USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 325 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 CYS SG : rot 162:sc= -7.7! USER MOD Set 1.2: A 36 CYS SG : rot -80:sc= -3.84! USER MOD Set 2.1: A 8 CYS SG : rot 76:sc= -5.32! USER MOD Set 2.2: A 31 CYS SG : rot 1:sc= -10.3! USER MOD Set 3.1: A 4 CYS SG : rot 172:sc= -3.49! USER MOD Set 3.2: A 17 CYS SG : rot -169:sc= -4.98! USER MOD Set 4.1: A 7 SER OG : rot -120:sc= 0.419 USER MOD Set 4.2: A 12 LYS NZ :NH3+ -159:sc= 1.09 (180deg=-0.0214) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= -0.0141 (180deg=-0.147) USER MOD Single : A 15 LYS NZ :NH3+ 145:sc= 0.32 (180deg=0.0111) USER MOD Single : A 18 LYS NZ :NH3+ 145:sc= -6.13! (180deg=-7.89!) USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= 0.588 (180deg=0.478) USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= -0.0214 (180deg=-0.257) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.103) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 22 N PHE A 2 3.549 -4.530 -5.075 1.00 23.00 N ATOM 23 CA PHE A 2 4.168 -3.251 -4.805 1.00 65.33 C ATOM 24 C PHE A 2 5.556 -3.223 -5.431 1.00 24.12 C ATOM 25 O PHE A 2 6.464 -3.942 -5.013 1.00 13.23 O ATOM 26 CB PHE A 2 4.168 -2.893 -3.287 1.00 24.32 C ATOM 27 CG PHE A 2 4.621 -3.980 -2.321 1.00 11.30 C ATOM 28 CD1 PHE A 2 3.714 -4.915 -1.851 1.00 55.43 C ATOM 29 CD2 PHE A 2 5.932 -4.047 -1.859 1.00 63.10 C ATOM 30 CE1 PHE A 2 4.096 -5.892 -0.956 1.00 62.04 C ATOM 31 CE2 PHE A 2 6.312 -5.020 -0.960 1.00 62.13 C ATOM 32 CZ PHE A 2 5.395 -5.944 -0.510 1.00 14.41 C ATOM 0 HA PHE A 2 3.571 -2.465 -5.269 1.00 65.33 H new ATOM 0 HB2 PHE A 2 4.810 -2.024 -3.144 1.00 24.32 H new ATOM 0 HB3 PHE A 2 3.158 -2.593 -3.010 1.00 24.32 H new ATOM 0 HD1 PHE A 2 2.690 -4.878 -2.191 1.00 55.43 H new ATOM 0 HD2 PHE A 2 6.659 -3.329 -2.209 1.00 63.10 H new ATOM 0 HE1 PHE A 2 3.375 -6.616 -0.606 1.00 62.04 H new ATOM 0 HE2 PHE A 2 7.332 -5.058 -0.607 1.00 62.13 H new ATOM 0 HZ PHE A 2 5.696 -6.708 0.192 1.00 14.41 H new ATOM 42 N GLU A 3 5.697 -2.441 -6.468 1.00 60.23 N ATOM 43 CA GLU A 3 6.903 -2.416 -7.243 1.00 73.51 C ATOM 44 C GLU A 3 7.981 -1.549 -6.640 1.00 25.10 C ATOM 45 O GLU A 3 8.104 -0.367 -6.939 1.00 1.03 O ATOM 46 CB GLU A 3 6.622 -2.086 -8.702 1.00 62.12 C ATOM 47 CG GLU A 3 5.814 -3.171 -9.382 1.00 11.53 C ATOM 48 CD GLU A 3 5.381 -2.820 -10.775 1.00 70.42 C ATOM 49 OE1 GLU A 3 6.158 -3.027 -11.717 1.00 51.53 O ATOM 50 OE2 GLU A 3 4.226 -2.369 -10.951 1.00 11.23 O ATOM 0 H GLU A 3 4.974 -1.802 -6.798 1.00 60.23 H new ATOM 0 HA GLU A 3 7.310 -3.427 -7.219 1.00 73.51 H new ATOM 0 HB2 GLU A 3 6.083 -1.140 -8.763 1.00 62.12 H new ATOM 0 HB3 GLU A 3 7.565 -1.950 -9.231 1.00 62.12 H new ATOM 0 HG2 GLU A 3 6.406 -4.085 -9.415 1.00 11.53 H new ATOM 0 HG3 GLU A 3 4.931 -3.385 -8.780 1.00 11.53 H new ATOM 57 N CYS A 4 8.695 -2.142 -5.735 1.00 15.24 N ATOM 58 CA CYS A 4 9.837 -1.525 -5.107 1.00 4.34 C ATOM 59 C CYS A 4 11.116 -2.004 -5.813 1.00 43.23 C ATOM 60 O CYS A 4 12.148 -1.344 -5.773 1.00 24.12 O ATOM 61 CB CYS A 4 9.831 -1.863 -3.598 1.00 0.51 C ATOM 62 SG CYS A 4 11.281 -1.349 -2.671 1.00 31.24 S ATOM 0 H CYS A 4 8.503 -3.086 -5.401 1.00 15.24 H new ATOM 0 HA CYS A 4 9.796 -0.440 -5.199 1.00 4.34 H new ATOM 0 HB2 CYS A 4 8.953 -1.402 -3.146 1.00 0.51 H new ATOM 0 HB3 CYS A 4 9.717 -2.941 -3.488 1.00 0.51 H new ATOM 0 HG CYS A 4 11.071 -1.531 -1.401 1.00 31.24 H new ATOM 68 N VAL A 5 10.976 -3.135 -6.537 1.00 4.44 N ATOM 69 CA VAL A 5 12.043 -3.799 -7.289 1.00 73.24 C ATOM 70 C VAL A 5 13.137 -4.301 -6.355 1.00 54.25 C ATOM 71 O VAL A 5 13.973 -3.544 -5.899 1.00 21.32 O ATOM 72 CB VAL A 5 12.647 -2.909 -8.395 1.00 42.13 C ATOM 73 CG1 VAL A 5 13.619 -3.700 -9.242 1.00 54.03 C ATOM 74 CG2 VAL A 5 11.571 -2.317 -9.267 1.00 33.14 C ATOM 0 H VAL A 5 10.083 -3.622 -6.612 1.00 4.44 H new ATOM 0 HA VAL A 5 11.580 -4.651 -7.787 1.00 73.24 H new ATOM 0 HB VAL A 5 13.182 -2.093 -7.908 1.00 42.13 H new ATOM 0 HG11 VAL A 5 14.035 -3.056 -10.017 1.00 54.03 H new ATOM 0 HG12 VAL A 5 14.425 -4.078 -8.613 1.00 54.03 H new ATOM 0 HG13 VAL A 5 13.099 -4.537 -9.707 1.00 54.03 H new ATOM 0 HG21 VAL A 5 12.028 -1.695 -10.037 1.00 33.14 H new ATOM 0 HG22 VAL A 5 11.003 -3.119 -9.738 1.00 33.14 H new ATOM 0 HG23 VAL A 5 10.903 -1.708 -8.658 1.00 33.14 H new ATOM 84 N PHE A 6 13.189 -5.604 -6.135 1.00 65.33 N ATOM 85 CA PHE A 6 14.087 -6.128 -5.140 1.00 42.54 C ATOM 86 C PHE A 6 15.404 -6.443 -5.783 1.00 33.44 C ATOM 87 O PHE A 6 15.794 -7.599 -5.924 1.00 14.25 O ATOM 88 CB PHE A 6 13.542 -7.376 -4.446 1.00 34.42 C ATOM 89 CG PHE A 6 14.167 -7.720 -3.087 1.00 33.42 C ATOM 90 CD1 PHE A 6 13.669 -7.139 -1.916 1.00 71.15 C ATOM 91 CD2 PHE A 6 15.186 -8.654 -2.974 1.00 73.04 C ATOM 92 CE1 PHE A 6 14.160 -7.484 -0.672 1.00 23.02 C ATOM 93 CE2 PHE A 6 15.698 -8.995 -1.731 1.00 13.52 C ATOM 94 CZ PHE A 6 15.183 -8.414 -0.581 1.00 74.02 C ATOM 0 H PHE A 6 12.628 -6.301 -6.625 1.00 65.33 H new ATOM 0 HA PHE A 6 14.205 -5.364 -4.372 1.00 42.54 H new ATOM 0 HB2 PHE A 6 12.468 -7.250 -4.308 1.00 34.42 H new ATOM 0 HB3 PHE A 6 13.680 -8.227 -5.113 1.00 34.42 H new ATOM 0 HD1 PHE A 6 12.882 -6.403 -1.986 1.00 71.15 H new ATOM 0 HD2 PHE A 6 15.585 -9.120 -3.863 1.00 73.04 H new ATOM 0 HE1 PHE A 6 13.751 -7.034 0.220 1.00 23.02 H new ATOM 0 HE2 PHE A 6 16.500 -9.715 -1.658 1.00 13.52 H new ATOM 0 HZ PHE A 6 15.580 -8.687 0.386 1.00 74.02 H new ATOM 104 N SER A 7 16.029 -5.430 -6.305 1.00 62.11 N ATOM 105 CA SER A 7 17.394 -5.582 -6.746 1.00 40.10 C ATOM 106 C SER A 7 18.277 -5.402 -5.515 1.00 1.40 C ATOM 107 O SER A 7 19.487 -5.480 -5.565 1.00 31.24 O ATOM 108 CB SER A 7 17.740 -4.563 -7.811 1.00 63.33 C ATOM 109 OG SER A 7 16.725 -4.486 -8.800 1.00 65.52 O ATOM 0 H SER A 7 15.629 -4.501 -6.437 1.00 62.11 H new ATOM 0 HA SER A 7 17.546 -6.564 -7.194 1.00 40.10 H new ATOM 0 HB2 SER A 7 17.877 -3.585 -7.350 1.00 63.33 H new ATOM 0 HB3 SER A 7 18.687 -4.830 -8.279 1.00 63.33 H new ATOM 0 HG SER A 7 17.103 -4.711 -9.675 1.00 65.52 H new ATOM 115 N CYS A 8 17.608 -5.074 -4.427 1.00 62.31 N ATOM 116 CA CYS A 8 18.156 -4.944 -3.095 1.00 32.32 C ATOM 117 C CYS A 8 19.299 -3.885 -3.030 1.00 21.43 C ATOM 118 O CYS A 8 20.118 -3.843 -2.105 1.00 52.50 O ATOM 119 CB CYS A 8 18.504 -6.353 -2.534 1.00 44.55 C ATOM 120 SG CYS A 8 18.909 -6.410 -0.772 1.00 10.24 S ATOM 0 H CYS A 8 16.607 -4.880 -4.453 1.00 62.31 H new ATOM 0 HA CYS A 8 17.405 -4.533 -2.420 1.00 32.32 H new ATOM 0 HB2 CYS A 8 17.659 -7.017 -2.717 1.00 44.55 H new ATOM 0 HB3 CYS A 8 19.349 -6.751 -3.096 1.00 44.55 H new ATOM 0 HG CYS A 8 17.818 -6.305 -0.072 1.00 10.24 H new ATOM 126 N ASP A 9 19.321 -3.035 -4.055 1.00 10.14 N ATOM 127 CA ASP A 9 20.179 -1.853 -4.112 1.00 33.33 C ATOM 128 C ASP A 9 19.790 -0.900 -3.027 1.00 21.33 C ATOM 129 O ASP A 9 18.647 -0.822 -2.685 1.00 10.11 O ATOM 130 CB ASP A 9 19.995 -1.110 -5.420 1.00 64.04 C ATOM 131 CG ASP A 9 20.542 -1.823 -6.627 1.00 54.13 C ATOM 132 OD1 ASP A 9 21.764 -1.753 -6.881 1.00 32.05 O ATOM 133 OD2 ASP A 9 19.775 -2.440 -7.347 1.00 44.02 O ATOM 0 H ASP A 9 18.734 -3.150 -4.882 1.00 10.14 H new ATOM 0 HA ASP A 9 21.210 -2.192 -4.007 1.00 33.33 H new ATOM 0 HB2 ASP A 9 18.931 -0.928 -5.573 1.00 64.04 H new ATOM 0 HB3 ASP A 9 20.477 -0.136 -5.340 1.00 64.04 H new ATOM 138 N ILE A 10 20.713 -0.115 -2.568 1.00 20.10 N ATOM 139 CA ILE A 10 20.453 0.818 -1.468 1.00 40.31 C ATOM 140 C ILE A 10 19.670 2.055 -1.933 1.00 24.02 C ATOM 141 O ILE A 10 19.268 2.886 -1.125 1.00 11.30 O ATOM 142 CB ILE A 10 21.766 1.267 -0.785 1.00 34.23 C ATOM 143 CG1 ILE A 10 22.665 2.027 -1.783 1.00 44.30 C ATOM 144 CG2 ILE A 10 22.488 0.047 -0.220 1.00 71.54 C ATOM 145 CD1 ILE A 10 23.945 2.564 -1.187 1.00 32.02 C ATOM 0 H ILE A 10 21.667 -0.087 -2.928 1.00 20.10 H new ATOM 0 HA ILE A 10 19.843 0.276 -0.746 1.00 40.31 H new ATOM 0 HB ILE A 10 21.530 1.948 0.033 1.00 34.23 H new ATOM 0 HG12 ILE A 10 22.915 1.360 -2.609 1.00 44.30 H new ATOM 0 HG13 ILE A 10 22.098 2.857 -2.204 1.00 44.30 H new ATOM 0 HG21 ILE A 10 23.414 0.363 0.262 1.00 71.54 H new ATOM 0 HG22 ILE A 10 21.849 -0.448 0.511 1.00 71.54 H new ATOM 0 HG23 ILE A 10 22.718 -0.647 -1.029 1.00 71.54 H new ATOM 0 HD11 ILE A 10 24.515 3.083 -1.957 1.00 32.02 H new ATOM 0 HD12 ILE A 10 23.708 3.258 -0.381 1.00 32.02 H new ATOM 0 HD13 ILE A 10 24.537 1.738 -0.792 1.00 32.02 H new ATOM 157 N LYS A 11 19.466 2.177 -3.230 1.00 4.23 N ATOM 158 CA LYS A 11 18.742 3.319 -3.760 1.00 12.13 C ATOM 159 C LYS A 11 17.278 3.006 -4.082 1.00 53.11 C ATOM 160 O LYS A 11 16.393 3.779 -3.735 1.00 31.24 O ATOM 161 CB LYS A 11 19.467 4.053 -4.927 1.00 40.33 C ATOM 162 CG LYS A 11 19.889 3.216 -6.140 1.00 61.44 C ATOM 163 CD LYS A 11 21.174 2.434 -5.901 1.00 11.10 C ATOM 164 CE LYS A 11 21.601 1.657 -7.143 1.00 53.44 C ATOM 165 NZ LYS A 11 21.967 2.542 -8.273 1.00 21.01 N ATOM 0 H LYS A 11 19.787 1.509 -3.931 1.00 4.23 H new ATOM 0 HA LYS A 11 18.731 4.036 -2.939 1.00 12.13 H new ATOM 0 HB2 LYS A 11 18.813 4.850 -5.280 1.00 40.33 H new ATOM 0 HB3 LYS A 11 20.359 4.530 -4.521 1.00 40.33 H new ATOM 0 HG2 LYS A 11 19.088 2.521 -6.392 1.00 61.44 H new ATOM 0 HG3 LYS A 11 20.024 3.873 -6.999 1.00 61.44 H new ATOM 0 HD2 LYS A 11 21.969 3.121 -5.610 1.00 11.10 H new ATOM 0 HD3 LYS A 11 21.030 1.743 -5.071 1.00 11.10 H new ATOM 0 HE2 LYS A 11 22.451 1.021 -6.895 1.00 53.44 H new ATOM 0 HE3 LYS A 11 20.789 0.998 -7.451 1.00 53.44 H new ATOM 0 HZ1 LYS A 11 22.423 1.980 -9.020 1.00 21.01 H new ATOM 0 HZ2 LYS A 11 21.110 2.993 -8.652 1.00 21.01 H new ATOM 0 HZ3 LYS A 11 22.626 3.275 -7.941 1.00 21.01 H new ATOM 179 N LYS A 12 17.014 1.885 -4.738 1.00 72.34 N ATOM 180 CA LYS A 12 15.622 1.516 -5.022 1.00 73.41 C ATOM 181 C LYS A 12 15.055 0.757 -3.830 1.00 41.25 C ATOM 182 O LYS A 12 13.922 0.974 -3.406 1.00 15.44 O ATOM 183 CB LYS A 12 15.494 0.674 -6.323 1.00 64.05 C ATOM 184 CG LYS A 12 16.167 -0.686 -6.277 1.00 73.54 C ATOM 185 CD LYS A 12 16.003 -1.472 -7.566 1.00 31.20 C ATOM 186 CE LYS A 12 16.885 -0.956 -8.690 1.00 45.15 C ATOM 187 NZ LYS A 12 16.827 -1.845 -9.877 1.00 10.30 N ATOM 0 H LYS A 12 17.717 1.228 -5.078 1.00 72.34 H new ATOM 0 HA LYS A 12 15.050 2.430 -5.184 1.00 73.41 H new ATOM 0 HB2 LYS A 12 14.436 0.532 -6.543 1.00 64.05 H new ATOM 0 HB3 LYS A 12 15.917 1.244 -7.150 1.00 64.05 H new ATOM 0 HG2 LYS A 12 17.229 -0.553 -6.071 1.00 73.54 H new ATOM 0 HG3 LYS A 12 15.752 -1.263 -5.451 1.00 73.54 H new ATOM 0 HD2 LYS A 12 16.238 -2.520 -7.379 1.00 31.20 H new ATOM 0 HD3 LYS A 12 14.960 -1.430 -7.881 1.00 31.20 H new ATOM 0 HE2 LYS A 12 16.569 0.049 -8.970 1.00 45.15 H new ATOM 0 HE3 LYS A 12 17.915 -0.880 -8.341 1.00 45.15 H new ATOM 0 HZ1 LYS A 12 17.668 -1.690 -10.468 1.00 10.30 H new ATOM 0 HZ2 LYS A 12 16.800 -2.837 -9.567 1.00 10.30 H new ATOM 0 HZ3 LYS A 12 15.972 -1.632 -10.429 1.00 10.30 H new ATOM 201 N GLU A 13 15.889 -0.070 -3.264 1.00 2.03 N ATOM 202 CA GLU A 13 15.559 -0.884 -2.163 1.00 70.24 C ATOM 203 C GLU A 13 16.251 -0.370 -0.922 1.00 45.03 C ATOM 204 O GLU A 13 16.778 0.757 -0.911 1.00 3.42 O ATOM 205 CB GLU A 13 15.969 -2.318 -2.457 1.00 10.41 C ATOM 206 CG GLU A 13 14.842 -3.204 -2.927 1.00 64.33 C ATOM 207 CD GLU A 13 13.847 -3.446 -1.841 1.00 22.02 C ATOM 208 OE1 GLU A 13 14.209 -3.248 -0.642 1.00 22.51 O ATOM 209 OE2 GLU A 13 12.703 -3.838 -2.159 1.00 1.53 O ATOM 0 H GLU A 13 16.851 -0.189 -3.581 1.00 2.03 H new ATOM 0 HA GLU A 13 14.483 -0.856 -1.991 1.00 70.24 H new ATOM 0 HB2 GLU A 13 16.751 -2.311 -3.217 1.00 10.41 H new ATOM 0 HB3 GLU A 13 16.404 -2.751 -1.556 1.00 10.41 H new ATOM 0 HG2 GLU A 13 14.346 -2.741 -3.780 1.00 64.33 H new ATOM 0 HG3 GLU A 13 15.246 -4.156 -3.271 1.00 64.33 H new ATOM 216 N GLY A 14 16.232 -1.151 0.113 1.00 72.31 N ATOM 217 CA GLY A 14 16.897 -0.747 1.337 1.00 3.13 C ATOM 218 C GLY A 14 15.877 -0.251 2.292 1.00 11.05 C ATOM 219 O GLY A 14 15.946 0.886 2.786 1.00 63.22 O ATOM 0 H GLY A 14 15.773 -2.061 0.148 1.00 72.31 H new ATOM 0 HA2 GLY A 14 17.440 -1.589 1.767 1.00 3.13 H new ATOM 0 HA3 GLY A 14 17.630 0.032 1.129 1.00 3.13 H new ATOM 223 N LYS A 15 14.968 -1.134 2.599 1.00 5.01 N ATOM 224 CA LYS A 15 13.730 -0.830 3.286 1.00 33.55 C ATOM 225 C LYS A 15 12.924 -2.119 3.275 1.00 70.15 C ATOM 226 O LYS A 15 13.319 -3.052 2.585 1.00 61.04 O ATOM 227 CB LYS A 15 12.977 0.269 2.486 1.00 34.00 C ATOM 228 CG LYS A 15 12.521 -0.172 1.093 1.00 73.34 C ATOM 229 CD LYS A 15 12.201 1.004 0.185 1.00 61.32 C ATOM 230 CE LYS A 15 13.475 1.736 -0.204 1.00 73.34 C ATOM 231 NZ LYS A 15 13.239 2.854 -1.139 1.00 63.02 N ATOM 0 H LYS A 15 15.067 -2.124 2.372 1.00 5.01 H new ATOM 0 HA LYS A 15 13.893 -0.472 4.303 1.00 33.55 H new ATOM 0 HB2 LYS A 15 12.105 0.586 3.058 1.00 34.00 H new ATOM 0 HB3 LYS A 15 13.626 1.139 2.385 1.00 34.00 H new ATOM 0 HG2 LYS A 15 13.301 -0.779 0.634 1.00 73.34 H new ATOM 0 HG3 LYS A 15 11.639 -0.805 1.187 1.00 73.34 H new ATOM 0 HD2 LYS A 15 11.689 0.651 -0.710 1.00 61.32 H new ATOM 0 HD3 LYS A 15 11.521 1.689 0.692 1.00 61.32 H new ATOM 0 HE2 LYS A 15 13.956 2.119 0.696 1.00 73.34 H new ATOM 0 HE3 LYS A 15 14.168 1.029 -0.660 1.00 73.34 H new ATOM 0 HZ1 LYS A 15 13.902 3.627 -0.930 1.00 63.02 H new ATOM 0 HZ2 LYS A 15 13.385 2.527 -2.115 1.00 63.02 H new ATOM 0 HZ3 LYS A 15 12.263 3.197 -1.031 1.00 63.02 H new ATOM 245 N PRO A 16 11.845 -2.239 4.059 1.00 11.42 N ATOM 246 CA PRO A 16 11.005 -3.423 4.002 1.00 35.03 C ATOM 247 C PRO A 16 10.080 -3.411 2.794 1.00 12.44 C ATOM 248 O PRO A 16 9.118 -2.625 2.725 1.00 34.42 O ATOM 249 CB PRO A 16 10.208 -3.384 5.307 1.00 42.14 C ATOM 250 CG PRO A 16 10.183 -1.942 5.717 1.00 64.40 C ATOM 251 CD PRO A 16 11.385 -1.275 5.087 1.00 35.30 C ATOM 0 HA PRO A 16 11.596 -4.333 3.896 1.00 35.03 H new ATOM 0 HB2 PRO A 16 9.198 -3.769 5.162 1.00 42.14 H new ATOM 0 HB3 PRO A 16 10.678 -4.002 6.072 1.00 42.14 H new ATOM 0 HG2 PRO A 16 9.261 -1.464 5.386 1.00 64.40 H new ATOM 0 HG3 PRO A 16 10.218 -1.850 6.803 1.00 64.40 H new ATOM 0 HD2 PRO A 16 11.119 -0.316 4.642 1.00 35.30 H new ATOM 0 HD3 PRO A 16 12.163 -1.079 5.825 1.00 35.30 H new ATOM 259 N CYS A 17 10.406 -4.239 1.850 1.00 50.44 N ATOM 260 CA CYS A 17 9.637 -4.440 0.667 1.00 4.23 C ATOM 261 C CYS A 17 9.507 -5.935 0.383 1.00 70.41 C ATOM 262 O CYS A 17 9.292 -6.712 1.340 1.00 35.10 O ATOM 263 CB CYS A 17 10.175 -3.612 -0.517 1.00 3.22 C ATOM 264 SG CYS A 17 9.868 -1.840 -0.346 1.00 35.33 S ATOM 0 H CYS A 17 11.248 -4.814 1.887 1.00 50.44 H new ATOM 0 HA CYS A 17 8.627 -4.062 0.823 1.00 4.23 H new ATOM 0 HB2 CYS A 17 11.248 -3.781 -0.612 1.00 3.22 H new ATOM 0 HB3 CYS A 17 9.714 -3.967 -1.439 1.00 3.22 H new ATOM 0 HG CYS A 17 10.136 -1.243 -1.469 1.00 35.33 H new ATOM 270 N LYS A 18 9.668 -6.352 -0.875 1.00 50.35 N ATOM 271 CA LYS A 18 9.354 -7.729 -1.259 1.00 2.43 C ATOM 272 C LYS A 18 10.552 -8.454 -1.867 1.00 24.11 C ATOM 273 O LYS A 18 11.078 -8.004 -2.845 1.00 62.44 O ATOM 274 CB LYS A 18 8.131 -7.778 -2.184 1.00 21.00 C ATOM 275 CG LYS A 18 8.251 -7.248 -3.614 1.00 64.02 C ATOM 276 CD LYS A 18 8.621 -5.748 -3.773 1.00 1.23 C ATOM 277 CE LYS A 18 10.115 -5.530 -4.059 1.00 31.31 C ATOM 278 NZ LYS A 18 10.569 -6.405 -5.138 1.00 1.11 N ATOM 0 H LYS A 18 10.009 -5.764 -1.636 1.00 50.35 H new ATOM 0 HA LYS A 18 9.104 -8.266 -0.344 1.00 2.43 H new ATOM 0 HB2 LYS A 18 7.809 -8.817 -2.246 1.00 21.00 H new ATOM 0 HB3 LYS A 18 7.329 -7.224 -1.696 1.00 21.00 H new ATOM 0 HG2 LYS A 18 9.003 -7.841 -4.135 1.00 64.02 H new ATOM 0 HG3 LYS A 18 7.302 -7.420 -4.121 1.00 64.02 H new ATOM 0 HD2 LYS A 18 8.034 -5.318 -4.584 1.00 1.23 H new ATOM 0 HD3 LYS A 18 8.348 -5.213 -2.864 1.00 1.23 H new ATOM 0 HE2 LYS A 18 10.290 -4.489 -4.331 1.00 31.31 H new ATOM 0 HE3 LYS A 18 10.695 -5.726 -3.157 1.00 31.31 H new ATOM 0 HZ1 LYS A 18 11.287 -5.912 -5.706 1.00 1.11 H new ATOM 0 HZ2 LYS A 18 10.981 -7.270 -4.733 1.00 1.11 H new ATOM 0 HZ3 LYS A 18 9.762 -6.657 -5.744 1.00 1.11 H new ATOM 292 N PRO A 19 10.940 -9.629 -1.359 1.00 60.32 N ATOM 293 CA PRO A 19 12.200 -10.277 -1.739 1.00 3.14 C ATOM 294 C PRO A 19 12.118 -11.025 -3.070 1.00 14.03 C ATOM 295 O PRO A 19 11.057 -11.075 -3.736 1.00 1.42 O ATOM 296 CB PRO A 19 12.416 -11.257 -0.595 1.00 10.32 C ATOM 297 CG PRO A 19 11.043 -11.678 -0.214 1.00 30.23 C ATOM 298 CD PRO A 19 10.154 -10.481 -0.456 1.00 41.34 C ATOM 0 HA PRO A 19 13.004 -9.556 -1.885 1.00 3.14 H new ATOM 0 HB2 PRO A 19 13.021 -12.108 -0.908 1.00 10.32 H new ATOM 0 HB3 PRO A 19 12.935 -10.787 0.240 1.00 10.32 H new ATOM 0 HG2 PRO A 19 10.718 -12.531 -0.809 1.00 30.23 H new ATOM 0 HG3 PRO A 19 11.006 -11.986 0.831 1.00 30.23 H new ATOM 0 HD2 PRO A 19 9.206 -10.773 -0.908 1.00 41.34 H new ATOM 0 HD3 PRO A 19 9.918 -9.965 0.475 1.00 41.34 H new ATOM 306 N LYS A 20 13.216 -11.617 -3.439 1.00 2.45 N ATOM 307 CA LYS A 20 13.340 -12.314 -4.680 1.00 41.22 C ATOM 308 C LYS A 20 13.120 -13.788 -4.418 1.00 52.30 C ATOM 309 O LYS A 20 12.248 -14.424 -5.023 1.00 13.03 O ATOM 310 CB LYS A 20 14.744 -12.085 -5.243 1.00 75.22 C ATOM 311 CG LYS A 20 14.941 -12.512 -6.694 1.00 52.03 C ATOM 312 CD LYS A 20 14.054 -11.708 -7.653 1.00 3.05 C ATOM 313 CE LYS A 20 14.253 -10.198 -7.490 1.00 52.42 C ATOM 314 NZ LYS A 20 15.664 -9.789 -7.664 1.00 12.02 N ATOM 0 H LYS A 20 14.065 -11.628 -2.873 1.00 2.45 H new ATOM 0 HA LYS A 20 12.606 -11.954 -5.401 1.00 41.22 H new ATOM 0 HB2 LYS A 20 14.984 -11.025 -5.157 1.00 75.22 H new ATOM 0 HB3 LYS A 20 15.459 -12.625 -4.622 1.00 75.22 H new ATOM 0 HG2 LYS A 20 15.987 -12.382 -6.972 1.00 52.03 H new ATOM 0 HG3 LYS A 20 14.714 -13.574 -6.794 1.00 52.03 H new ATOM 0 HD2 LYS A 20 14.279 -11.994 -8.680 1.00 3.05 H new ATOM 0 HD3 LYS A 20 13.008 -11.957 -7.474 1.00 3.05 H new ATOM 0 HE2 LYS A 20 13.634 -9.673 -8.217 1.00 52.42 H new ATOM 0 HE3 LYS A 20 13.910 -9.895 -6.501 1.00 52.42 H new ATOM 0 HZ1 LYS A 20 15.778 -8.800 -7.364 1.00 12.02 H new ATOM 0 HZ2 LYS A 20 16.276 -10.399 -7.086 1.00 12.02 H new ATOM 0 HZ3 LYS A 20 15.931 -9.880 -8.665 1.00 12.02 H new ATOM 328 N GLY A 21 13.886 -14.311 -3.498 1.00 53.03 N ATOM 329 CA GLY A 21 13.780 -15.698 -3.136 1.00 45.41 C ATOM 330 C GLY A 21 14.215 -15.894 -1.720 1.00 10.43 C ATOM 331 O GLY A 21 14.671 -16.964 -1.330 1.00 11.53 O ATOM 0 H GLY A 21 14.596 -13.791 -2.982 1.00 53.03 H new ATOM 0 HA2 GLY A 21 12.751 -16.036 -3.259 1.00 45.41 H new ATOM 0 HA3 GLY A 21 14.396 -16.303 -3.801 1.00 45.41 H new ATOM 335 N GLU A 22 14.107 -14.842 -0.961 1.00 73.31 N ATOM 336 CA GLU A 22 14.497 -14.845 0.412 1.00 62.10 C ATOM 337 C GLU A 22 13.389 -15.392 1.278 1.00 1.33 C ATOM 338 O GLU A 22 12.507 -14.659 1.733 1.00 22.34 O ATOM 339 CB GLU A 22 14.913 -13.448 0.896 1.00 15.54 C ATOM 340 CG GLU A 22 16.203 -12.869 0.284 1.00 5.01 C ATOM 341 CD GLU A 22 16.229 -12.794 -1.234 1.00 41.24 C ATOM 342 OE1 GLU A 22 15.220 -12.393 -1.854 1.00 31.22 O ATOM 343 OE2 GLU A 22 17.263 -13.181 -1.831 1.00 31.13 O ATOM 0 H GLU A 22 13.740 -13.948 -1.287 1.00 73.31 H new ATOM 0 HA GLU A 22 15.368 -15.494 0.498 1.00 62.10 H new ATOM 0 HB2 GLU A 22 14.096 -12.757 0.689 1.00 15.54 H new ATOM 0 HB3 GLU A 22 15.034 -13.483 1.979 1.00 15.54 H new ATOM 0 HG2 GLU A 22 16.356 -11.866 0.683 1.00 5.01 H new ATOM 0 HG3 GLU A 22 17.046 -13.476 0.615 1.00 5.01 H new ATOM 350 N LYS A 23 13.410 -16.685 1.452 1.00 72.44 N ATOM 351 CA LYS A 23 12.476 -17.379 2.310 1.00 44.32 C ATOM 352 C LYS A 23 12.994 -17.294 3.747 1.00 54.24 C ATOM 353 O LYS A 23 12.282 -17.568 4.710 1.00 13.11 O ATOM 354 CB LYS A 23 12.338 -18.836 1.841 1.00 74.23 C ATOM 355 CG LYS A 23 11.328 -19.672 2.609 1.00 14.21 C ATOM 356 CD LYS A 23 11.198 -21.059 2.004 1.00 65.43 C ATOM 357 CE LYS A 23 10.251 -21.935 2.807 1.00 52.43 C ATOM 358 NZ LYS A 23 10.750 -22.181 4.177 1.00 62.54 N ATOM 0 H LYS A 23 14.085 -17.300 0.997 1.00 72.44 H new ATOM 0 HA LYS A 23 11.487 -16.923 2.265 1.00 44.32 H new ATOM 0 HB2 LYS A 23 12.059 -18.836 0.787 1.00 74.23 H new ATOM 0 HB3 LYS A 23 13.313 -19.318 1.913 1.00 74.23 H new ATOM 0 HG2 LYS A 23 11.636 -19.753 3.652 1.00 14.21 H new ATOM 0 HG3 LYS A 23 10.358 -19.175 2.601 1.00 14.21 H new ATOM 0 HD2 LYS A 23 10.837 -20.977 0.979 1.00 65.43 H new ATOM 0 HD3 LYS A 23 12.180 -21.530 1.959 1.00 65.43 H new ATOM 0 HE2 LYS A 23 9.272 -21.458 2.858 1.00 52.43 H new ATOM 0 HE3 LYS A 23 10.116 -22.887 2.294 1.00 52.43 H new ATOM 0 HZ1 LYS A 23 10.223 -22.971 4.602 1.00 62.54 H new ATOM 0 HZ2 LYS A 23 11.762 -22.419 4.140 1.00 62.54 H new ATOM 0 HZ3 LYS A 23 10.616 -21.326 4.754 1.00 62.54 H new ATOM 372 N LYS A 24 14.246 -16.874 3.865 1.00 72.34 N ATOM 373 CA LYS A 24 14.896 -16.665 5.143 1.00 50.22 C ATOM 374 C LYS A 24 14.245 -15.505 5.908 1.00 53.40 C ATOM 375 O LYS A 24 14.264 -15.462 7.141 1.00 70.30 O ATOM 376 CB LYS A 24 16.382 -16.376 4.942 1.00 23.35 C ATOM 377 CG LYS A 24 16.669 -15.146 4.110 1.00 40.23 C ATOM 378 CD LYS A 24 18.111 -14.749 4.218 1.00 74.32 C ATOM 379 CE LYS A 24 19.050 -15.715 3.511 1.00 24.24 C ATOM 380 NZ LYS A 24 20.451 -15.246 3.569 1.00 5.04 N ATOM 0 H LYS A 24 14.843 -16.667 3.064 1.00 72.34 H new ATOM 0 HA LYS A 24 14.782 -17.577 5.729 1.00 50.22 H new ATOM 0 HB2 LYS A 24 16.853 -16.258 5.918 1.00 23.35 H new ATOM 0 HB3 LYS A 24 16.847 -17.239 4.466 1.00 23.35 H new ATOM 0 HG2 LYS A 24 16.419 -15.341 3.067 1.00 40.23 H new ATOM 0 HG3 LYS A 24 16.036 -14.323 4.441 1.00 40.23 H new ATOM 0 HD2 LYS A 24 18.240 -13.752 3.796 1.00 74.32 H new ATOM 0 HD3 LYS A 24 18.387 -14.688 5.271 1.00 74.32 H new ATOM 0 HE2 LYS A 24 18.975 -16.700 3.972 1.00 24.24 H new ATOM 0 HE3 LYS A 24 18.745 -15.826 2.471 1.00 24.24 H new ATOM 0 HZ1 LYS A 24 21.065 -15.927 3.078 1.00 5.04 H new ATOM 0 HZ2 LYS A 24 20.525 -14.317 3.108 1.00 5.04 H new ATOM 0 HZ3 LYS A 24 20.749 -15.164 4.562 1.00 5.04 H new ATOM 394 N CYS A 25 13.645 -14.597 5.175 1.00 3.33 N ATOM 395 CA CYS A 25 13.050 -13.424 5.745 1.00 21.11 C ATOM 396 C CYS A 25 11.532 -13.585 5.789 1.00 33.00 C ATOM 397 O CYS A 25 10.940 -14.189 4.893 1.00 42.42 O ATOM 398 CB CYS A 25 13.479 -12.195 4.927 1.00 10.54 C ATOM 399 SG CYS A 25 15.259 -12.030 4.820 1.00 2.32 S ATOM 0 H CYS A 25 13.558 -14.657 4.160 1.00 3.33 H new ATOM 0 HA CYS A 25 13.391 -13.282 6.770 1.00 21.11 H new ATOM 0 HB2 CYS A 25 13.063 -12.268 3.922 1.00 10.54 H new ATOM 0 HB3 CYS A 25 13.061 -11.296 5.381 1.00 10.54 H new ATOM 0 HG CYS A 25 15.563 -11.230 3.841 1.00 2.32 H new ATOM 405 N THR A 26 10.909 -13.066 6.816 1.00 4.14 N ATOM 406 CA THR A 26 9.492 -13.193 6.974 1.00 15.24 C ATOM 407 C THR A 26 8.874 -11.838 7.366 1.00 63.20 C ATOM 408 O THR A 26 9.534 -11.010 8.022 1.00 1.33 O ATOM 409 CB THR A 26 9.145 -14.301 8.028 1.00 45.02 C ATOM 410 OG1 THR A 26 7.732 -14.517 8.104 1.00 74.40 O ATOM 411 CG2 THR A 26 9.664 -13.938 9.407 1.00 20.32 C ATOM 0 H THR A 26 11.372 -12.546 7.561 1.00 4.14 H new ATOM 0 HA THR A 26 9.063 -13.499 6.020 1.00 15.24 H new ATOM 0 HB THR A 26 9.633 -15.217 7.694 1.00 45.02 H new ATOM 0 HG1 THR A 26 7.543 -15.214 8.767 1.00 74.40 H new ATOM 0 HG21 THR A 26 9.406 -14.728 10.112 1.00 20.32 H new ATOM 0 HG22 THR A 26 10.747 -13.825 9.370 1.00 20.32 H new ATOM 0 HG23 THR A 26 9.212 -13.000 9.731 1.00 20.32 H new ATOM 419 N GLY A 27 7.661 -11.599 6.910 1.00 20.31 N ATOM 420 CA GLY A 27 6.940 -10.399 7.264 1.00 21.13 C ATOM 421 C GLY A 27 7.255 -9.254 6.344 1.00 1.34 C ATOM 422 O GLY A 27 6.735 -9.178 5.237 1.00 23.42 O ATOM 0 H GLY A 27 7.153 -12.228 6.288 1.00 20.31 H new ATOM 0 HA2 GLY A 27 5.869 -10.600 7.237 1.00 21.13 H new ATOM 0 HA3 GLY A 27 7.186 -10.118 8.288 1.00 21.13 H new ATOM 426 N GLY A 28 8.108 -8.384 6.787 1.00 12.44 N ATOM 427 CA GLY A 28 8.524 -7.279 5.991 1.00 40.42 C ATOM 428 C GLY A 28 9.926 -7.528 5.595 1.00 71.54 C ATOM 429 O GLY A 28 10.804 -7.678 6.454 1.00 50.12 O ATOM 0 H GLY A 28 8.534 -8.423 7.713 1.00 12.44 H new ATOM 0 HA2 GLY A 28 7.888 -7.178 5.111 1.00 40.42 H new ATOM 0 HA3 GLY A 28 8.442 -6.348 6.552 1.00 40.42 H new ATOM 433 N TRP A 29 10.157 -7.629 4.346 1.00 12.03 N ATOM 434 CA TRP A 29 11.417 -8.036 3.874 1.00 32.21 C ATOM 435 C TRP A 29 12.302 -6.844 3.565 1.00 3.21 C ATOM 436 O TRP A 29 12.204 -6.235 2.510 1.00 1.21 O ATOM 437 CB TRP A 29 11.171 -8.927 2.687 1.00 21.12 C ATOM 438 CG TRP A 29 10.155 -10.004 3.025 1.00 55.21 C ATOM 439 CD1 TRP A 29 10.365 -11.055 3.825 1.00 20.43 C ATOM 440 CD2 TRP A 29 8.763 -10.090 2.616 1.00 0.24 C ATOM 441 NE1 TRP A 29 9.245 -11.847 3.889 1.00 72.34 N ATOM 442 CE2 TRP A 29 8.248 -11.271 3.163 1.00 71.10 C ATOM 443 CE3 TRP A 29 7.922 -9.303 1.827 1.00 70.24 C ATOM 444 CZ2 TRP A 29 6.934 -11.687 2.948 1.00 41.33 C ATOM 445 CZ3 TRP A 29 6.623 -9.709 1.619 1.00 23.21 C ATOM 446 CH2 TRP A 29 6.139 -10.892 2.176 1.00 43.43 C ATOM 0 H TRP A 29 9.472 -7.430 3.617 1.00 12.03 H new ATOM 0 HA TRP A 29 11.967 -8.594 4.632 1.00 32.21 H new ATOM 0 HB2 TRP A 29 10.812 -8.332 1.848 1.00 21.12 H new ATOM 0 HB3 TRP A 29 12.107 -9.389 2.373 1.00 21.12 H new ATOM 0 HD1 TRP A 29 11.288 -11.254 4.349 1.00 20.43 H new ATOM 0 HE1 TRP A 29 9.172 -12.727 4.399 1.00 72.34 H new ATOM 0 HE3 TRP A 29 8.286 -8.387 1.385 1.00 70.24 H new ATOM 0 HZ2 TRP A 29 6.560 -12.605 3.377 1.00 41.33 H new ATOM 0 HZ3 TRP A 29 5.967 -9.100 1.014 1.00 23.21 H new ATOM 0 HH2 TRP A 29 5.116 -11.184 1.993 1.00 43.43 H new ATOM 457 N ARG A 30 13.110 -6.469 4.535 1.00 52.11 N ATOM 458 CA ARG A 30 13.990 -5.333 4.395 1.00 14.02 C ATOM 459 C ARG A 30 15.239 -5.674 3.658 1.00 51.14 C ATOM 460 O ARG A 30 15.879 -6.665 3.957 1.00 74.30 O ATOM 461 CB ARG A 30 14.444 -4.796 5.756 1.00 52.01 C ATOM 462 CG ARG A 30 13.389 -4.213 6.650 1.00 54.41 C ATOM 463 CD ARG A 30 14.012 -3.801 7.970 1.00 22.23 C ATOM 464 NE ARG A 30 15.122 -2.843 7.792 1.00 51.02 N ATOM 465 CZ ARG A 30 16.098 -2.624 8.689 1.00 22.14 C ATOM 466 NH1 ARG A 30 16.167 -3.351 9.797 1.00 43.11 N ATOM 467 NH2 ARG A 30 17.015 -1.702 8.448 1.00 45.01 N ATOM 0 H ARG A 30 13.174 -6.942 5.437 1.00 52.11 H new ATOM 0 HA ARG A 30 13.405 -4.593 3.849 1.00 14.02 H new ATOM 0 HB2 ARG A 30 14.931 -5.609 6.294 1.00 52.01 H new ATOM 0 HB3 ARG A 30 15.200 -4.030 5.582 1.00 52.01 H new ATOM 0 HG2 ARG A 30 12.927 -3.351 6.170 1.00 54.41 H new ATOM 0 HG3 ARG A 30 12.599 -4.944 6.822 1.00 54.41 H new ATOM 0 HD2 ARG A 30 13.248 -3.354 8.606 1.00 22.23 H new ATOM 0 HD3 ARG A 30 14.379 -4.687 8.488 1.00 22.23 H new ATOM 0 HE ARG A 30 15.150 -2.308 6.924 1.00 51.02 H new ATOM 0 HH11 ARG A 30 15.477 -4.081 9.972 1.00 43.11 H new ATOM 0 HH12 ARG A 30 16.911 -3.180 10.474 1.00 43.11 H new ATOM 0 HH21 ARG A 30 16.979 -1.161 7.584 1.00 45.01 H new ATOM 0 HH22 ARG A 30 17.758 -1.532 9.126 1.00 45.01 H new ATOM 481 N CYS A 31 15.571 -4.889 2.684 1.00 2.15 N ATOM 482 CA CYS A 31 16.918 -4.902 2.216 1.00 11.31 C ATOM 483 C CYS A 31 17.654 -4.041 3.161 1.00 11.34 C ATOM 484 O CYS A 31 17.199 -2.920 3.451 1.00 64.34 O ATOM 485 CB CYS A 31 17.080 -4.325 0.832 1.00 70.54 C ATOM 486 SG CYS A 31 16.350 -5.287 -0.442 1.00 4.01 S ATOM 0 H CYS A 31 14.943 -4.243 2.206 1.00 2.15 H new ATOM 0 HA CYS A 31 17.275 -5.931 2.162 1.00 11.31 H new ATOM 0 HB2 CYS A 31 16.642 -3.327 0.814 1.00 70.54 H new ATOM 0 HB3 CYS A 31 18.143 -4.211 0.621 1.00 70.54 H new ATOM 0 HG CYS A 31 15.785 -6.337 0.076 1.00 4.01 H new ATOM 492 N LYS A 32 18.700 -4.539 3.700 1.00 42.43 N ATOM 493 CA LYS A 32 19.484 -3.786 4.600 1.00 12.32 C ATOM 494 C LYS A 32 20.922 -3.868 4.175 1.00 43.10 C ATOM 495 O LYS A 32 21.632 -4.802 4.566 1.00 41.32 O ATOM 496 CB LYS A 32 19.298 -4.282 6.030 1.00 12.13 C ATOM 497 CG LYS A 32 20.115 -3.525 7.061 1.00 43.22 C ATOM 498 CD LYS A 32 20.075 -4.227 8.393 1.00 73.41 C ATOM 499 CE LYS A 32 20.969 -3.551 9.403 1.00 5.31 C ATOM 500 NZ LYS A 32 21.051 -4.317 10.661 1.00 42.22 N ATOM 0 H LYS A 32 19.039 -5.486 3.529 1.00 42.43 H new ATOM 0 HA LYS A 32 19.165 -2.744 4.581 1.00 12.32 H new ATOM 0 HB2 LYS A 32 18.243 -4.209 6.294 1.00 12.13 H new ATOM 0 HB3 LYS A 32 19.565 -5.338 6.074 1.00 12.13 H new ATOM 0 HG2 LYS A 32 21.147 -3.438 6.721 1.00 43.22 H new ATOM 0 HG3 LYS A 32 19.727 -2.512 7.167 1.00 43.22 H new ATOM 0 HD2 LYS A 32 19.051 -4.243 8.766 1.00 73.41 H new ATOM 0 HD3 LYS A 32 20.385 -5.264 8.268 1.00 73.41 H new ATOM 0 HE2 LYS A 32 21.968 -3.434 8.983 1.00 5.31 H new ATOM 0 HE3 LYS A 32 20.591 -2.550 9.611 1.00 5.31 H new ATOM 0 HZ1 LYS A 32 21.674 -3.821 11.330 1.00 42.22 H new ATOM 0 HZ2 LYS A 32 20.101 -4.408 11.075 1.00 42.22 H new ATOM 0 HZ3 LYS A 32 21.436 -5.264 10.467 1.00 42.22 H new ATOM 514 N ILE A 33 21.284 -2.936 3.272 1.00 72.40 N ATOM 515 CA ILE A 33 22.642 -2.681 2.682 1.00 45.15 C ATOM 516 C ILE A 33 23.394 -3.882 2.062 1.00 43.11 C ATOM 517 O ILE A 33 24.002 -3.752 1.000 1.00 75.05 O ATOM 518 CB ILE A 33 23.588 -1.835 3.593 1.00 72.12 C ATOM 519 CG1 ILE A 33 23.858 -2.526 4.942 1.00 64.05 C ATOM 520 CG2 ILE A 33 23.003 -0.441 3.804 1.00 62.21 C ATOM 521 CD1 ILE A 33 24.815 -1.779 5.835 1.00 52.44 C ATOM 0 H ILE A 33 20.593 -2.285 2.898 1.00 72.40 H new ATOM 0 HA ILE A 33 22.361 -2.075 1.821 1.00 45.15 H new ATOM 0 HB ILE A 33 24.548 -1.744 3.084 1.00 72.12 H new ATOM 0 HG12 ILE A 33 22.912 -2.654 5.468 1.00 64.05 H new ATOM 0 HG13 ILE A 33 24.256 -3.523 4.754 1.00 64.05 H new ATOM 0 HG21 ILE A 33 23.670 0.141 4.440 1.00 62.21 H new ATOM 0 HG22 ILE A 33 22.894 0.057 2.841 1.00 62.21 H new ATOM 0 HG23 ILE A 33 22.027 -0.525 4.282 1.00 62.21 H new ATOM 0 HD11 ILE A 33 24.952 -2.331 6.765 1.00 52.44 H new ATOM 0 HD12 ILE A 33 25.776 -1.673 5.331 1.00 52.44 H new ATOM 0 HD13 ILE A 33 24.411 -0.791 6.056 1.00 52.44 H new ATOM 533 N LYS A 34 23.364 -5.003 2.702 1.00 53.34 N ATOM 534 CA LYS A 34 24.064 -6.173 2.253 1.00 1.14 C ATOM 535 C LYS A 34 23.091 -7.290 1.914 1.00 22.03 C ATOM 536 O LYS A 34 23.206 -7.945 0.870 1.00 45.22 O ATOM 537 CB LYS A 34 25.044 -6.636 3.352 1.00 15.11 C ATOM 538 CG LYS A 34 25.753 -7.950 3.056 1.00 33.52 C ATOM 539 CD LYS A 34 26.704 -8.339 4.176 1.00 24.11 C ATOM 540 CE LYS A 34 27.339 -9.708 3.928 1.00 50.20 C ATOM 541 NZ LYS A 34 28.065 -9.775 2.639 1.00 34.21 N ATOM 0 H LYS A 34 22.844 -5.140 3.569 1.00 53.34 H new ATOM 0 HA LYS A 34 24.620 -5.925 1.349 1.00 1.14 H new ATOM 0 HB2 LYS A 34 25.794 -5.859 3.502 1.00 15.11 H new ATOM 0 HB3 LYS A 34 24.497 -6.737 4.289 1.00 15.11 H new ATOM 0 HG2 LYS A 34 25.014 -8.739 2.915 1.00 33.52 H new ATOM 0 HG3 LYS A 34 26.307 -7.862 2.122 1.00 33.52 H new ATOM 0 HD2 LYS A 34 27.487 -7.586 4.267 1.00 24.11 H new ATOM 0 HD3 LYS A 34 26.164 -8.354 5.123 1.00 24.11 H new ATOM 0 HE2 LYS A 34 28.028 -9.937 4.741 1.00 50.20 H new ATOM 0 HE3 LYS A 34 26.562 -10.473 3.943 1.00 50.20 H new ATOM 0 HZ1 LYS A 34 28.587 -10.672 2.581 1.00 34.21 H new ATOM 0 HZ2 LYS A 34 27.385 -9.719 1.854 1.00 34.21 H new ATOM 0 HZ3 LYS A 34 28.733 -8.981 2.575 1.00 34.21 H new ATOM 555 N LEU A 35 22.117 -7.482 2.759 1.00 5.03 N ATOM 556 CA LEU A 35 21.247 -8.625 2.634 1.00 42.33 C ATOM 557 C LEU A 35 19.821 -8.307 2.992 1.00 44.51 C ATOM 558 O LEU A 35 19.478 -7.145 3.224 1.00 44.33 O ATOM 559 CB LEU A 35 21.813 -9.776 3.488 1.00 71.12 C ATOM 560 CG LEU A 35 22.292 -9.425 4.915 1.00 23.23 C ATOM 561 CD1 LEU A 35 21.148 -9.148 5.888 1.00 32.24 C ATOM 562 CD2 LEU A 35 23.226 -10.489 5.450 1.00 63.31 C ATOM 0 H LEU A 35 21.903 -6.864 3.542 1.00 5.03 H new ATOM 0 HA LEU A 35 21.220 -8.931 1.588 1.00 42.33 H new ATOM 0 HB2 LEU A 35 21.046 -10.546 3.569 1.00 71.12 H new ATOM 0 HB3 LEU A 35 22.651 -10.217 2.949 1.00 71.12 H new ATOM 0 HG LEU A 35 22.844 -8.489 4.831 1.00 23.23 H new ATOM 0 HD11 LEU A 35 21.556 -8.908 6.870 1.00 32.24 H new ATOM 0 HD12 LEU A 35 20.557 -8.307 5.525 1.00 32.24 H new ATOM 0 HD13 LEU A 35 20.513 -10.031 5.964 1.00 32.24 H new ATOM 0 HD21 LEU A 35 23.548 -10.218 6.455 1.00 63.31 H new ATOM 0 HD22 LEU A 35 22.707 -11.447 5.481 1.00 63.31 H new ATOM 0 HD23 LEU A 35 24.097 -10.570 4.799 1.00 63.31 H new ATOM 574 N CYS A 36 19.009 -9.329 3.031 1.00 51.43 N ATOM 575 CA CYS A 36 17.628 -9.200 3.389 1.00 75.22 C ATOM 576 C CYS A 36 17.512 -9.493 4.857 1.00 14.54 C ATOM 577 O CYS A 36 18.079 -10.471 5.348 1.00 25.01 O ATOM 578 CB CYS A 36 16.753 -10.181 2.587 1.00 1.45 C ATOM 579 SG CYS A 36 14.953 -10.058 2.894 1.00 64.43 S ATOM 0 H CYS A 36 19.294 -10.284 2.812 1.00 51.43 H new ATOM 0 HA CYS A 36 17.280 -8.192 3.163 1.00 75.22 H new ATOM 0 HB2 CYS A 36 16.935 -10.019 1.525 1.00 1.45 H new ATOM 0 HB3 CYS A 36 17.075 -11.197 2.814 1.00 1.45 H new ATOM 0 HG CYS A 36 14.657 -10.683 3.995 1.00 64.43 H new ATOM 585 N LEU A 37 16.830 -8.657 5.548 1.00 60.23 N ATOM 586 CA LEU A 37 16.638 -8.811 6.910 1.00 42.31 C ATOM 587 C LEU A 37 15.162 -8.627 7.210 1.00 45.22 C ATOM 588 O LEU A 37 14.598 -7.576 6.930 1.00 0.13 O ATOM 589 CB LEU A 37 17.464 -7.773 7.658 1.00 21.12 C ATOM 590 CG LEU A 37 17.383 -7.882 9.159 1.00 25.31 C ATOM 591 CD1 LEU A 37 18.097 -9.136 9.658 1.00 15.23 C ATOM 592 CD2 LEU A 37 17.891 -6.635 9.845 1.00 43.35 C ATOM 0 H LEU A 37 16.384 -7.828 5.154 1.00 60.23 H new ATOM 0 HA LEU A 37 16.955 -9.804 7.231 1.00 42.31 H new ATOM 0 HB2 LEU A 37 18.507 -7.867 7.354 1.00 21.12 H new ATOM 0 HB3 LEU A 37 17.134 -6.778 7.359 1.00 21.12 H new ATOM 0 HG LEU A 37 16.330 -7.976 9.423 1.00 25.31 H new ATOM 0 HD11 LEU A 37 18.023 -9.189 10.744 1.00 15.23 H new ATOM 0 HD12 LEU A 37 17.632 -10.019 9.219 1.00 15.23 H new ATOM 0 HD13 LEU A 37 19.147 -9.097 9.368 1.00 15.23 H new ATOM 0 HD21 LEU A 37 17.814 -6.757 10.925 1.00 43.35 H new ATOM 0 HD22 LEU A 37 18.933 -6.468 9.572 1.00 43.35 H new ATOM 0 HD23 LEU A 37 17.293 -5.779 9.533 1.00 43.35 H new ATOM 604 N LYS A 38 14.526 -9.678 7.669 1.00 71.33 N ATOM 605 CA LYS A 38 13.155 -9.620 8.122 1.00 71.53 C ATOM 606 C LYS A 38 12.958 -8.537 9.188 1.00 64.11 C ATOM 607 O LYS A 38 13.833 -8.317 10.054 1.00 41.24 O ATOM 608 CB LYS A 38 12.752 -10.960 8.700 1.00 74.42 C ATOM 609 CG LYS A 38 13.549 -11.395 9.907 1.00 70.24 C ATOM 610 CD LYS A 38 13.022 -12.690 10.413 1.00 71.13 C ATOM 611 CE LYS A 38 13.752 -13.151 11.664 1.00 44.02 C ATOM 612 NZ LYS A 38 13.221 -14.430 12.172 1.00 64.51 N ATOM 0 H LYS A 38 14.947 -10.604 7.740 1.00 71.33 H new ATOM 0 HA LYS A 38 12.532 -9.374 7.262 1.00 71.53 H new ATOM 0 HB2 LYS A 38 11.698 -10.919 8.974 1.00 74.42 H new ATOM 0 HB3 LYS A 38 12.851 -11.719 7.924 1.00 74.42 H new ATOM 0 HG2 LYS A 38 14.601 -11.498 9.643 1.00 70.24 H new ATOM 0 HG3 LYS A 38 13.489 -10.637 10.688 1.00 70.24 H new ATOM 0 HD2 LYS A 38 11.959 -12.589 10.630 1.00 71.13 H new ATOM 0 HD3 LYS A 38 13.118 -13.449 9.637 1.00 71.13 H new ATOM 0 HE2 LYS A 38 14.814 -13.261 11.445 1.00 44.02 H new ATOM 0 HE3 LYS A 38 13.663 -12.388 12.438 1.00 44.02 H new ATOM 0 HZ1 LYS A 38 13.746 -14.709 13.025 1.00 64.51 H new ATOM 0 HZ2 LYS A 38 12.214 -14.319 12.406 1.00 64.51 H new ATOM 0 HZ3 LYS A 38 13.329 -15.164 11.444 1.00 64.51 H new ATOM 626 N ILE A 39 11.865 -7.853 9.108 1.00 41.32 N ATOM 627 CA ILE A 39 11.521 -6.882 10.096 1.00 12.22 C ATOM 628 C ILE A 39 10.381 -7.473 10.922 1.00 71.13 C ATOM 629 O ILE A 39 10.571 -7.721 12.126 1.00 4.11 O ATOM 630 CB ILE A 39 11.191 -5.461 9.451 1.00 43.33 C ATOM 631 CG1 ILE A 39 11.141 -4.305 10.476 1.00 2.21 C ATOM 632 CG2 ILE A 39 9.946 -5.456 8.588 1.00 72.42 C ATOM 633 CD1 ILE A 39 10.007 -4.346 11.491 1.00 4.35 C ATOM 634 OXT ILE A 39 9.339 -7.832 10.332 1.00 0.00 O ATOM 0 H ILE A 39 11.184 -7.951 8.355 1.00 41.32 H new ATOM 0 HA ILE A 39 12.365 -6.673 10.754 1.00 12.22 H new ATOM 0 HB ILE A 39 12.043 -5.277 8.796 1.00 43.33 H new ATOM 0 HG12 ILE A 39 12.085 -4.290 11.020 1.00 2.21 H new ATOM 0 HG13 ILE A 39 11.074 -3.365 9.928 1.00 2.21 H new ATOM 0 HG21 ILE A 39 9.787 -4.456 8.185 1.00 72.42 H new ATOM 0 HG22 ILE A 39 10.069 -6.163 7.767 1.00 72.42 H new ATOM 0 HG23 ILE A 39 9.085 -5.746 9.190 1.00 72.42 H new ATOM 0 HD11 ILE A 39 10.080 -3.484 12.153 1.00 4.35 H new ATOM 0 HD12 ILE A 39 9.050 -4.322 10.969 1.00 4.35 H new ATOM 0 HD13 ILE A 39 10.077 -5.262 12.078 1.00 4.35 H new