24.53 H new ATOM 152 N CYS A 21 10.711 6.562 -20.699 1.00 64.25 N ATOM 153 CA CYS A 21 11.959 6.341 -19.978 1.00 33.41 C ATOM 154 C CYS A 21 11.743 5.404 -18.792 1.00 53.44 C ATOM 155 O CYS A 21 12.697 4.869 -18.229 1.00 5.43 O ATOM 156 CB CYS A 21 12.534 7.672 -19.492 1.00 43.31 C ATOM 157 SG CYS A 21 11.738 8.322 -17.988 1.00 72.10 S ATOM 0 H CYS A 21 9.989 7.038 -20.157 1.00 64.25 H new ATOM 0 HA CYS A 21 12.668 5.875 -20.663 1.00 33.41 H new ATOM 0 HB2 CYS A 21 13.600 7.547 -19.301 1.00 43.31 H new ATOM 0 HB3 CYS A 21 12.438 8.410 -20.289 1.00 43.31 H new ATOM 162 N ARG A 22 10.482 5.212 -18.420 1.00 74.40 N ATOM 163 CA ARG A 22 10.140 4.341 -17.301 1.00 52.34 C ATOM 164 C ARG A 22 10.712 4.884 -15.995 1.00 42.34 C ATOM 165 O ARG A 22 11.589 4.270 -15.389 1.00 31.24 O ATOM 166 CB ARG A 22 10.663 2.926 -17.551 1.00 24.44 C ATOM 167 CG ARG A 22 10.254 2.353 -18.898 1.00 11.13 C ATOM 168 CD ARG A 22 9.270 1.205 -18.739 1.00 71.40 C ATOM 169 NE ARG A 22 9.895 -0.091 -18.994 1.00 54.40 N ATOM 170 CZ ARG A 22 10.266 -0.503 -20.201 1.00 55.32 C ATOM 171 NH1 ARG A 22 10.076 0.275 -21.258 1.00 52.01 N ATOM 172 NH2 ARG A 22 10.828 -1.695 -20.353 1.00 10.12 N ATOM 0 H ARG A 22 9.680 5.647 -18.876 1.00 74.40 H new ATOM 0 HA ARG A 22 9.054 4.309 -17.216 1.00 52.34 H new ATOM 0 HB2 ARG A 22 11.751 2.933 -17.484 1.00 24.44 H new ATOM 0 HB3 ARG A 22 10.300 2.269 -16.761 1.00 24.44 H new ATOM 0 HG2 ARG A 22 9.804 3.137 -19.507 1.00 11.13 H new ATOM 0 HG3 ARG A 22 11.139 2.004 -19.430 1.00 11.13 H new ATOM 0 HD2 ARG A 22 8.859 1.217 -17.729 1.00 71.40 H new ATOM 0 HD3 ARG A 22 8.435 1.346 -19.425 1.00 71.40 H new ATOM 0 HE ARG A 22 10.055 -0.713 -18.202 1.00 54.40 H new ATOM 0 HH11 ARG A 22 9.644 1.192 -21.145 1.00 52.01 H new ATOM 0 HH12 ARG A 22 10.362 -0.044 -22.184 1.00 52.01 H new ATOM 0 HH21 ARG A 22 10.976 -2.296 -19.542 1.00 10.12 H new ATOM 0 HH22 ARG A 22 11.112 -2.010 -21.280 1.00 10.12 H new ATOM 186 N GLN A 23 10.210 6.039 -15.570 1.00 43.22 N ATOM 187 CA GLN A 23 10.673 6.665 -14.337 1.00 60.02 C ATOM 188 C GLN A 23 9.530 6.810 -13.338 1.00 30.30 C ATOM 189 O GLN A 23 8.551 7.511 -13.596 1.00 73.11 O ATOM 190 CB GLN A 23 11.283 8.036 -14.634 1.00 24.20 C ATOM 191 CG GLN A 23 11.579 8.853 -13.387 1.00 13.22 C ATOM 192 CD GLN A 23 12.675 9.877 -13.606 1.00 51.11 C ATOM 193 OE1 GLN A 23 13.058 10.160 -14.742 1.00 24.44 O ATOM 194 NE2 GLN A 23 13.186 10.440 -12.517 1.00 61.14 N ATOM 0 H GLN A 23 9.483 6.560 -16.061 1.00 43.22 H new ATOM 0 HA GLN A 23 11.436 6.023 -13.898 1.00 60.02 H new ATOM 0 HB2 GLN A 23 12.207 7.899 -15.196 1.00 24.20 H new ATOM 0 HB3 GLN A 23 10.601 8.597 -15.273 1.00 24.20 H new ATOM 0 HG2 GLN A 23 10.670 9.362 -13.067 1.00 13.22 H new ATOM 0 HG3 GLN A 23 11.870 8.182 -12.579 1.00 13.22 H new ATOM 0 HE21 GLN A 23 12.839 10.176 -11.595 1.00 61.14 H new ATOM 0 HE22 GLN A 23 13.926 11.137 -12.602 1.00 61.14 H new ATOM 203 N LEU A 24 9.661 6.142 -12.197 1.00 15.53 N ATOM 204 CA LEU A 24 8.638 6.196 -11.158 1.00 10.33 C ATOM 205 C LEU A 24 8.501 7.610 -10.602 1.00 13.04 C ATOM 206 O LEU A 24 9.377 8.094 -9.885 1.00 20.32 O ATOM 207 CB LEU A 24 8.979 5.223 -10.028 1.00 72.42 C ATOM 208 CG LEU A 24 7.825 4.840 -9.101 1.00 11.23 C ATOM 209 CD1 LEU A 24 8.141 3.551 -8.359 1.00 21.21 C ATOM 210 CD2 LEU A 24 7.535 5.965 -8.118 1.00 51.52 C ATOM 0 H LEU A 24 10.465 5.557 -11.968 1.00 15.53 H new ATOM 0 HA LEU A 24 7.687 5.907 -11.604 1.00 10.33 H new ATOM 0 HB2 LEU A 24 9.382 4.311 -10.470 1.00 72.42 H new ATOM 0 HB3 LEU A 24 9.773 5.663 -9.424 1.00 72.42 H new ATOM 0 HG LEU A 24 6.935 4.676 -9.709 1.00 11.23 H new ATOM 0 HD11 LEU A 24 7.308 3.295 -7.704 1.00 21.21 H new ATOM 0 HD12 LEU A 24 8.299 2.747 -9.078 1.00 21.21 H new ATOM 0 HD13 LEU A 24 9.043 3.686 -7.762 1.00 21.21 H new ATOM 0 HD21 LEU A 24 6.711 5.675 -7.466 1.00 51.52 H new ATOM 0 HD22 LEU A 24 8.423 6.160 -7.516 1.00 51.52 H new ATOM 0 HD23 LEU A 24 7.264 6.867 -8.667 1.00 51.52 H new ATOM 222 N ASP A 25 7.395 8.266 -10.935 1.00 11.40 N ATOM 223 CA ASP A 25 7.141 9.624 -10.466 1.00 72.33 C ATOM 224 C ASP A 25 5.882 9.675 -9.606 1.00 73.14 C ATOM 225 O ASP A 25 5.018 8.803 -9.700 1.00 34.10 O ATOM 226 CB ASP A 25 7.002 10.578 -11.653 1.00 51.32 C ATOM 227 CG ASP A 25 8.239 11.430 -11.859 1.00 12.53 C ATOM 228 OD1 ASP A 25 8.116 12.520 -12.456 1.00 44.44 O ATOM 229 OD2 ASP A 25 9.329 11.008 -11.421 1.00 22.00 O ATOM 0 H ASP A 25 6.660 7.880 -11.528 1.00 11.40 H new ATOM 0 HA ASP A 25 7.989 9.936 -9.856 1.00 72.33 H new ATOM 0 HB2 ASP A 25 6.806 10.002 -12.557 1.00 51.32 H new ATOM 0 HB3 ASP A 25 6.140 11.226 -11.495 1.00 51.32 H new ATOM 234 N PHE A 26 5.785 10.702 -8.768 1.00 62.51 N ATOM 235 CA PHE A 26 4.633 10.865 -7.890 1.00 11.53 C ATOM 236 C PHE A 26 3.517 11.632 -8.594 1.00 31.23 C ATOM 237 O PHE A 26 2.336 11.327 -8.424 1.00 14.14 O ATOM 238 CB PHE A 26 5.041 11.598 -6.610 1.00 32.34 C ATOM 239 CG PHE A 26 6.302 11.066 -5.991 1.00 1.20 C ATOM 240 CD1 PHE A 26 7.541 11.513 -6.420 1.00 24.10 C ATOM 241 CD2 PHE A 26 6.248 10.119 -4.981 1.00 2.43 C ATOM 242 CE1 PHE A 26 8.704 11.026 -5.853 1.00 1.24 C ATOM 243 CE2 PHE A 26 7.407 9.629 -4.409 1.00 43.44 C ATOM 244 CZ PHE A 26 8.637 10.082 -4.847 1.00 12.34 C ATOM 0 H PHE A 26 6.490 11.433 -8.679 1.00 62.51 H new ATOM 0 HA PHE A 26 4.262 9.874 -7.631 1.00 11.53 H new ATOM 0 HB2 PHE A 26 5.174 12.657 -6.834 1.00 32.34 H new ATOM 0 HB3 PHE A 26 4.231 11.525 -5.885 1.00 32.34 H new ATOM 0 HD1 PHE A 26 7.599 12.251 -7.207 1.00 24.10 H new ATOM 0 HD2 PHE A 26 5.289 9.760 -4.637 1.00 2.43 H new ATOM 0 HE1 PHE A 26 9.664 11.383 -6.196 1.00 1.24 H new ATOM 0 HE2 PHE A 26 7.351 8.893 -3.621 1.00 43.44 H new ATOM 0 HZ PHE A 26 9.544 9.699 -4.404 1.00 12.34 H new ATOM 254 N LEU A 27 3.900 12.628 -9.384 1.00 54.34 N ATOM 255 CA LEU A 27 2.932 13.440 -10.115 1.00 3.11 C ATOM 256 C LEU A 27 3.021 13.175 -11.614 1.00 43.35 C ATOM 257 O LEU A 27 3.654 13.919 -12.365 1.00 23.44 O ATOM 258 CB LEU A 27 3.167 14.925 -9.833 1.00 11.10 C ATOM 259 CG LEU A 27 4.622 15.394 -9.869 1.00 61.52 C ATOM 260 CD1 LEU A 27 4.769 16.608 -10.772 1.00 44.40 C ATOM 261 CD2 LEU A 27 5.116 15.707 -8.465 1.00 4.44 C ATOM 0 H LEU A 27 4.873 12.893 -9.535 1.00 54.34 H new ATOM 0 HA LEU A 27 1.933 13.165 -9.775 1.00 3.11 H new ATOM 0 HB2 LEU A 27 2.601 15.506 -10.561 1.00 11.10 H new ATOM 0 HB3 LEU A 27 2.756 15.157 -8.851 1.00 11.10 H new ATOM 0 HG LEU A 27 5.234 14.589 -10.276 1.00 61.52 H new ATOM 0 HD11 LEU A 27 5.811 16.928 -10.785 1.00 44.40 H new ATOM 0 HD12 LEU A 27 4.456 16.349 -11.783 1.00 44.40 H new ATOM 0 HD13 LEU A 27 4.146 17.419 -10.396 1.00 44.40 H new ATOM 0 HD21 LEU A 27 6.153 16.039 -8.510 1.00 4.44 H new ATOM 0 HD22 LEU A 27 4.501 16.495 -8.030 1.00 4.44 H new ATOM 0 HD23 LEU A 27 5.048 14.811 -7.847 1.00 4.44 H new ATOM 273 N PRO A 28 2.371 12.092 -12.064 1.00 33.21 N ATOM 274 CA PRO A 28 2.359 11.705 -13.478 1.00 11.41 C ATOM 275 C PRO A 28 1.547 12.670 -14.336 1.00 32.23 C ATOM 276 O PRO A 28 0.402 12.990 -14.014 1.00 23.51 O ATOM 277 CB PRO A 28 1.704 10.322 -13.462 1.00 52.12 C ATOM 278 CG PRO A 28 0.865 10.314 -12.231 1.00 53.32 C ATOM 279 CD PRO A 28 1.596 11.161 -11.226 1.00 71.13 C ATOM 0 HA PRO A 28 3.359 11.712 -13.911 1.00 11.41 H new ATOM 0 HB2 PRO A 28 1.099 10.160 -14.354 1.00 52.12 H new ATOM 0 HB3 PRO A 28 2.452 9.530 -13.436 1.00 52.12 H new ATOM 0 HG2 PRO A 28 -0.128 10.717 -12.433 1.00 53.32 H new ATOM 0 HG3 PRO A 28 0.727 9.299 -11.859 1.00 53.32 H new ATOM 0 HD2 PRO A 28 0.906 11.691 -10.569 1.00 71.13 H new ATOM 0 HD3 PRO A 28 2.244 10.559 -10.589 1.00 71.13 H new ATOM 287 N PHE A 29 2.146 13.130 -15.429 1.00 52.00 N ATOM 288 CA PHE A 29 1.478 14.059 -16.333 1.00 73.33 C ATOM 289 C PHE A 29 0.592 13.310 -17.325 1.00 0.10 C ATOM 290 O PHE A 29 1.085 12.600 -18.202 1.00 22.22 O ATOM 291 CB PHE A 29 2.509 14.900 -17.088 1.00 2.23 C ATOM 292 CG PHE A 29 2.934 16.135 -16.345 1.00 60.14 C ATOM 293 CD1 PHE A 29 2.329 17.355 -16.601 1.00 4.23 C ATOM 294 CD2 PHE A 29 3.938 16.075 -15.392 1.00 14.20 C ATOM 295 CE1 PHE A 29 2.719 18.493 -15.920 1.00 21.14 C ATOM 296 CE2 PHE A 29 4.331 17.210 -14.707 1.00 63.43 C ATOM 297 CZ PHE A 29 3.720 18.420 -14.971 1.00 23.21 C ATOM 0 H PHE A 29 3.093 12.875 -15.710 1.00 52.00 H new ATOM 0 HA PHE A 29 0.849 14.719 -15.736 1.00 73.33 H new ATOM 0 HB2 PHE A 29 3.387 14.287 -17.291 1.00 2.23 H new ATOM 0 HB3 PHE A 29 2.093 15.191 -18.053 1.00 2.23 H new ATOM 0 HD1 PHE A 29 1.544 17.417 -17.340 1.00 4.23 H new ATOM 0 HD2 PHE A 29 4.419 15.131 -15.182 1.00 14.20 H new ATOM 0 HE1 PHE A 29 2.241 19.439 -16.130 1.00 21.14 H new ATOM 0 HE2 PHE A 29 5.115 17.150 -13.966 1.00 63.43 H new ATOM 0 HZ PHE A 29 4.024 19.308 -14.436 1.00 23.21 H new ATOM 307 N HIS A 30 -0.719 13.474 -17.179 1.00 70.12 N ATOM 308 CA HIS A 30 -1.675 12.814 -18.062 1.00 2.04 C ATOM 309 C HIS A 30 -1.915 13.643 -19.320 1.00 11.45 C ATOM 310 O HIS A 30 -2.344 14.795 -19.244 1.00 0.21 O ATOM 311 CB HIS A 30 -2.997 12.579 -17.331 1.00 73.13 C ATOM 312 CG HIS A 30 -4.069 12.003 -18.204 1.00 73.31 C ATOM 313 ND1 HIS A 30 -4.274 10.647 -18.349 1.00 63.23 N ATOM 314 CD2 HIS A 30 -5.000 12.607 -18.979 1.00 14.14 C ATOM 315 CE1 HIS A 30 -5.283 10.442 -19.177 1.00 21.02 C ATOM 316 NE2 HIS A 30 -5.742 11.616 -19.573 1.00 21.54 N ATOM 0 H HIS A 30 -1.144 14.058 -16.458 1.00 70.12 H new ATOM 0 HA HIS A 30 -1.256 11.852 -18.357 1.00 2.04 H new ATOM 0 HB2 HIS A 30 -2.824 11.907 -16.491 1.00 73.13 H new ATOM 0 HB3 HIS A 30 -3.346 13.524 -16.916 1.00 73.13 H new ATOM 0 HD2 HIS A 30 -5.134 13.671 -19.107 1.00 14.14 H new ATOM 0 HE1 HIS A 30 -5.667 9.479 -19.479 1.00 21.02 H new ATOM 0 HE2 HIS A 30 -6.521 11.762 -20.215 1.00 21.54 H new ATOM 324 N CYS A 31 -1.635 13.051 -20.475 1.00 73.35 N ATOM 325 CA CYS A 31 -1.820 13.734 -21.750 1.00 45.10 C ATOM 326 C CYS A 31 -3.255 13.582 -22.246 1.00 45.23 C ATOM 327 O CYS A 31 -3.792 12.476 -22.293 1.00 34.01 O ATOM 328 CB CYS A 31 -0.846 13.182 -22.794 1.00 12.54 C ATOM 329 SG CYS A 31 -0.173 14.444 -23.922 1.00 61.24 S ATOM 0 H CYS A 31 -1.279 12.099 -20.555 1.00 73.35 H new ATOM 0 HA CYS A 31 -1.618 14.794 -21.598 1.00 45.10 H new ATOM 0 HB2 CYS A 31 -0.019 12.691 -22.281 1.00 12.54 H new ATOM 0 HB3 CYS A 31 -1.355 12.418 -23.382 1.00 12.54 H new ATOM 334 N SER A 32 -3.868 14.702 -22.616 1.00 75.43 N ATOM 335 CA SER A 32 -5.242 14.694 -23.106 1.00 10.11 C ATOM 336 C SER A 32 -5.276 14.590 -24.628 1.00 2.44 C ATOM 337 O SER A 32 -6.279 14.919 -25.262 1.00 21.53 O ATOM 338 CB SER A 32 -5.974 15.959 -22.653 1.00 71.11 C ATOM 339 OG SER A 32 -7.307 15.667 -22.271 1.00 53.44 O ATOM 0 H SER A 32 -3.436 15.625 -22.586 1.00 75.43 H new ATOM 0 HA SER A 32 -5.746 13.822 -22.689 1.00 10.11 H new ATOM 0 HB2 SER A 32 -5.443 16.410 -21.815 1.00 71.11 H new ATOM 0 HB3 SER A 32 -5.976 16.691 -23.461 1.00 71.11 H new ATOM 0 HG SER A 32 -7.753 16.491 -21.984 1.00 53.44 H new ATOM 345 N PHE A 33 -4.172 14.132 -25.208 1.00 23.23 N ATOM 346 CA PHE A 33 -4.073 13.985 -26.655 1.00 41.22 C ATOM 347 C PHE A 33 -3.841 12.527 -27.040 1.00 24.13 C ATOM 348 O PHE A 33 -4.502 11.995 -27.932 1.00 13.04 O ATOM 349 CB PHE A 33 -2.939 14.855 -27.201 1.00 43.20 C ATOM 350 CG PHE A 33 -2.861 16.211 -26.559 1.00 60.11 C ATOM 351 CD1 PHE A 33 -4.009 16.956 -26.342 1.00 44.34 C ATOM 352 CD2 PHE A 33 -1.640 16.740 -26.173 1.00 10.02 C ATOM 353 CE1 PHE A 33 -3.941 18.204 -25.752 1.00 4.04 C ATOM 354 CE2 PHE A 33 -1.566 17.987 -25.581 1.00 61.21 C ATOM 355 CZ PHE A 33 -2.717 18.720 -25.371 1.00 54.34 C ATOM 0 H PHE A 33 -3.333 13.856 -24.698 1.00 23.23 H new ATOM 0 HA PHE A 33 -5.016 14.312 -27.093 1.00 41.22 H new ATOM 0 HB2 PHE A 33 -1.991 14.337 -27.054 1.00 43.20 H new ATOM 0 HB3 PHE A 33 -3.071 14.978 -28.276 1.00 43.20 H new ATOM 0 HD1 PHE A 33 -4.968 16.557 -26.637 1.00 44.34 H new ATOM 0 HD2 PHE A 33 -0.736 16.172 -26.336 1.00 10.02 H new ATOM 0 HE1 PHE A 33 -4.843 18.775 -25.589 1.00 4.04 H new ATOM 0 HE2 PHE A 33 -0.608 18.388 -25.283 1.00 61.21 H new ATOM 0 HZ PHE A 33 -2.661 19.695 -24.910 1.00 54.34 H new ATOM 365 N CYS A 34 -2.895 11.886 -26.361 1.00 34.34 N ATOM 366 CA CYS A 34 -2.573 10.490 -26.630 1.00 33.41 C ATOM 367 C CYS A 34 -3.107 9.585 -25.523 1.00 23.02 C ATOM 368 O CYS A 34 -3.212 8.372 -25.696 1.00 34.42 O ATOM 369 CB CYS A 34 -1.060 10.311 -26.765 1.00 62.41 C ATOM 370 SG CYS A 34 -0.124 10.735 -25.261 1.00 63.20 S ATOM 0 H CYS A 34 -2.338 12.312 -25.620 1.00 34.34 H new ATOM 0 HA CYS A 34 -3.051 10.207 -27.568 1.00 33.41 H new ATOM 0 HB2 CYS A 34 -0.850 9.275 -27.031 1.00 62.41 H new ATOM 0 HB3 CYS A 34 -0.704 10.930 -27.588 1.00 62.41 H new ATOM 375 N ASN A 35 -3.441 10.186 -24.385 1.00 74.53 N ATOM 376 CA ASN A 35 -3.964 9.435 -23.249 1.00 64.44 C ATOM 377 C ASN A 35 -2.893 8.518 -22.664 1.00 51.45 C ATOM 378 O ASN A 35 -3.058 7.300 -22.628 1.00 34.33 O ATOM 379 CB ASN A 35 -5.181 8.610 -23.673 1.00 22.21 C ATOM 380 CG ASN A 35 -6.177 8.427 -22.544 1.00 4.22 C ATOM 381 OD1 ASN A 35 -6.029 7.534 -21.710 1.00 35.41 O ATOM 382 ND2 ASN A 35 -7.198 9.276 -22.513 1.00 24.24 N ATOM 0 H ASN A 35 -3.359 11.190 -24.225 1.00 74.53 H new ATOM 0 HA ASN A 35 -4.266 10.148 -22.482 1.00 64.44 H new ATOM 0 HB2 ASN A 35 -5.674 9.100 -24.513 1.00 22.21 H new ATOM 0 HB3 ASN A 35 -4.850 7.633 -24.024 1.00 22.21 H new ATOM 0 HD21 ASN A 35 -7.900 9.203 -21.776 1.00 24.24 H new ATOM 0 HD22 ASN A 35 -7.280 10.001 -23.226 1.00 24.24 H new ATOM 389 N GLU A 36 -1.796 9.115 -22.208 1.00 32.00 N ATOM 390 CA GLU A 36 -0.699 8.352 -21.625 1.00 62.00 C ATOM 391 C GLU A 36 -0.013 9.146 -20.517 1.00 21.43 C ATOM 392 O GLU A 36 -0.037 10.376 -20.514 1.00 14.54 O ATOM 393 CB GLU A 36 0.320 7.976 -22.703 1.00 75.23 C ATOM 394 CG GLU A 36 -0.152 6.864 -23.625 1.00 34.22 C ATOM 395 CD GLU A 36 0.906 5.800 -23.845 1.00 54.10 C ATOM 396 OE1 GLU A 36 0.719 4.668 -23.353 1.00 32.52 O ATOM 397 OE2 GLU A 36 1.920 6.100 -24.509 1.00 31.23 O ATOM 0 H GLU A 36 -1.644 10.123 -22.231 1.00 32.00 H new ATOM 0 HA GLU A 36 -1.113 7.441 -21.193 1.00 62.00 H new ATOM 0 HB2 GLU A 36 0.548 8.859 -23.300 1.00 75.23 H new ATOM 0 HB3 GLU A 36 1.248 7.668 -22.222 1.00 75.23 H new ATOM 0 HG2 GLU A 36 -1.045 6.402 -23.203 1.00 34.22 H new ATOM 0 HG3 GLU A 36 -0.438 7.291 -24.586 1.00 34.22 H new ATOM 404 N ASP A 37 0.598 8.432 -19.577 1.00 73.13 N ATOM 405 CA ASP A 37 1.291 9.068 -18.463 1.00 42.24 C ATOM 406 C ASP A 37 2.790 9.155 -18.734 1.00 71.15 C ATOM 407 O ASP A 37 3.383 8.236 -19.299 1.00 63.14 O ATOM 408 CB ASP A 37 1.038 8.294 -17.169 1.00 4.55 C ATOM 409 CG ASP A 37 -0.383 8.454 -16.667 1.00 13.22 C ATOM 410 OD1 ASP A 37 -0.710 9.542 -16.149 1.00 55.20 O ATOM 411 OD2 ASP A 37 -1.168 7.491 -16.791 1.00 35.20 O ATOM 0 H ASP A 37 0.627 7.412 -19.565 1.00 73.13 H new ATOM 0 HA ASP A 37 0.901 10.080 -18.354 1.00 42.24 H new ATOM 0 HB2 ASP A 37 1.245 7.237 -17.335 1.00 4.55 H new ATOM 0 HB3 ASP A 37 1.732 8.638 -16.402 1.00 4.55 H new ATOM 416 N PHE A 38 3.396 10.266 -18.329 1.00 21.31 N ATOM 417 CA PHE A 38 4.825 10.474 -18.530 1.00 24.31 C ATOM 418 C PHE A 38 5.406 11.360 -17.432 1.00 12.03 C ATOM 419 O PHE A 38 4.806 12.364 -17.046 1.00 51.04 O ATOM 420 CB PHE A 38 5.083 11.105 -19.900 1.00 31.13 C ATOM 421 CG PHE A 38 4.481 10.332 -21.038 1.00 42.15 C ATOM 422 CD1 PHE A 38 5.093 9.183 -21.513 1.00 34.22 C ATOM 423 CD2 PHE A 38 3.304 10.755 -21.635 1.00 4.40 C ATOM 424 CE1 PHE A 38 4.541 8.469 -22.560 1.00 43.13 C ATOM 425 CE2 PHE A 38 2.748 10.046 -22.682 1.00 63.34 C ATOM 426 CZ PHE A 38 3.368 8.902 -23.147 1.00 21.15 C ATOM 0 H PHE A 38 2.920 11.036 -17.860 1.00 21.31 H new ATOM 0 HA PHE A 38 5.317 9.502 -18.487 1.00 24.31 H new ATOM 0 HB2 PHE A 38 4.681 12.118 -19.906 1.00 31.13 H new ATOM 0 HB3 PHE A 38 6.159 11.188 -20.056 1.00 31.13 H new ATOM 0 HD1 PHE A 38 6.012 8.841 -21.060 1.00 34.22 H new ATOM 0 HD2 PHE A 38 2.816 11.650 -21.277 1.00 4.40 H new ATOM 0 HE1 PHE A 38 5.026 7.573 -22.919 1.00 43.13 H new ATOM 0 HE2 PHE A 38 1.829 10.386 -23.137 1.00 63.34 H new ATOM 0 HZ PHE A 38 2.937 8.348 -23.967 1.00 21.15 H new ATOM 436 N CYS A 39 6.577 10.981 -16.931 1.00 51.21 N ATOM 437 CA CYS A 39 7.240 11.739 -15.877 1.00 14.12 C ATOM 438 C CYS A 39 7.312 13.221 -16.235 1.00 71.31 C ATOM 439 O CYS A 39 7.206 13.593 -17.404 1.00 14.25 O ATOM 440 CB CYS A 39 8.648 11.192 -15.635 1.00 11.32 C ATOM 441 SG CYS A 39 9.859 11.668 -16.910 1.00 22.52 S ATOM 0 H CYS A 39 7.087 10.153 -17.238 1.00 51.21 H new ATOM 0 HA CYS A 39 6.654 11.632 -14.964 1.00 14.12 H new ATOM 0 HB2 CYS A 39 9.001 11.542 -14.665 1.00 11.32 H new ATOM 0 HB3 CYS A 39 8.600 10.104 -15.583 1.00 11.32 H new ATOM 446 N SER A 40 7.494 14.061 -15.221 1.00 72.23 N ATOM 447 CA SER A 40 7.577 15.502 -15.428 1.00 71.13 C ATOM 448 C SER A 40 8.638 15.841 -16.471 1.00 22.34 C ATOM 449 O SER A 40 8.483 16.783 -17.246 1.00 63.24 O ATOM 450 CB SER A 40 7.896 16.210 -14.110 1.00 51.13 C ATOM 451 OG SER A 40 7.954 17.615 -14.287 1.00 71.12 O ATOM 0 H SER A 40 7.587 13.769 -14.248 1.00 72.23 H new ATOM 0 HA SER A 40 6.610 15.848 -15.793 1.00 71.13 H new ATOM 0 HB2 SER A 40 7.136 15.965 -13.369 1.00 51.13 H new ATOM 0 HB3 SER A 40 8.848 15.850 -13.721 1.00 51.13 H new ATOM 0 HG SER A 40 8.158 18.045 -13.430 1.00 71.12 H new ATOM 457 N ASN A 41 9.717 15.064 -16.481 1.00 40.44 N ATOM 458 CA ASN A 41 10.805 15.282 -17.427 1.00 65.55 C ATOM 459 C ASN A 41 10.324 15.095 -18.863 1.00 53.00 C ATOM 460 O ASN A 41 10.866 15.691 -19.794 1.00 3.41 O ATOM 461 CB ASN A 41 11.961 14.322 -17.137 1.00 31.34 C ATOM 462 CG ASN A 41 13.317 14.969 -17.344 1.00 15.12 C ATOM 463 OD1 ASN A 41 14.072 14.582 -18.236 1.00 12.23 O ATOM 464 ND2 ASN A 41 13.631 15.960 -16.518 1.00 51.51 N ATOM 0 H ASN A 41 9.861 14.279 -15.846 1.00 40.44 H new ATOM 0 HA ASN A 41 11.154 16.308 -17.310 1.00 65.55 H new ATOM 0 HB2 ASN A 41 11.885 13.966 -16.110 1.00 31.34 H new ATOM 0 HB3 ASN A 41 11.876 13.449 -17.784 1.00 31.34 H new ATOM 0 HD21 ASN A 41 14.530 16.434 -16.609 1.00 51.51 H new ATOM 0 HD22 ASN A 41 12.974 16.247 -15.793 1.00 51.51 H new ATOM 471 N HIS A 42 9.301 14.264 -19.035 1.00 31.50 N ATOM 472 CA HIS A 42 8.745 13.999 -20.357 1.00 54.11 C ATOM 473 C HIS A 42 7.280 14.420 -20.424 1.00 74.31 C ATOM 474 O HIS A 42 6.526 13.945 -21.274 1.00 12.10 O ATOM 475 CB HIS A 42 8.878 12.516 -20.702 1.00 73.43 C ATOM 476 CG HIS A 42 10.287 12.088 -20.973 1.00 23.21 C ATOM 477 ND1 HIS A 42 10.951 11.155 -20.205 1.00 22.50 N ATOM 478 CD2 HIS A 42 11.159 12.470 -21.935 1.00 3.10 C ATOM 479 CE1 HIS A 42 12.171 10.983 -20.682 1.00 21.41 C ATOM 480 NE2 HIS A 42 12.323 11.769 -21.732 1.00 55.12 N ATOM 0 H HIS A 42 8.840 13.763 -18.276 1.00 31.50 H new ATOM 0 HA HIS A 42 9.307 14.585 -21.084 1.00 54.11 H new ATOM 0 HB2 HIS A 42 8.479 11.923 -19.879 1.00 73.43 H new ATOM 0 HB3 HIS A 42 8.266 12.299 -21.578 1.00 73.43 H new ATOM 0 HD2 HIS A 42 10.974 13.192 -22.717 1.00 3.10 H new ATOM 0 HE1 HIS A 42 12.917 10.313 -20.281 1.00 21.41 H new ATOM 0 HE2 HIS A 42 13.167 11.844 -22.300 1.00 55.12 H new ATOM 488 N ARG A 43 6.883 15.312 -19.522 1.00 62.23 N ATOM 489 CA ARG A 43 5.508 15.794 -19.478 1.00 2.30 C ATOM 490 C ARG A 43 5.110 16.425 -20.809 1.00 43.31 C ATOM 491 O ARG A 43 3.985 16.252 -21.279 1.00 31.01 O ATOM 492 CB ARG A 43 5.338 16.812 -18.348 1.00 63.51 C ATOM 493 CG ARG A 43 6.206 18.049 -18.507 1.00 41.23 C ATOM 494 CD ARG A 43 6.380 18.781 -17.186 1.00 11.41 C ATOM 495 NE ARG A 43 7.604 19.578 -17.158 1.00 55.24 N ATOM 496 CZ ARG A 43 8.004 20.274 -16.100 1.00 72.10 C ATOM 497 NH1 ARG A 43 7.281 20.271 -14.988 1.00 63.54 N ATOM 498 NH2 ARG A 43 9.129 20.975 -16.152 1.00 65.42 N ATOM 0 H ARG A 43 7.494 15.715 -18.812 1.00 62.23 H new ATOM 0 HA ARG A 43 4.856 14.941 -19.291 1.00 2.30 H new ATOM 0 HB2 ARG A 43 4.292 17.116 -18.299 1.00 63.51 H new ATOM 0 HB3 ARG A 43 5.575 16.332 -17.399 1.00 63.51 H new ATOM 0 HG2 ARG A 43 7.183 17.762 -18.896 1.00 41.23 H new ATOM 0 HG3 ARG A 43 5.755 18.719 -19.239 1.00 41.23 H new ATOM 0 HD2 ARG A 43 5.521 19.430 -17.015 1.00 11.41 H new ATOM 0 HD3 ARG A 43 6.400 18.058 -16.371 1.00 11.41 H new ATOM 0 HE ARG A 43 8.183 19.601 -17.997 1.00 55.24 H new ATOM 0 HH11 ARG A 43 6.415 19.733 -14.944 1.00 63.54 H new ATOM 0 HH12 ARG A 43 7.591 20.806 -14.177 1.00 63.54 H new ATOM 0 HH21 ARG A 43 9.688 20.980 -17.005 1.00 65.42 H new ATOM 0 HH22 ARG A 43 9.435 21.509 -15.339 1.00 65.42 H new ATOM 512 N LEU A 44 6.040 17.158 -21.412 1.00 1.12 N ATOM 513 CA LEU A 44 5.787 17.816 -22.689 1.00 31.10 C ATOM 514 C LEU A 44 5.236 16.827 -23.711 1.00 74.00 C ATOM 515 O LEU A 44 5.320 15.613 -23.525 1.00 31.22 O ATOM 516 CB LEU A 44 7.072 18.453 -23.221 1.00 21.14 C ATOM 517 CG LEU A 44 7.843 19.331 -22.235 1.00 4.32 C ATOM 518 CD1 LEU A 44 9.102 19.885 -22.885 1.00 13.20 C ATOM 519 CD2 LEU A 44 6.962 20.462 -21.726 1.00 12.34 C ATOM 0 H LEU A 44 6.976 17.311 -21.037 1.00 1.12 H new ATOM 0 HA LEU A 44 5.043 18.596 -22.526 1.00 31.10 H new ATOM 0 HB2 LEU A 44 7.734 17.657 -23.563 1.00 21.14 H new ATOM 0 HB3 LEU A 44 6.821 19.056 -24.094 1.00 21.14 H new ATOM 0 HG LEU A 44 8.138 18.716 -21.385 1.00 4.32 H new ATOM 0 HD11 LEU A 44 9.638 20.507 -22.168 1.00 13.20 H new ATOM 0 HD12 LEU A 44 9.742 19.061 -23.199 1.00 13.20 H new ATOM 0 HD13 LEU A 44 8.829 20.484 -23.754 1.00 13.20 H new ATOM 0 HD21 LEU A 44 7.527 21.077 -21.025 1.00 12.34 H new ATOM 0 HD22 LEU A 44 6.636 21.076 -22.566 1.00 12.34 H new ATOM 0 HD23 LEU A 44 6.090 20.045 -21.221 1.00 12.34 H new ATOM 531 N LYS A 45 4.673 17.354 -24.793 1.00 15.42 N ATOM 532 CA LYS A 45 4.110 16.519 -25.847 1.00 40.35 C ATOM 533 C LYS A 45 5.214 15.823 -26.637 1.00 52.44 C ATOM 534 O LYS A 45 5.296 14.596 -26.656 1.00 31.21 O ATOM 535 CB LYS A 45 3.249 17.363 -26.790 1.00 14.34 C ATOM 536 CG LYS A 45 1.772 17.011 -26.743 1.00 12.35 C ATOM 537 CD LYS A 45 1.129 17.116 -28.116 1.00 5.14 C ATOM 538 CE LYS A 45 1.033 18.562 -28.577 1.00 13.22 C ATOM 539 NZ LYS A 45 -0.216 19.216 -28.095 1.00 24.32 N ATOM 0 H LYS A 45 4.595 18.357 -24.963 1.00 15.42 H new ATOM 0 HA LYS A 45 3.486 15.758 -25.379 1.00 40.35 H new ATOM 0 HB2 LYS A 45 3.371 18.416 -26.536 1.00 14.34 H new ATOM 0 HB3 LYS A 45 3.612 17.237 -27.810 1.00 14.34 H new ATOM 0 HG2 LYS A 45 1.651 15.998 -26.360 1.00 12.35 H new ATOM 0 HG3 LYS A 45 1.260 17.677 -26.049 1.00 12.35 H new ATOM 0 HD2 LYS A 45 1.711 16.541 -28.836 1.00 5.14 H new ATOM 0 HD3 LYS A 45 0.132 16.675 -28.087 1.00 5.14 H new ATOM 0 HE2 LYS A 45 1.897 19.117 -28.213 1.00 13.22 H new ATOM 0 HE3 LYS A 45 1.066 18.599 -29.666 1.00 13.22 H new ATOM 0 HZ1 LYS A 45 0.010 20.155 -27.709 1.00 24.32 H new ATOM 0 HZ2 LYS A 45 -0.882 19.319 -28.887 1.00 24.32 H new ATOM 0 HZ3 LYS A 45 -0.649 18.631 -27.352 1.00 24.32 H new ATOM 553 N GLU A 46 6.061 16.616 -27.287 1.00 14.11 N ATOM 554 CA GLU A 46 7.160 16.074 -28.077 1.00 54.45 C ATOM 555 C GLU A 46 8.050 15.174 -27.226 1.00 60.11 C ATOM 556 O GLU A 46 8.661 14.232 -27.730 1.00 65.24 O ATOM 557 CB GLU A 46 7.991 17.209 -28.681 1.00 33.42 C ATOM 558 CG GLU A 46 8.854 17.938 -27.665 1.00 31.42 C ATOM 559 CD GLU A 46 9.702 19.026 -28.294 1.00 12.13 C ATOM 560 OE1 GLU A 46 10.502 19.651 -27.566 1.00 72.53 O ATOM 561 OE2 GLU A 46 9.565 19.253 -29.514 1.00 61.12 O ATOM 0 H GLU A 46 6.007 17.635 -27.282 1.00 14.11 H new ATOM 0 HA GLU A 46 6.734 15.476 -28.883 1.00 54.45 H new ATOM 0 HB2 GLU A 46 8.631 16.802 -29.464 1.00 33.42 H new ATOM 0 HB3 GLU A 46 7.321 17.925 -29.157 1.00 33.42 H new ATOM 0 HG2 GLU A 46 8.215 18.378 -26.900 1.00 31.42 H new ATOM 0 HG3 GLU A 46 9.504 17.220 -27.164 1.00 31.42 H new ATOM 568 N ASP A 47 8.118 15.471 -25.933 1.00 50.22 N ATOM 569 CA ASP A 47 8.933 14.689 -25.011 1.00 13.14 C ATOM 570 C ASP A 47 8.647 13.198 -25.163 1.00 14.44 C ATOM 571 O ASP A 47 9.561 12.397 -25.360 1.00 54.11 O ATOM 572 CB ASP A 47 8.671 15.127 -23.569 1.00 21.14 C ATOM 573 CG ASP A 47 9.761 16.034 -23.032 1.00 62.40 C ATOM 574 OD1 ASP A 47 10.931 15.856 -23.432 1.00 75.30 O ATOM 575 OD2 ASP A 47 9.445 16.921 -22.211 1.00 61.53 O ATOM 0 H ASP A 47 7.619 16.248 -25.500 1.00 50.22 H new ATOM 0 HA ASP A 47 9.981 14.866 -25.252 1.00 13.14 H new ATOM 0 HB2 ASP A 47 7.713 15.645 -23.518 1.00 21.14 H new ATOM 0 HB3 ASP A 47 8.590 14.245 -22.933 1.00 21.14 H new ATOM 580 N HIS A 48 7.372 12.833 -25.068 1.00 60.11 N ATOM 581 CA HIS A 48 6.965 11.438 -25.195 1.00 24.14 C ATOM 582 C HIS A 48 6.531 11.126 -26.624 1.00 24.04 C ATOM 583 O HIS A 48 5.805 10.161 -26.866 1.00 43.43 O ATOM 584 CB HIS A 48 5.826 11.127 -24.224 1.00 31.22 C ATOM 585 CG HIS A 48 4.597 11.951 -24.459 1.00 22.44 C ATOM 586 ND1 HIS A 48 4.253 13.029 -23.672 1.00 14.22 N ATOM 587 CD2 HIS A 48 3.630 11.849 -25.400 1.00 42.53 C ATOM 588 CE1 HIS A 48 3.126 13.555 -24.118 1.00 71.12 C ATOM 589 NE2 HIS A 48 2.728 12.858 -25.167 1.00 34.30 N ATOM 0 H HIS A 48 6.604 13.483 -24.904 1.00 60.11 H new ATOM 0 HA HIS A 48 7.823 10.811 -24.950 1.00 24.14 H new ATOM 0 HB2 HIS A 48 5.567 10.071 -24.307 1.00 31.22 H new ATOM 0 HB3 HIS A 48 6.174 11.291 -23.204 1.00 31.22 H new ATOM 0 HD1 HIS A 48 4.785 13.368 -22.871 1.00 14.22 H new ATOM 0 HD2 HIS A 48 3.577 11.112 -26.187 1.00 42.53 H new ATOM 0 HE1 HIS A 48 2.617 14.409 -23.697 1.00 71.12 H new ATOM 597 N HIS A 49 6.980 11.949 -27.566 1.00 62.23 N ATOM 598 CA HIS A 49 6.638 11.761 -28.972 1.00 31.44 C ATOM 599 C HIS A 49 5.130 11.606 -29.148 1.00 23.35 C ATOM 600 O HIS A 49 4.659 10.618 -29.713 1.00 12.43 O ATOM 601 CB HIS A 49 7.357 10.534 -29.534 1.00 4.22 C ATOM 602 CG HIS A 49 8.839 10.714 -29.659 1.00 50.22 C ATOM 603 ND1 HIS A 49 9.463 11.013 -30.852 1.00 75.33 N ATOM 604 CD2 HIS A 49 9.822 10.638 -28.732 1.00 33.15 C ATOM 605 CE1 HIS A 49 10.765 11.110 -30.653 1.00 51.55 C ATOM 606 NE2 HIS A 49 11.009 10.888 -29.375 1.00 20.14 N ATOM 0 H HIS A 49 7.581 12.752 -27.382 1.00 62.23 H new ATOM 0 HA HIS A 49 6.962 12.646 -29.521 1.00 31.44 H new ATOM 0 HB2 HIS A 49 7.156 9.678 -28.889 1.00 4.22 H new ATOM 0 HB3 HIS A 49 6.944 10.298 -30.515 1.00 4.22 H new ATOM 0 HD1 HIS A 49 8.992 11.139 -31.748 1.00 75.33 H new ATOM 0 HD2 HIS A 49 9.696 10.421 -27.682 1.00 33.15 H new ATOM 0 HE1 HIS A 49 11.505 11.333 -31.408 1.00 51.55 H new ATOM 614 N CYS A 50 4.379 12.587 -28.659 1.00 74.33 N ATOM 615 CA CYS A 50 2.925 12.560 -28.761 1.00 34.41 C ATOM 616 C CYS A 50 2.484 12.310 -30.201 1.00 5.23 C ATOM 617 O CYS A 50 2.884 13.030 -31.116 1.00 53.01 O ATOM 618 CB CYS A 50 2.333 13.877 -28.256 1.00 35.10 C ATOM 619 SG CYS A 50 0.572 13.774 -27.799 1.00 22.04 S ATOM 0 H CYS A 50 4.753 13.411 -28.188 1.00 74.33 H new ATOM 0 HA CYS A 50 2.558 11.742 -28.141 1.00 34.41 H new ATOM 0 HB2 CYS A 50 2.903 14.211 -27.389 1.00 35.10 H new ATOM 0 HB3 CYS A 50 2.453 14.637 -29.028 1.00 35.10 H new ATOM 624 N ARG A 51 1.659 11.286 -30.392 1.00 45.13 N ATOM 625 CA ARG A 51 1.166 10.941 -31.720 1.00 33.10 C ATOM 626 C ARG A 51 0.530 12.153 -32.396 1.00 24.52 C ATOM 627 O ARG A 51 0.641 12.327 -33.609 1.00 51.42 O ATOM 628 CB ARG A 51 0.148 9.802 -31.629 1.00 11.42 C ATOM 629 CG ARG A 51 0.576 8.542 -32.363 1.00 3.32 C ATOM 630 CD ARG A 51 -0.286 7.351 -31.974 1.00 43.25 C ATOM 631 NE ARG A 51 0.422 6.085 -32.145 1.00 33.11 N ATOM 632 CZ ARG A 51 0.668 5.534 -33.328 1.00 42.34 C ATOM 633 NH1 ARG A 51 0.267 6.136 -34.440 1.00 31.13 N ATOM 634 NH2 ARG A 51 1.318 4.380 -33.402 1.00 32.41 N ATOM 0 H ARG A 51 1.318 10.681 -29.645 1.00 45.13 H new ATOM 0 HA ARG A 51 2.014 10.614 -32.322 1.00 33.10 H new ATOM 0 HB2 ARG A 51 -0.022 9.561 -30.580 1.00 11.42 H new ATOM 0 HB3 ARG A 51 -0.804 10.144 -32.036 1.00 11.42 H new ATOM 0 HG2 ARG A 51 0.509 8.705 -33.439 1.00 3.32 H new ATOM 0 HG3 ARG A 51 1.620 8.326 -32.138 1.00 3.32 H new ATOM 0 HD2 ARG A 51 -0.599 7.454 -30.935 1.00 43.25 H new ATOM 0 HD3 ARG A 51 -1.191 7.345 -32.581 1.00 43.25 H new ATOM 0 HE ARG A 51 0.745 5.597 -31.310 1.00 33.11 H new ATOM 0 HH11 ARG A 51 -0.232 7.024 -34.388 1.00 31.13 H new ATOM 0 HH12 ARG A 51 0.457 5.711 -35.347 1.00 31.13 H new ATOM 0 HH21 ARG A 51 1.630 3.915 -32.550 1.00 32.41 H new ATOM 0 HH22 ARG A 51 1.506 3.958 -34.311 1.00 32.41 H new ATOM 648 N TRP A 52 -0.134 12.985 -31.602 1.00 73.45 N ATOM 649 CA TRP A 52 -0.788 14.180 -32.124 1.00 62.43 C ATOM 650 C TRP A 52 0.221 15.100 -32.802 1.00 3.13 C ATOM 651 O TRP A 52 -0.064 15.690 -33.845 1.00 21.02 O ATOM 652 CB TRP A 52 -1.503 14.928 -30.998 1.00 73.52 C ATOM 653 CG TRP A 52 -2.491 15.941 -31.492 1.00 42.21 C ATOM 654 CD1 TRP A 52 -3.836 15.766 -31.650 1.00 61.43 C ATOM 655 CD2 TRP A 52 -2.210 17.286 -31.894 1.00 3.32 C ATOM 656 NE1 TRP A 52 -4.408 16.921 -32.126 1.00 61.22 N ATOM 657 CE2 TRP A 52 -3.432 17.869 -32.283 1.00 62.21 C ATOM 658 CE3 TRP A 52 -1.045 18.056 -31.961 1.00 14.14 C ATOM 659 CZ2 TRP A 52 -3.520 19.183 -32.733 1.00 45.51 C ATOM 660 CZ3 TRP A 52 -1.134 19.361 -32.408 1.00 30.43 C ATOM 661 CH2 TRP A 52 -2.364 19.914 -32.788 1.00 42.14 C ATOM 0 H TRP A 52 -0.234 12.855 -30.595 1.00 73.45 H new ATOM 0 HA TRP A 52 -1.522 13.867 -32.866 1.00 62.43 H new ATOM 0 HB2 TRP A 52 -2.019 14.208 -30.363 1.00 73.52 H new ATOM 0 HB3 TRP A 52 -0.761 15.428 -30.375 1.00 73.52 H new ATOM 0 HD1 TRP A 52 -4.372 14.854 -31.433 1.00 61.43 H new ATOM 0 HE1 TRP A 52 -5.399 17.051 -32.329 1.00 61.22 H new ATOM 0 HE3 TRP A 52 -0.093 17.639 -31.669 1.00 14.14 H new ATOM 0 HZ2 TRP A 52 -4.467 19.611 -33.028 1.00 45.51 H new ATOM 0 HZ3 TRP A 52 -0.240 19.965 -32.465 1.00 30.43 H new ATOM 0 HH2 TRP A 52 -2.401 20.937 -33.131 1.00 42.14 H new ATOM 672 N LEU A 53 1.402 15.219 -32.204 1.00 35.13 N ATOM 673 CA LEU A 53 2.454 16.068 -32.750 1.00 41.43 C ATOM 674 C LEU A 53 2.957 15.523 -34.083 1.00 54.23 C ATOM 675 O LEU A 53 3.288 16.285 -34.993 1.00 3.04 O ATOM 676 CB LEU A 53 3.615 16.176 -31.760 1.00 42.32 C ATOM 677 CG LEU A 53 3.761 17.517 -31.040 1.00 14.30 C ATOM 678 CD1 LEU A 53 4.938 17.482 -30.078 1.00 63.25 C ATOM 679 CD2 LEU A 53 3.924 18.648 -32.045 1.00 64.35 C ATOM 0 H LEU A 53 1.654 14.738 -31.341 1.00 35.13 H new ATOM 0 HA LEU A 53 2.035 17.060 -32.919 1.00 41.43 H new ATOM 0 HB2 LEU A 53 3.500 15.394 -31.009 1.00 42.32 H new ATOM 0 HB3 LEU A 53 4.542 15.971 -32.295 1.00 42.32 H new ATOM 0 HG LEU A 53 2.853 17.698 -30.464 1.00 14.30 H new ATOM 0 HD11 LEU A 53 5.026 18.445 -29.575 1.00 63.25 H new ATOM 0 HD12 LEU A 53 4.779 16.699 -29.337 1.00 63.25 H new ATOM 0 HD13 LEU A 53 5.854 17.277 -30.632 1.00 63.25 H new ATOM 0 HD21 LEU A 53 4.026 19.594 -31.514 1.00 64.35 H new ATOM 0 HD22 LEU A 53 4.814 18.473 -32.649 1.00 64.35 H new ATOM 0 HD23 LEU A 53 3.048 18.688 -32.693 1.00 64.35 H new ATOM 691 N LEU A 54 3.008 14.200 -34.194 1.00 4.44 N ATOM 692 CA LEU A 54 3.468 13.552 -35.417 1.00 2.10 C ATOM 693 C LEU A 54 2.434 13.692 -36.529 1.00 73.22 C ATOM 694 O LEU A 54 2.740 14.182 -37.616 1.00 35.04 O ATOM 695 CB LEU A 54 3.757 12.073 -35.156 1.00 74.41 C ATOM 696 CG LEU A 54 4.379 11.739 -33.800 1.00 12.12 C ATOM 697 CD1 LEU A 54 4.662 10.249 -33.694 1.00 71.44 C ATOM 698 CD2 LEU A 54 5.653 12.542 -33.586 1.00 4.44 C ATOM 0 H LEU A 54 2.736 13.555 -33.452 1.00 4.44 H new ATOM 0 HA LEU A 54 4.387 14.044 -35.737 1.00 2.10 H new ATOM 0 HB2 LEU A 54 2.823 11.519 -35.251 1.00 74.41 H new ATOM 0 HB3 LEU A 54 4.424 11.710 -35.938 1.00 74.41 H new ATOM 0 HG LEU A 54 3.667 12.009 -33.020 1.00 12.12 H new ATOM 0 HD11 LEU A 54 5.104 10.031 -32.722 1.00 71.44 H new ATOM 0 HD12 LEU A 54 3.731 9.693 -33.802 1.00 71.44 H new ATOM 0 HD13 LEU A 54 5.354 9.953 -34.482 1.00 71.44 H new ATOM 0 HD21 LEU A 54 6.082 12.292 -32.616 1.00 4.44 H new ATOM 0 HD22 LEU A 54 6.369 12.304 -34.372 1.00 4.44 H new ATOM 0 HD23 LEU A 54 5.421 13.607 -33.616 1.00 4.44 H new ATOM 710 N GLU A 55 1.208 13.259 -36.248 1.00 43.55 N ATOM 711 CA GLU A 55 0.129 13.338 -37.226 1.00 12.25 C ATOM 712 C GLU A 55 -0.110 14.782 -37.657 1.00 14.21 C ATOM 713 O GLU A 55 -0.423 15.052 -38.817 1.00 65.23 O ATOM 714 CB GLU A 55 -1.158 12.748 -36.645 1.00 71.13 C ATOM 715 CG GLU A 55 -1.721 13.543 -35.479 1.00 50.35 C ATOM 716 CD GLU A 55 -2.795 12.787 -34.722 1.00 11.22 C ATOM 717 OE1 GLU A 55 -3.989 12.991 -35.026 1.00 33.23 O ATOM 718 OE2 GLU A 55 -2.442 11.993 -33.826 1.00 31.24 O ATOM 0 H GLU A 55 0.938 12.851 -35.353 1.00 43.55 H new ATOM 0 HA GLU A 55 0.423 12.760 -38.102 1.00 12.25 H new ATOM 0 HB2 GLU A 55 -1.910 12.692 -37.432 1.00 71.13 H new ATOM 0 HB3 GLU A 55 -0.964 11.727 -36.317 1.00 71.13 H new ATOM 0 HG2 GLU A 55 -0.912 13.800 -34.795 1.00 50.35 H new ATOM 0 HG3 GLU A 55 -2.135 14.481 -35.850 1.00 50.35 H new ATOM 725 N HIS A 56 0.038 15.708 -36.714 1.00 73.42 N ATOM 726 CA HIS A 56 -0.162 17.125 -36.996 1.00 21.31 C ATOM 727 C HIS A 56 1.090 17.928 -36.655 1.00 72.04 C ATOM 728 O HIS A 56 1.185 18.520 -35.581 1.00 33.11 O ATOM 729 CB HIS A 56 -1.356 17.660 -36.206 1.00 13.15 C ATOM 730 CG HIS A 56 -2.651 17.587 -36.954 1.00 73.22 C ATOM 731 ND1 HIS A 56 -3.508 18.660 -37.083 1.00 31.42 N ATOM 732 CD2 HIS A 56 -3.233 16.561 -37.618 1.00 35.32 C ATOM 733 CE1 HIS A 56 -4.562 18.296 -37.791 1.00 51.05 C ATOM 734 NE2 HIS A 56 -4.420 17.027 -38.129 1.00 23.02 N ATOM 0 H HIS A 56 0.296 15.502 -35.749 1.00 73.42 H new ATOM 0 HA HIS A 56 -0.363 17.234 -38.062 1.00 21.31 H new ATOM 0 HB2 HIS A 56 -1.450 17.095 -35.278 1.00 13.15 H new ATOM 0 HB3 HIS A 56 -1.163 18.697 -35.930 1.00 13.15 H new ATOM 0 HD2 HIS A 56 -2.838 15.562 -37.726 1.00 35.32 H new ATOM 0 HE1 HIS A 56 -5.398 18.929 -38.050 1.00 51.05 H new ATOM 0 HE2 HIS A 56 -5.083 16.482 -38.680 1.00 23.02 H new ATOM 742 N GLU A 57 2.047 17.942 -37.578 1.00 1.43 N ATOM 743 CA GLU A 57 3.293 18.672 -37.373 1.00 60.31 C ATOM 744 C GLU A 57 3.344 19.918 -38.252 1.00 4.21 C ATOM 745 O GLU A 57 4.005 19.931 -39.290 1.00 74.32 O ATOM 746 CB GLU A 57 4.493 17.771 -37.676 1.00 14.23 C ATOM 747 CG GLU A 57 4.358 16.995 -38.975 1.00 24.10 C ATOM 748 CD GLU A 57 5.692 16.774 -39.663 1.00 55.41 C ATOM 749 OE1 GLU A 57 6.062 17.603 -40.520 1.00 52.51 O ATOM 750 OE2 GLU A 57 6.365 15.772 -39.344 1.00 34.12 O ATOM 0 H GLU A 57 1.984 17.457 -38.473 1.00 1.43 H new ATOM 0 HA GLU A 57 3.335 18.983 -36.329 1.00 60.31 H new ATOM 0 HB2 GLU A 57 5.394 18.383 -37.720 1.00 14.23 H new ATOM 0 HB3 GLU A 57 4.625 17.067 -36.854 1.00 14.23 H new ATOM 0 HG2 GLU A 57 3.894 16.030 -38.771 1.00 24.10 H new ATOM 0 HG3 GLU A 57 3.691 17.533 -39.648 1.00 24.10 H new ATOM 757 N GLU A 58 2.642 20.964 -37.827 1.00 61.01 N ATOM 758 CA GLU A 58 2.607 22.215 -38.576 1.00 73.40 C ATOM 759 C GLU A 58 3.518 23.258 -37.936 1.00 14.22 C ATOM 760 O GLU A 58 3.661 23.307 -36.714 1.00 44.42 O ATOM 761 CB GLU A 58 1.175 22.749 -38.652 1.00 11.11 C ATOM 762 CG GLU A 58 0.518 22.925 -37.293 1.00 42.10 C ATOM 763 CD GLU A 58 -0.543 21.877 -37.018 1.00 1.42 C ATOM 764 OE1 GLU A 58 -1.604 21.920 -37.674 1.00 51.14 O ATOM 765 OE2 GLU A 58 -0.311 21.014 -36.145 1.00 52.33 O ATOM 0 H GLU A 58 2.090 20.970 -36.969 1.00 61.01 H new ATOM 0 HA GLU A 58 2.967 22.015 -39.585 1.00 73.40 H new ATOM 0 HB2 GLU A 58 1.181 23.708 -39.170 1.00 11.11 H new ATOM 0 HB3 GLU A 58 0.573 22.066 -39.252 1.00 11.11 H new ATOM 0 HG2 GLU A 58 1.281 22.877 -36.516 1.00 42.10 H new ATOM 0 HG3 GLU A 58 0.068 23.916 -37.237 1.00 42.10 H new ATOM 772 N VAL A 59 4.131 24.091 -38.770 1.00 44.23 N ATOM 773 CA VAL A 59 5.028 25.134 -38.287 1.00 41.42 C ATOM 774 C VAL A 59 6.192 24.539 -37.503 1.00 70.10 C ATOM 775 O VAL A 59 6.862 23.640 -38.009 1.00 42.10 O ATOM 776 CB VAL A 59 4.284 26.144 -37.393 1.00 42.21 C ATOM 777 CG1 VAL A 59 5.215 27.271 -36.972 1.00 13.32 C ATOM 778 CG2 VAL A 59 3.061 26.692 -38.113 1.00 2.33 C ATOM 0 H VAL A 59 4.023 24.064 -39.784 1.00 44.23 H new ATOM 0 HA VAL A 59 5.413 25.652 -39.165 1.00 41.42 H new ATOM 0 HB VAL A 59 3.947 25.628 -36.494 1.00 42.21 H new ATOM 0 HG11 VAL A 59 4.672 27.975 -36.341 1.00 13.32 H new ATOM 0 HG12 VAL A 59 6.057 26.859 -36.415 1.00 13.32 H new ATOM 0 HG13 VAL A 59 5.584 27.788 -37.858 1.00 13.32 H new ATOM 0 HG21 VAL A 59 2.547 27.404 -37.467 1.00 2.33 H new ATOM 0 HG22 VAL A 59 3.372 27.193 -39.030 1.00 2.33 H new ATOM 0 HG23 VAL A 59 2.386 25.872 -38.359 1.00 2.33 H new TER 788 VAL A 59 HETATM 789 ZN ZN A 101 10.311 10.054 -18.453 1.00 11.44 ZN HETATM 790 ZN ZN A 102 0.592 12.922 -25.652 1.00 73.03 ZN