USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 558 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 12 TYR OH : rot -9:sc= 1.17 USER MOD Set 1.2: B 17 THR OG1 : rot 96:sc= 2.25 USER MOD Set 2.1: A 17 THR OG1 : rot 99:sc= 2.32 USER MOD Set 2.2: B 12 TYR OH : rot -146:sc= 1.05 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 LYS NZ :NH3+ 158:sc= -0.0188 (180deg=-0.281) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 ASP N :NH3+ 131:sc= 0.0535 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -154:sc= -0.189 (180deg=-0.932) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -2:sc= 0.113 USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B -1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B -2 SER OG : rot 180:sc= 0 USER MOD Single : B -3 ASP N :NH3+ -170:sc= 0.0419 (180deg=-0.229) USER MOD Single : B 24 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.155) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A -3 -22.704 7.769 -6.412 1.00 0.00 N ATOM 2 CA ASP A -3 -22.840 6.687 -7.426 1.00 0.00 C ATOM 3 C ASP A -3 -22.516 5.339 -6.778 1.00 0.00 C ATOM 4 O ASP A -3 -21.723 5.253 -5.863 1.00 0.00 O ATOM 5 CB ASP A -3 -21.870 6.943 -8.580 1.00 0.00 C ATOM 6 CG ASP A -3 -22.101 5.906 -9.679 1.00 0.00 C ATOM 7 OD1 ASP A -3 -23.058 5.157 -9.570 1.00 0.00 O ATOM 8 OD2 ASP A -3 -21.316 5.876 -10.613 1.00 0.00 O ATOM 0 H1 ASP A -3 -22.125 8.540 -6.802 1.00 0.00 H new ATOM 0 H2 ASP A -3 -23.646 8.134 -6.165 1.00 0.00 H new ATOM 0 H3 ASP A -3 -22.245 7.390 -5.559 1.00 0.00 H new ATOM 0 HA ASP A -3 -23.861 6.673 -7.807 1.00 0.00 H new ATOM 0 HB2 ASP A -3 -22.017 7.948 -8.976 1.00 0.00 H new ATOM 0 HB3 ASP A -3 -20.841 6.888 -8.224 1.00 0.00 H new ATOM 13 N SER A -2 -23.128 4.285 -7.244 1.00 0.00 N ATOM 14 CA SER A -2 -22.859 2.943 -6.656 1.00 0.00 C ATOM 15 C SER A -2 -21.399 2.555 -6.902 1.00 0.00 C ATOM 16 O SER A -2 -20.793 1.855 -6.115 1.00 0.00 O ATOM 17 CB SER A -2 -23.777 1.908 -7.307 1.00 0.00 C ATOM 18 OG SER A -2 -25.124 2.356 -7.221 1.00 0.00 O ATOM 0 H SER A -2 -23.804 4.296 -8.008 1.00 0.00 H new ATOM 0 HA SER A -2 -23.048 2.975 -5.583 1.00 0.00 H new ATOM 0 HB2 SER A -2 -23.496 1.761 -8.350 1.00 0.00 H new ATOM 0 HB3 SER A -2 -23.669 0.945 -6.809 1.00 0.00 H new ATOM 0 HG SER A -2 -25.716 1.696 -7.639 1.00 0.00 H new ATOM 24 N LYS A -1 -20.830 3.000 -7.989 1.00 0.00 N ATOM 25 CA LYS A -1 -19.411 2.650 -8.287 1.00 0.00 C ATOM 26 C LYS A -1 -18.477 3.567 -7.493 1.00 0.00 C ATOM 27 O LYS A -1 -17.283 3.593 -7.713 1.00 0.00 O ATOM 28 CB LYS A -1 -19.143 2.826 -9.785 1.00 0.00 C ATOM 29 CG LYS A -1 -20.229 2.113 -10.599 1.00 0.00 C ATOM 30 CD LYS A -1 -20.174 0.604 -10.334 1.00 0.00 C ATOM 31 CE LYS A -1 -20.930 -0.139 -11.440 1.00 0.00 C ATOM 32 NZ LYS A -1 -20.116 -0.131 -12.689 1.00 0.00 N ATOM 0 H LYS A -1 -21.286 3.591 -8.684 1.00 0.00 H new ATOM 0 HA LYS A -1 -19.229 1.613 -8.003 1.00 0.00 H new ATOM 0 HB2 LYS A -1 -19.125 3.886 -10.038 1.00 0.00 H new ATOM 0 HB3 LYS A -1 -18.163 2.421 -10.038 1.00 0.00 H new ATOM 0 HG2 LYS A -1 -21.211 2.502 -10.331 1.00 0.00 H new ATOM 0 HG3 LYS A -1 -20.087 2.310 -11.662 1.00 0.00 H new ATOM 0 HD2 LYS A -1 -19.138 0.268 -10.299 1.00 0.00 H new ATOM 0 HD3 LYS A -1 -20.615 0.379 -9.363 1.00 0.00 H new ATOM 0 HE2 LYS A -1 -21.132 -1.165 -11.131 1.00 0.00 H new ATOM 0 HE3 LYS A -1 -21.895 0.336 -11.619 1.00 0.00 H new ATOM 0 HZ1 LYS A -1 -20.418 -0.913 -13.305 1.00 0.00 H new ATOM 0 HZ2 LYS A -1 -20.251 0.773 -13.186 1.00 0.00 H new ATOM 0 HZ3 LYS A -1 -19.111 -0.247 -12.449 1.00 0.00 H new ATOM 46 N LEU A 1 -19.009 4.322 -6.570 1.00 0.00 N ATOM 47 CA LEU A 1 -18.149 5.235 -5.764 1.00 0.00 C ATOM 48 C LEU A 1 -16.995 4.433 -5.156 1.00 0.00 C ATOM 49 O LEU A 1 -15.869 4.885 -5.107 1.00 0.00 O ATOM 50 CB LEU A 1 -18.990 5.865 -4.645 1.00 0.00 C ATOM 51 CG LEU A 1 -18.142 6.836 -3.808 1.00 0.00 C ATOM 52 CD1 LEU A 1 -17.685 8.026 -4.670 1.00 0.00 C ATOM 53 CD2 LEU A 1 -18.987 7.346 -2.636 1.00 0.00 C ATOM 0 H LEU A 1 -20.002 4.346 -6.339 1.00 0.00 H new ATOM 0 HA LEU A 1 -17.746 6.023 -6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -19.839 6.395 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -19.395 5.082 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 1 -17.259 6.316 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -17.085 8.705 -4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -17.087 7.662 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -18.558 8.555 -5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -18.396 8.036 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -19.868 7.861 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -19.300 6.503 -2.019 1.00 0.00 H new ATOM 65 N CYS A 2 -17.269 3.246 -4.692 1.00 0.00 N ATOM 66 CA CYS A 2 -16.192 2.414 -4.084 1.00 0.00 C ATOM 67 C CYS A 2 -15.106 2.139 -5.128 1.00 0.00 C ATOM 68 O CYS A 2 -13.962 1.899 -4.798 1.00 0.00 O ATOM 69 CB CYS A 2 -16.783 1.089 -3.598 1.00 0.00 C ATOM 70 SG CYS A 2 -15.619 0.292 -2.466 1.00 0.00 S ATOM 0 H CYS A 2 -18.193 2.815 -4.707 1.00 0.00 H new ATOM 0 HA CYS A 2 -15.755 2.947 -3.240 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -17.734 1.265 -3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -16.987 0.436 -4.447 1.00 0.00 H new ATOM 75 N TYR A 3 -15.456 2.170 -6.383 1.00 0.00 N ATOM 76 CA TYR A 3 -14.446 1.908 -7.447 1.00 0.00 C ATOM 77 C TYR A 3 -13.413 3.039 -7.465 1.00 0.00 C ATOM 78 O TYR A 3 -12.287 2.857 -7.885 1.00 0.00 O ATOM 79 CB TYR A 3 -15.148 1.836 -8.804 1.00 0.00 C ATOM 80 CG TYR A 3 -14.203 1.260 -9.831 1.00 0.00 C ATOM 81 CD1 TYR A 3 -14.021 -0.126 -9.915 1.00 0.00 C ATOM 82 CD2 TYR A 3 -13.507 2.110 -10.700 1.00 0.00 C ATOM 83 CE1 TYR A 3 -13.145 -0.661 -10.867 1.00 0.00 C ATOM 84 CE2 TYR A 3 -12.631 1.575 -11.651 1.00 0.00 C ATOM 85 CZ TYR A 3 -12.450 0.189 -11.735 1.00 0.00 C ATOM 86 OH TYR A 3 -11.587 -0.339 -12.673 1.00 0.00 O ATOM 0 H TYR A 3 -16.399 2.366 -6.719 1.00 0.00 H new ATOM 0 HA TYR A 3 -13.942 0.963 -7.245 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.042 1.217 -8.730 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.473 2.830 -9.110 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -14.557 -0.782 -9.245 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -13.647 3.179 -10.636 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -13.005 -1.730 -10.932 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.094 2.231 -12.320 1.00 0.00 H new ATOM 0 HH TYR A 3 -11.187 0.388 -13.195 1.00 0.00 H new ATOM 96 N LEU A 4 -13.789 4.208 -7.021 1.00 0.00 N ATOM 97 CA LEU A 4 -12.831 5.351 -7.021 1.00 0.00 C ATOM 98 C LEU A 4 -11.860 5.217 -5.845 1.00 0.00 C ATOM 99 O LEU A 4 -10.662 5.342 -6.001 1.00 0.00 O ATOM 100 CB LEU A 4 -13.614 6.666 -6.901 1.00 0.00 C ATOM 101 CG LEU A 4 -12.654 7.853 -6.730 1.00 0.00 C ATOM 102 CD1 LEU A 4 -11.598 7.846 -7.843 1.00 0.00 C ATOM 103 CD2 LEU A 4 -13.457 9.156 -6.796 1.00 0.00 C ATOM 0 H LEU A 4 -14.718 4.421 -6.658 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.262 5.348 -7.951 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -14.228 6.813 -7.790 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.293 6.615 -6.050 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.150 7.773 -5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.924 8.692 -7.710 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.028 6.918 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.091 7.923 -8.812 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.784 10.005 -6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.959 9.225 -7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -14.200 9.166 -5.999 1.00 0.00 H new ATOM 115 N LEU A 5 -12.365 4.973 -4.665 1.00 0.00 N ATOM 116 CA LEU A 5 -11.463 4.843 -3.486 1.00 0.00 C ATOM 117 C LEU A 5 -10.574 3.609 -3.661 1.00 0.00 C ATOM 118 O LEU A 5 -9.376 3.664 -3.466 1.00 0.00 O ATOM 119 CB LEU A 5 -12.303 4.701 -2.207 1.00 0.00 C ATOM 120 CG LEU A 5 -12.797 6.077 -1.749 1.00 0.00 C ATOM 121 CD1 LEU A 5 -13.762 6.653 -2.788 1.00 0.00 C ATOM 122 CD2 LEU A 5 -13.519 5.936 -0.407 1.00 0.00 C ATOM 0 H LEU A 5 -13.359 4.859 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.837 5.732 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -13.152 4.043 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.707 4.239 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.945 6.748 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -14.111 7.632 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.249 6.754 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -14.615 5.984 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -13.871 6.914 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.369 5.263 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.831 5.530 0.335 1.00 0.00 H new ATOM 134 N ASP A 6 -11.150 2.499 -4.027 1.00 0.00 N ATOM 135 CA ASP A 6 -10.334 1.268 -4.214 1.00 0.00 C ATOM 136 C ASP A 6 -9.299 1.509 -5.313 1.00 0.00 C ATOM 137 O ASP A 6 -8.176 1.055 -5.231 1.00 0.00 O ATOM 138 CB ASP A 6 -11.246 0.107 -4.617 1.00 0.00 C ATOM 139 CG ASP A 6 -12.174 -0.243 -3.453 1.00 0.00 C ATOM 140 OD1 ASP A 6 -11.715 -0.202 -2.323 1.00 0.00 O ATOM 141 OD2 ASP A 6 -13.328 -0.546 -3.710 1.00 0.00 O ATOM 0 H ASP A 6 -12.149 2.391 -4.204 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.826 1.022 -3.282 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.833 0.380 -5.494 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.647 -0.761 -4.892 1.00 0.00 H new ATOM 146 N GLY A 7 -9.670 2.218 -6.343 1.00 0.00 N ATOM 147 CA GLY A 7 -8.708 2.482 -7.450 1.00 0.00 C ATOM 148 C GLY A 7 -7.468 3.196 -6.904 1.00 0.00 C ATOM 149 O GLY A 7 -6.353 2.776 -7.131 1.00 0.00 O ATOM 0 H GLY A 7 -10.597 2.626 -6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.419 1.544 -7.924 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.182 3.094 -8.217 1.00 0.00 H new ATOM 153 N ILE A 8 -7.650 4.275 -6.194 1.00 0.00 N ATOM 154 CA ILE A 8 -6.473 5.011 -5.649 1.00 0.00 C ATOM 155 C ILE A 8 -5.707 4.118 -4.668 1.00 0.00 C ATOM 156 O ILE A 8 -4.515 3.923 -4.799 1.00 0.00 O ATOM 157 CB ILE A 8 -6.948 6.278 -4.934 1.00 0.00 C ATOM 158 CG1 ILE A 8 -7.755 7.135 -5.915 1.00 0.00 C ATOM 159 CG2 ILE A 8 -5.735 7.072 -4.438 1.00 0.00 C ATOM 160 CD1 ILE A 8 -8.331 8.351 -5.187 1.00 0.00 C ATOM 0 H ILE A 8 -8.559 4.678 -5.968 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.810 5.286 -6.469 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.573 6.007 -4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.118 7.460 -6.738 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.561 6.544 -6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.074 7.974 -3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.158 6.460 -3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.109 7.348 -5.287 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.904 8.957 -5.889 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.983 8.017 -4.380 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.517 8.947 -4.773 1.00 0.00 H new ATOM 172 N LEU A 9 -6.373 3.578 -3.684 1.00 0.00 N ATOM 173 CA LEU A 9 -5.666 2.707 -2.703 1.00 0.00 C ATOM 174 C LEU A 9 -5.005 1.542 -3.442 1.00 0.00 C ATOM 175 O LEU A 9 -3.874 1.186 -3.175 1.00 0.00 O ATOM 176 CB LEU A 9 -6.668 2.155 -1.684 1.00 0.00 C ATOM 177 CG LEU A 9 -7.432 3.305 -1.015 1.00 0.00 C ATOM 178 CD1 LEU A 9 -8.648 2.740 -0.277 1.00 0.00 C ATOM 179 CD2 LEU A 9 -6.526 4.031 -0.010 1.00 0.00 C ATOM 0 H LEU A 9 -7.372 3.702 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.907 3.293 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.369 1.483 -2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.144 1.569 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.753 4.011 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.194 3.554 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.301 2.232 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.316 2.032 0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.080 4.845 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.197 3.329 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.657 4.435 -0.529 1.00 0.00 H new ATOM 191 N PHE A 10 -5.702 0.946 -4.370 1.00 0.00 N ATOM 192 CA PHE A 10 -5.116 -0.198 -5.125 1.00 0.00 C ATOM 193 C PHE A 10 -3.866 0.271 -5.874 1.00 0.00 C ATOM 194 O PHE A 10 -2.794 -0.278 -5.717 1.00 0.00 O ATOM 195 CB PHE A 10 -6.146 -0.723 -6.126 1.00 0.00 C ATOM 196 CG PHE A 10 -5.604 -1.951 -6.814 1.00 0.00 C ATOM 197 CD1 PHE A 10 -5.777 -3.213 -6.231 1.00 0.00 C ATOM 198 CD2 PHE A 10 -4.933 -1.831 -8.035 1.00 0.00 C ATOM 199 CE1 PHE A 10 -5.279 -4.353 -6.870 1.00 0.00 C ATOM 200 CE2 PHE A 10 -4.432 -2.971 -8.674 1.00 0.00 C ATOM 201 CZ PHE A 10 -4.605 -4.232 -8.092 1.00 0.00 C ATOM 0 H PHE A 10 -6.652 1.202 -4.638 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.844 -0.993 -4.431 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.077 -0.963 -5.613 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.377 0.047 -6.863 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.295 -3.306 -5.288 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.801 -0.858 -8.485 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.414 -5.326 -6.422 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.912 -2.878 -9.616 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.219 -5.112 -8.585 1.00 0.00 H new ATOM 211 N ILE A 11 -3.993 1.284 -6.687 1.00 0.00 N ATOM 212 CA ILE A 11 -2.810 1.784 -7.442 1.00 0.00 C ATOM 213 C ILE A 11 -1.688 2.125 -6.458 1.00 0.00 C ATOM 214 O ILE A 11 -0.526 1.884 -6.718 1.00 0.00 O ATOM 215 CB ILE A 11 -3.197 3.035 -8.231 1.00 0.00 C ATOM 216 CG1 ILE A 11 -4.204 2.656 -9.320 1.00 0.00 C ATOM 217 CG2 ILE A 11 -1.951 3.641 -8.879 1.00 0.00 C ATOM 218 CD1 ILE A 11 -4.817 3.924 -9.915 1.00 0.00 C ATOM 0 H ILE A 11 -4.864 1.786 -6.861 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.467 1.014 -8.133 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.644 3.765 -7.556 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.710 2.078 -10.101 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.987 2.023 -8.901 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.230 4.532 -9.441 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.233 3.910 -8.105 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.501 2.913 -9.554 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.534 3.653 -10.690 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.326 4.485 -9.131 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.029 4.540 -10.349 1.00 0.00 H new ATOM 230 N TYR A 12 -2.028 2.684 -5.329 1.00 0.00 N ATOM 231 CA TYR A 12 -0.983 3.041 -4.328 1.00 0.00 C ATOM 232 C TYR A 12 -0.233 1.779 -3.895 1.00 0.00 C ATOM 233 O TYR A 12 0.965 1.796 -3.700 1.00 0.00 O ATOM 234 CB TYR A 12 -1.647 3.682 -3.106 1.00 0.00 C ATOM 235 CG TYR A 12 -0.596 3.987 -2.064 1.00 0.00 C ATOM 236 CD1 TYR A 12 -0.271 3.029 -1.097 1.00 0.00 C ATOM 237 CD2 TYR A 12 0.053 5.229 -2.067 1.00 0.00 C ATOM 238 CE1 TYR A 12 0.702 3.311 -0.132 1.00 0.00 C ATOM 239 CE2 TYR A 12 1.027 5.510 -1.100 1.00 0.00 C ATOM 240 CZ TYR A 12 1.352 4.550 -0.134 1.00 0.00 C ATOM 241 OH TYR A 12 2.311 4.828 0.818 1.00 0.00 O ATOM 0 H TYR A 12 -2.985 2.909 -5.056 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.280 3.745 -4.774 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.162 4.597 -3.397 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -2.399 3.010 -2.693 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.771 2.072 -1.096 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.197 5.968 -2.813 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.951 2.572 0.615 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.527 6.467 -1.100 1.00 0.00 H new ATOM 0 HH TYR A 12 2.313 4.121 1.497 1.00 0.00 H new ATOM 251 N GLY A 13 -0.930 0.686 -3.736 1.00 0.00 N ATOM 252 CA GLY A 13 -0.253 -0.572 -3.309 1.00 0.00 C ATOM 253 C GLY A 13 0.728 -1.030 -4.390 1.00 0.00 C ATOM 254 O GLY A 13 1.816 -1.486 -4.101 1.00 0.00 O ATOM 0 H GLY A 13 -1.936 0.610 -3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.277 -0.409 -2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.994 -1.350 -3.126 1.00 0.00 H new ATOM 258 N VAL A 14 0.348 -0.922 -5.634 1.00 0.00 N ATOM 259 CA VAL A 14 1.257 -1.362 -6.731 1.00 0.00 C ATOM 260 C VAL A 14 2.480 -0.443 -6.801 1.00 0.00 C ATOM 261 O VAL A 14 3.597 -0.895 -6.952 1.00 0.00 O ATOM 262 CB VAL A 14 0.505 -1.309 -8.063 1.00 0.00 C ATOM 263 CG1 VAL A 14 1.468 -1.640 -9.207 1.00 0.00 C ATOM 264 CG2 VAL A 14 -0.637 -2.328 -8.046 1.00 0.00 C ATOM 0 H VAL A 14 -0.551 -0.549 -5.938 1.00 0.00 H new ATOM 0 HA VAL A 14 1.588 -2.381 -6.533 1.00 0.00 H new ATOM 0 HB VAL A 14 0.097 -0.309 -8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.933 -1.602 -10.156 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.281 -0.914 -9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.877 -2.640 -9.061 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.173 -2.290 -8.995 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.230 -3.328 -7.899 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.323 -2.092 -7.232 1.00 0.00 H new ATOM 274 N ILE A 15 2.279 0.843 -6.709 1.00 0.00 N ATOM 275 CA ILE A 15 3.434 1.783 -6.788 1.00 0.00 C ATOM 276 C ILE A 15 4.304 1.669 -5.532 1.00 0.00 C ATOM 277 O ILE A 15 5.511 1.780 -5.596 1.00 0.00 O ATOM 278 CB ILE A 15 2.916 3.216 -6.922 1.00 0.00 C ATOM 279 CG1 ILE A 15 2.060 3.328 -8.185 1.00 0.00 C ATOM 280 CG2 ILE A 15 4.103 4.179 -7.023 1.00 0.00 C ATOM 281 CD1 ILE A 15 1.373 4.695 -8.219 1.00 0.00 C ATOM 0 H ILE A 15 1.368 1.283 -6.583 1.00 0.00 H new ATOM 0 HA ILE A 15 4.038 1.526 -7.658 1.00 0.00 H new ATOM 0 HB ILE A 15 2.315 3.471 -6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.682 3.200 -9.071 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.314 2.534 -8.202 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.736 5.201 -7.119 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.716 4.096 -6.126 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.703 3.926 -7.897 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.763 4.774 -9.119 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.738 4.805 -7.340 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.128 5.481 -8.222 1.00 0.00 H new ATOM 293 N LEU A 16 3.711 1.461 -4.389 1.00 0.00 N ATOM 294 CA LEU A 16 4.522 1.356 -3.143 1.00 0.00 C ATOM 295 C LEU A 16 5.285 0.024 -3.141 1.00 0.00 C ATOM 296 O LEU A 16 6.455 -0.031 -2.816 1.00 0.00 O ATOM 297 CB LEU A 16 3.581 1.438 -1.924 1.00 0.00 C ATOM 298 CG LEU A 16 4.306 2.035 -0.700 1.00 0.00 C ATOM 299 CD1 LEU A 16 5.614 1.279 -0.443 1.00 0.00 C ATOM 300 CD2 LEU A 16 4.606 3.535 -0.921 1.00 0.00 C ATOM 0 H LEU A 16 2.704 1.359 -4.264 1.00 0.00 H new ATOM 0 HA LEU A 16 5.243 2.172 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.714 2.050 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.209 0.443 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 16 3.654 1.933 0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.118 1.708 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.395 0.228 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.260 1.362 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.117 3.937 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.241 3.654 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.671 4.074 -1.074 1.00 0.00 H new ATOM 312 N THR A 17 4.633 -1.048 -3.495 1.00 0.00 N ATOM 313 CA THR A 17 5.322 -2.369 -3.504 1.00 0.00 C ATOM 314 C THR A 17 6.398 -2.388 -4.595 1.00 0.00 C ATOM 315 O THR A 17 7.453 -2.967 -4.426 1.00 0.00 O ATOM 316 CB THR A 17 4.300 -3.475 -3.776 1.00 0.00 C ATOM 317 OG1 THR A 17 3.190 -3.314 -2.906 1.00 0.00 O ATOM 318 CG2 THR A 17 4.948 -4.838 -3.533 1.00 0.00 C ATOM 0 H THR A 17 3.653 -1.067 -3.778 1.00 0.00 H new ATOM 0 HA THR A 17 5.792 -2.535 -2.535 1.00 0.00 H new ATOM 0 HB THR A 17 3.962 -3.415 -4.811 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.463 -2.862 -3.383 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.221 -5.626 -3.727 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.801 -4.960 -4.201 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.285 -4.901 -2.498 1.00 0.00 H new ATOM 326 N ALA A 18 6.137 -1.770 -5.714 1.00 0.00 N ATOM 327 CA ALA A 18 7.143 -1.764 -6.817 1.00 0.00 C ATOM 328 C ALA A 18 8.439 -1.102 -6.339 1.00 0.00 C ATOM 329 O ALA A 18 9.520 -1.617 -6.546 1.00 0.00 O ATOM 330 CB ALA A 18 6.586 -0.985 -8.011 1.00 0.00 C ATOM 0 H ALA A 18 5.271 -1.269 -5.914 1.00 0.00 H new ATOM 0 HA ALA A 18 7.353 -2.791 -7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.320 -0.980 -8.817 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.668 -1.459 -8.359 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.372 0.040 -7.709 1.00 0.00 H new ATOM 336 N LEU A 19 8.343 0.034 -5.708 1.00 0.00 N ATOM 337 CA LEU A 19 9.573 0.726 -5.223 1.00 0.00 C ATOM 338 C LEU A 19 10.227 -0.104 -4.117 1.00 0.00 C ATOM 339 O LEU A 19 11.433 -0.104 -3.964 1.00 0.00 O ATOM 340 CB LEU A 19 9.204 2.111 -4.681 1.00 0.00 C ATOM 341 CG LEU A 19 8.478 2.919 -5.766 1.00 0.00 C ATOM 342 CD1 LEU A 19 7.830 4.151 -5.129 1.00 0.00 C ATOM 343 CD2 LEU A 19 9.469 3.369 -6.850 1.00 0.00 C ATOM 0 H LEU A 19 7.466 0.515 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 19 10.274 0.839 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.566 2.010 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.103 2.638 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 19 7.714 2.291 -6.225 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.313 4.728 -5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.115 3.834 -4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.600 4.769 -4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.940 3.941 -7.612 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.242 3.992 -6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.930 2.494 -7.308 1.00 0.00 H new ATOM 355 N PHE A 20 9.452 -0.815 -3.345 1.00 0.00 N ATOM 356 CA PHE A 20 10.049 -1.643 -2.259 1.00 0.00 C ATOM 357 C PHE A 20 10.881 -2.768 -2.877 1.00 0.00 C ATOM 358 O PHE A 20 12.021 -2.981 -2.514 1.00 0.00 O ATOM 359 CB PHE A 20 8.938 -2.246 -1.398 1.00 0.00 C ATOM 360 CG PHE A 20 9.548 -3.147 -0.350 1.00 0.00 C ATOM 361 CD1 PHE A 20 9.850 -4.478 -0.662 1.00 0.00 C ATOM 362 CD2 PHE A 20 9.812 -2.651 0.932 1.00 0.00 C ATOM 363 CE1 PHE A 20 10.415 -5.314 0.308 1.00 0.00 C ATOM 364 CE2 PHE A 20 10.377 -3.488 1.903 1.00 0.00 C ATOM 365 CZ PHE A 20 10.678 -4.819 1.591 1.00 0.00 C ATOM 0 H PHE A 20 8.436 -0.859 -3.418 1.00 0.00 H new ATOM 0 HA PHE A 20 10.686 -1.015 -1.636 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.362 -1.453 -0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 20 8.246 -2.812 -2.022 1.00 0.00 H new ATOM 0 HD1 PHE A 20 9.647 -4.860 -1.652 1.00 0.00 H new ATOM 0 HD2 PHE A 20 9.580 -1.624 1.172 1.00 0.00 H new ATOM 0 HE1 PHE A 20 10.648 -6.341 0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 20 10.580 -3.106 2.893 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.113 -5.464 2.340 1.00 0.00 H new ATOM 375 N LEU A 21 10.320 -3.494 -3.806 1.00 0.00 N ATOM 376 CA LEU A 21 11.081 -4.605 -4.444 1.00 0.00 C ATOM 377 C LEU A 21 12.290 -4.038 -5.189 1.00 0.00 C ATOM 378 O LEU A 21 13.365 -4.604 -5.167 1.00 0.00 O ATOM 379 CB LEU A 21 10.177 -5.345 -5.436 1.00 0.00 C ATOM 380 CG LEU A 21 8.952 -5.917 -4.709 1.00 0.00 C ATOM 381 CD1 LEU A 21 7.907 -6.340 -5.744 1.00 0.00 C ATOM 382 CD2 LEU A 21 9.353 -7.139 -3.863 1.00 0.00 C ATOM 0 H LEU A 21 9.368 -3.366 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 21 11.419 -5.297 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.856 -4.665 -6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.733 -6.150 -5.916 1.00 0.00 H new ATOM 0 HG LEU A 21 8.540 -5.152 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.034 -6.747 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.610 -5.474 -6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.331 -7.100 -6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.474 -7.533 -3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.772 -7.908 -4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.097 -6.842 -3.124 1.00 0.00 H new ATOM 394 N ARG A 22 12.128 -2.924 -5.849 1.00 0.00 N ATOM 395 CA ARG A 22 13.274 -2.329 -6.592 1.00 0.00 C ATOM 396 C ARG A 22 14.440 -2.098 -5.628 1.00 0.00 C ATOM 397 O ARG A 22 15.584 -2.343 -5.952 1.00 0.00 O ATOM 398 CB ARG A 22 12.848 -0.996 -7.212 1.00 0.00 C ATOM 399 CG ARG A 22 13.945 -0.500 -8.156 1.00 0.00 C ATOM 400 CD ARG A 22 13.555 0.865 -8.724 1.00 0.00 C ATOM 401 NE ARG A 22 14.532 1.260 -9.777 1.00 0.00 N ATOM 402 CZ ARG A 22 14.249 2.232 -10.599 1.00 0.00 C ATOM 403 NH1 ARG A 22 13.116 2.870 -10.491 1.00 0.00 N ATOM 404 NH2 ARG A 22 15.101 2.569 -11.529 1.00 0.00 N ATOM 0 H ARG A 22 11.254 -2.401 -5.906 1.00 0.00 H new ATOM 0 HA ARG A 22 13.587 -3.010 -7.384 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.912 -1.119 -7.757 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.667 -0.260 -6.429 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.892 -0.426 -7.622 1.00 0.00 H new ATOM 0 HG3 ARG A 22 14.091 -1.214 -8.966 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.549 0.823 -9.143 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.539 1.611 -7.929 1.00 0.00 H new ATOM 0 HE ARG A 22 15.423 0.770 -9.855 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.451 2.609 -9.763 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.895 3.630 -11.134 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.988 2.072 -11.613 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.880 3.329 -12.172 1.00 0.00 H new ATOM 418 N VAL A 23 14.157 -1.635 -4.441 1.00 0.00 N ATOM 419 CA VAL A 23 15.247 -1.395 -3.454 1.00 0.00 C ATOM 420 C VAL A 23 15.801 -2.740 -2.977 1.00 0.00 C ATOM 421 O VAL A 23 16.963 -2.862 -2.645 1.00 0.00 O ATOM 422 CB VAL A 23 14.693 -0.618 -2.258 1.00 0.00 C ATOM 423 CG1 VAL A 23 15.771 -0.500 -1.178 1.00 0.00 C ATOM 424 CG2 VAL A 23 14.275 0.783 -2.712 1.00 0.00 C ATOM 0 H VAL A 23 13.217 -1.413 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 23 16.043 -0.816 -3.923 1.00 0.00 H new ATOM 0 HB VAL A 23 13.829 -1.145 -1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.374 0.054 -0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 23 16.072 -1.496 -0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.635 0.027 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.880 1.338 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.140 1.307 -3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.507 0.702 -3.481 1.00 0.00 H new ATOM 434 N LYS A 24 14.978 -3.753 -2.941 1.00 0.00 N ATOM 435 CA LYS A 24 15.456 -5.088 -2.485 1.00 0.00 C ATOM 436 C LYS A 24 16.625 -5.537 -3.365 1.00 0.00 C ATOM 437 O LYS A 24 17.565 -6.151 -2.898 1.00 0.00 O ATOM 438 CB LYS A 24 14.311 -6.104 -2.597 1.00 0.00 C ATOM 439 CG LYS A 24 14.709 -7.439 -1.940 1.00 0.00 C ATOM 440 CD LYS A 24 14.505 -7.372 -0.420 1.00 0.00 C ATOM 441 CE LYS A 24 14.673 -8.773 0.173 1.00 0.00 C ATOM 442 NZ LYS A 24 13.600 -9.665 -0.346 1.00 0.00 N ATOM 0 H LYS A 24 13.994 -3.713 -3.208 1.00 0.00 H new ATOM 0 HA LYS A 24 15.785 -5.024 -1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.417 -5.708 -2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.063 -6.268 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.111 -8.249 -2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 24 15.752 -7.664 -2.163 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.226 -6.687 0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.513 -6.984 -0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.652 -9.175 -0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.627 -8.727 1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.426 -10.432 0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.727 -9.116 -0.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.896 -10.071 -1.256 1.00 0.00 H new ATOM 456 N PHE A 25 16.575 -5.237 -4.637 1.00 0.00 N ATOM 457 CA PHE A 25 17.681 -5.645 -5.553 1.00 0.00 C ATOM 458 C PHE A 25 18.655 -4.479 -5.716 1.00 0.00 C ATOM 459 O PHE A 25 18.274 -3.326 -5.644 1.00 0.00 O ATOM 460 CB PHE A 25 17.101 -6.012 -6.920 1.00 0.00 C ATOM 461 CG PHE A 25 16.203 -7.219 -6.784 1.00 0.00 C ATOM 462 CD1 PHE A 25 16.759 -8.503 -6.736 1.00 0.00 C ATOM 463 CD2 PHE A 25 14.814 -7.053 -6.706 1.00 0.00 C ATOM 464 CE1 PHE A 25 15.926 -9.621 -6.612 1.00 0.00 C ATOM 465 CE2 PHE A 25 13.983 -8.173 -6.582 1.00 0.00 C ATOM 466 CZ PHE A 25 14.538 -9.456 -6.535 1.00 0.00 C ATOM 0 H PHE A 25 15.813 -4.725 -5.082 1.00 0.00 H new ATOM 0 HA PHE A 25 18.203 -6.506 -5.135 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.538 -5.171 -7.324 1.00 0.00 H new ATOM 0 HB3 PHE A 25 17.907 -6.223 -7.623 1.00 0.00 H new ATOM 0 HD1 PHE A 25 17.830 -8.631 -6.795 1.00 0.00 H new ATOM 0 HD2 PHE A 25 14.385 -6.063 -6.741 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.354 -10.612 -6.576 1.00 0.00 H new ATOM 0 HE2 PHE A 25 12.912 -8.046 -6.523 1.00 0.00 H new ATOM 0 HZ PHE A 25 13.896 -10.319 -6.439 1.00 0.00 H new ATOM 476 N SER A 26 19.908 -4.764 -5.939 1.00 0.00 N ATOM 477 CA SER A 26 20.903 -3.667 -6.108 1.00 0.00 C ATOM 478 C SER A 26 22.100 -4.181 -6.912 1.00 0.00 C ATOM 479 O SER A 26 22.572 -3.533 -7.825 1.00 0.00 O ATOM 480 CB SER A 26 21.379 -3.192 -4.735 1.00 0.00 C ATOM 481 OG SER A 26 22.640 -2.552 -4.872 1.00 0.00 O ATOM 0 H SER A 26 20.286 -5.708 -6.012 1.00 0.00 H new ATOM 0 HA SER A 26 20.438 -2.836 -6.639 1.00 0.00 H new ATOM 0 HB2 SER A 26 20.653 -2.503 -4.304 1.00 0.00 H new ATOM 0 HB3 SER A 26 21.460 -4.038 -4.052 1.00 0.00 H new ATOM 0 HG SER A 26 22.948 -2.245 -3.994 1.00 0.00 H new ATOM 487 N ARG A 27 22.597 -5.342 -6.576 1.00 0.00 N ATOM 488 CA ARG A 27 23.764 -5.896 -7.318 1.00 0.00 C ATOM 489 C ARG A 27 23.387 -6.101 -8.788 1.00 0.00 C ATOM 490 O ARG A 27 24.177 -5.866 -9.680 1.00 0.00 O ATOM 491 CB ARG A 27 24.170 -7.236 -6.700 1.00 0.00 C ATOM 492 CG ARG A 27 24.568 -7.023 -5.238 1.00 0.00 C ATOM 493 CD ARG A 27 25.017 -8.352 -4.629 1.00 0.00 C ATOM 494 NE ARG A 27 25.082 -8.222 -3.147 1.00 0.00 N ATOM 495 CZ ARG A 27 25.159 -9.290 -2.401 1.00 0.00 C ATOM 496 NH1 ARG A 27 25.188 -10.471 -2.956 1.00 0.00 N ATOM 497 NH2 ARG A 27 25.208 -9.179 -1.102 1.00 0.00 N ATOM 0 H ARG A 27 22.245 -5.929 -5.820 1.00 0.00 H new ATOM 0 HA ARG A 27 24.600 -5.199 -7.255 1.00 0.00 H new ATOM 0 HB2 ARG A 27 23.343 -7.943 -6.764 1.00 0.00 H new ATOM 0 HB3 ARG A 27 25.002 -7.668 -7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 27 25.373 -6.291 -5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.725 -6.620 -4.676 1.00 0.00 H new ATOM 0 HD2 ARG A 27 24.321 -9.144 -4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 27 25.993 -8.634 -5.023 1.00 0.00 H new ATOM 0 HE ARG A 27 25.066 -7.298 -2.715 1.00 0.00 H new ATOM 0 HH11 ARG A 27 25.151 -10.558 -3.972 1.00 0.00 H new ATOM 0 HH12 ARG A 27 25.248 -11.307 -2.374 1.00 0.00 H new ATOM 0 HH21 ARG A 27 25.186 -8.256 -0.668 1.00 0.00 H new ATOM 0 HH22 ARG A 27 25.268 -10.015 -0.521 1.00 0.00 H new ATOM 511 N SER A 28 22.183 -6.535 -9.046 1.00 0.00 N ATOM 512 CA SER A 28 21.752 -6.751 -10.457 1.00 0.00 C ATOM 513 C SER A 28 22.826 -7.538 -11.212 1.00 0.00 C ATOM 514 O SER A 28 22.980 -7.399 -12.410 1.00 0.00 O ATOM 515 CB SER A 28 21.548 -5.397 -11.135 1.00 0.00 C ATOM 516 OG SER A 28 22.811 -4.778 -11.338 1.00 0.00 O ATOM 0 H SER A 28 21.479 -6.749 -8.340 1.00 0.00 H new ATOM 0 HA SER A 28 20.819 -7.314 -10.467 1.00 0.00 H new ATOM 0 HB2 SER A 28 21.037 -5.528 -12.089 1.00 0.00 H new ATOM 0 HB3 SER A 28 20.913 -4.761 -10.518 1.00 0.00 H new ATOM 0 HG SER A 28 23.518 -5.348 -10.970 1.00 0.00 H new ATOM 522 N ALA A 29 23.568 -8.364 -10.528 1.00 0.00 N ATOM 523 CA ALA A 29 24.626 -9.156 -11.217 1.00 0.00 C ATOM 524 C ALA A 29 23.972 -10.155 -12.174 1.00 0.00 C ATOM 525 O ALA A 29 24.497 -10.453 -13.229 1.00 0.00 O ATOM 526 CB ALA A 29 25.462 -9.907 -10.178 1.00 0.00 C ATOM 0 H ALA A 29 23.488 -8.525 -9.524 1.00 0.00 H new ATOM 0 HA ALA A 29 25.273 -8.485 -11.782 1.00 0.00 H new ATOM 0 HB1 ALA A 29 26.235 -10.486 -10.683 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.928 -9.192 -9.500 1.00 0.00 H new ATOM 0 HB3 ALA A 29 24.819 -10.579 -9.610 1.00 0.00 H new ATOM 532 N ASP A 30 22.828 -10.673 -11.817 1.00 0.00 N ATOM 533 CA ASP A 30 22.140 -11.648 -12.710 1.00 0.00 C ATOM 534 C ASP A 30 23.136 -12.716 -13.169 1.00 0.00 C ATOM 535 O ASP A 30 23.466 -12.724 -14.340 1.00 0.00 O ATOM 536 CB ASP A 30 21.578 -10.914 -13.929 1.00 0.00 C ATOM 537 CG ASP A 30 20.620 -9.815 -13.466 1.00 0.00 C ATOM 538 OD1 ASP A 30 19.938 -10.029 -12.478 1.00 0.00 O ATOM 539 OD2 ASP A 30 20.585 -8.778 -14.109 1.00 0.00 O ATOM 540 OXT ASP A 30 23.557 -13.496 -12.331 1.00 0.00 O ATOM 0 H ASP A 30 22.341 -10.463 -10.946 1.00 0.00 H new ATOM 0 HA ASP A 30 21.325 -12.125 -12.166 1.00 0.00 H new ATOM 0 HB2 ASP A 30 22.390 -10.481 -14.512 1.00 0.00 H new ATOM 0 HB3 ASP A 30 21.056 -11.615 -14.580 1.00 0.00 H new TER 545 ASP A 30 ATOM 546 N ASP B -3 -21.439 -7.952 5.637 1.00 0.00 N ATOM 547 CA ASP B -3 -21.882 -7.562 4.268 1.00 0.00 C ATOM 548 C ASP B -3 -22.231 -6.073 4.254 1.00 0.00 C ATOM 549 O ASP B -3 -21.987 -5.378 3.287 1.00 0.00 O ATOM 550 CB ASP B -3 -23.115 -8.380 3.880 1.00 0.00 C ATOM 551 CG ASP B -3 -22.750 -9.864 3.830 1.00 0.00 C ATOM 552 OD1 ASP B -3 -21.568 -10.162 3.775 1.00 0.00 O ATOM 553 OD2 ASP B -3 -23.658 -10.679 3.848 1.00 0.00 O ATOM 0 H1 ASP B -3 -21.042 -8.913 5.613 1.00 0.00 H new ATOM 0 H2 ASP B -3 -20.713 -7.286 5.970 1.00 0.00 H new ATOM 0 H3 ASP B -3 -22.252 -7.930 6.285 1.00 0.00 H new ATOM 0 HA ASP B -3 -21.080 -7.755 3.555 1.00 0.00 H new ATOM 0 HB2 ASP B -3 -23.915 -8.216 4.602 1.00 0.00 H new ATOM 0 HB3 ASP B -3 -23.490 -8.054 2.910 1.00 0.00 H new ATOM 558 N SER B -2 -22.799 -5.577 5.319 1.00 0.00 N ATOM 559 CA SER B -2 -23.163 -4.132 5.366 1.00 0.00 C ATOM 560 C SER B -2 -21.903 -3.287 5.169 1.00 0.00 C ATOM 561 O SER B -2 -20.848 -3.601 5.682 1.00 0.00 O ATOM 562 CB SER B -2 -23.786 -3.809 6.725 1.00 0.00 C ATOM 563 OG SER B -2 -24.928 -4.631 6.925 1.00 0.00 O ATOM 0 H SER B -2 -23.027 -6.110 6.159 1.00 0.00 H new ATOM 0 HA SER B -2 -23.880 -3.909 4.576 1.00 0.00 H new ATOM 0 HB2 SER B -2 -23.059 -3.976 7.520 1.00 0.00 H new ATOM 0 HB3 SER B -2 -24.069 -2.757 6.768 1.00 0.00 H new ATOM 0 HG SER B -2 -25.329 -4.428 7.796 1.00 0.00 H new ATOM 569 N LYS B -1 -22.002 -2.217 4.426 1.00 0.00 N ATOM 570 CA LYS B -1 -20.806 -1.356 4.196 1.00 0.00 C ATOM 571 C LYS B -1 -19.630 -2.236 3.766 1.00 0.00 C ATOM 572 O LYS B -1 -18.511 -2.056 4.205 1.00 0.00 O ATOM 573 CB LYS B -1 -20.451 -0.619 5.489 1.00 0.00 C ATOM 574 CG LYS B -1 -21.660 0.191 5.960 1.00 0.00 C ATOM 575 CD LYS B -1 -21.232 1.154 7.069 1.00 0.00 C ATOM 576 CE LYS B -1 -22.474 1.745 7.739 1.00 0.00 C ATOM 577 NZ LYS B -1 -22.057 2.624 8.867 1.00 0.00 N ATOM 0 H LYS B -1 -22.858 -1.902 3.969 1.00 0.00 H new ATOM 0 HA LYS B -1 -21.022 -0.627 3.415 1.00 0.00 H new ATOM 0 HB2 LYS B -1 -20.155 -1.333 6.258 1.00 0.00 H new ATOM 0 HB3 LYS B -1 -19.600 0.041 5.323 1.00 0.00 H new ATOM 0 HG2 LYS B -1 -22.085 0.748 5.125 1.00 0.00 H new ATOM 0 HG3 LYS B -1 -22.439 -0.478 6.326 1.00 0.00 H new ATOM 0 HD2 LYS B -1 -20.623 0.630 7.806 1.00 0.00 H new ATOM 0 HD3 LYS B -1 -20.615 1.951 6.655 1.00 0.00 H new ATOM 0 HE2 LYS B -1 -23.055 2.316 7.014 1.00 0.00 H new ATOM 0 HE3 LYS B -1 -23.118 0.946 8.105 1.00 0.00 H new ATOM 0 HZ1 LYS B -1 -22.900 3.027 9.324 1.00 0.00 H new ATOM 0 HZ2 LYS B -1 -21.520 2.066 9.562 1.00 0.00 H new ATOM 0 HZ3 LYS B -1 -21.459 3.394 8.505 1.00 0.00 H new ATOM 591 N LEU B 1 -19.881 -3.192 2.913 1.00 0.00 N ATOM 592 CA LEU B 1 -18.787 -4.093 2.454 1.00 0.00 C ATOM 593 C LEU B 1 -17.636 -3.259 1.888 1.00 0.00 C ATOM 594 O LEU B 1 -16.478 -3.544 2.123 1.00 0.00 O ATOM 595 CB LEU B 1 -19.331 -5.031 1.371 1.00 0.00 C ATOM 596 CG LEU B 1 -18.259 -6.051 0.957 1.00 0.00 C ATOM 597 CD1 LEU B 1 -17.919 -6.982 2.135 1.00 0.00 C ATOM 598 CD2 LEU B 1 -18.791 -6.879 -0.220 1.00 0.00 C ATOM 0 H LEU B 1 -20.799 -3.388 2.514 1.00 0.00 H new ATOM 0 HA LEU B 1 -18.418 -4.681 3.294 1.00 0.00 H new ATOM 0 HB2 LEU B 1 -20.214 -5.552 1.742 1.00 0.00 H new ATOM 0 HB3 LEU B 1 -19.645 -4.451 0.503 1.00 0.00 H new ATOM 0 HG LEU B 1 -17.353 -5.522 0.663 1.00 0.00 H new ATOM 0 HD11 LEU B 1 -17.158 -7.698 1.825 1.00 0.00 H new ATOM 0 HD12 LEU B 1 -17.542 -6.390 2.969 1.00 0.00 H new ATOM 0 HD13 LEU B 1 -18.816 -7.517 2.446 1.00 0.00 H new ATOM 0 HD21 LEU B 1 -18.038 -7.607 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU B 1 -19.699 -7.401 0.083 1.00 0.00 H new ATOM 0 HD23 LEU B 1 -19.015 -6.219 -1.058 1.00 0.00 H new ATOM 610 N CYS B 2 -17.941 -2.235 1.141 1.00 0.00 N ATOM 611 CA CYS B 2 -16.861 -1.389 0.559 1.00 0.00 C ATOM 612 C CYS B 2 -15.925 -0.913 1.672 1.00 0.00 C ATOM 613 O CYS B 2 -14.725 -0.834 1.497 1.00 0.00 O ATOM 614 CB CYS B 2 -17.483 -0.174 -0.133 1.00 0.00 C ATOM 615 SG CYS B 2 -16.170 0.962 -0.642 1.00 0.00 S ATOM 0 H CYS B 2 -18.891 -1.947 0.908 1.00 0.00 H new ATOM 0 HA CYS B 2 -16.295 -1.974 -0.166 1.00 0.00 H new ATOM 0 HB2 CYS B 2 -18.061 -0.492 -1.001 1.00 0.00 H new ATOM 0 HB3 CYS B 2 -18.174 0.330 0.543 1.00 0.00 H new ATOM 620 N TYR B 3 -16.465 -0.594 2.817 1.00 0.00 N ATOM 621 CA TYR B 3 -15.605 -0.122 3.938 1.00 0.00 C ATOM 622 C TYR B 3 -14.544 -1.182 4.244 1.00 0.00 C ATOM 623 O TYR B 3 -13.449 -0.872 4.669 1.00 0.00 O ATOM 624 CB TYR B 3 -16.471 0.111 5.179 1.00 0.00 C ATOM 625 CG TYR B 3 -15.692 0.912 6.197 1.00 0.00 C ATOM 626 CD1 TYR B 3 -15.556 2.296 6.040 1.00 0.00 C ATOM 627 CD2 TYR B 3 -15.108 0.272 7.298 1.00 0.00 C ATOM 628 CE1 TYR B 3 -14.837 3.041 6.982 1.00 0.00 C ATOM 629 CE2 TYR B 3 -14.388 1.017 8.240 1.00 0.00 C ATOM 630 CZ TYR B 3 -14.253 2.401 8.082 1.00 0.00 C ATOM 631 OH TYR B 3 -13.544 3.136 9.010 1.00 0.00 O ATOM 0 H TYR B 3 -17.463 -0.640 3.024 1.00 0.00 H new ATOM 0 HA TYR B 3 -15.116 0.811 3.657 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -17.383 0.641 4.904 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -16.775 -0.844 5.608 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -16.006 2.790 5.191 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -15.213 -0.796 7.420 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -14.733 4.109 6.860 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -13.937 0.524 9.088 1.00 0.00 H new ATOM 0 HH TYR B 3 -13.206 2.540 9.710 1.00 0.00 H new ATOM 641 N LEU B 4 -14.860 -2.430 4.029 1.00 0.00 N ATOM 642 CA LEU B 4 -13.868 -3.509 4.305 1.00 0.00 C ATOM 643 C LEU B 4 -12.792 -3.502 3.216 1.00 0.00 C ATOM 644 O LEU B 4 -11.613 -3.598 3.495 1.00 0.00 O ATOM 645 CB LEU B 4 -14.582 -4.867 4.309 1.00 0.00 C ATOM 646 CG LEU B 4 -13.628 -5.971 4.814 1.00 0.00 C ATOM 647 CD1 LEU B 4 -13.631 -6.016 6.348 1.00 0.00 C ATOM 648 CD2 LEU B 4 -14.086 -7.332 4.279 1.00 0.00 C ATOM 0 H LEU B 4 -15.761 -2.749 3.674 1.00 0.00 H new ATOM 0 HA LEU B 4 -13.403 -3.338 5.276 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -15.465 -4.820 4.947 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -14.928 -5.107 3.303 1.00 0.00 H new ATOM 0 HG LEU B 4 -12.621 -5.749 4.460 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -12.954 -6.799 6.690 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -13.302 -5.054 6.741 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -14.639 -6.227 6.704 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -13.411 -8.109 4.637 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -15.097 -7.539 4.630 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -14.076 -7.317 3.189 1.00 0.00 H new ATOM 660 N LEU B 5 -13.187 -3.390 1.975 1.00 0.00 N ATOM 661 CA LEU B 5 -12.181 -3.380 0.874 1.00 0.00 C ATOM 662 C LEU B 5 -11.161 -2.269 1.137 1.00 0.00 C ATOM 663 O LEU B 5 -9.968 -2.476 1.052 1.00 0.00 O ATOM 664 CB LEU B 5 -12.890 -3.131 -0.469 1.00 0.00 C ATOM 665 CG LEU B 5 -13.468 -4.443 -1.017 1.00 0.00 C ATOM 666 CD1 LEU B 5 -14.591 -4.937 -0.102 1.00 0.00 C ATOM 667 CD2 LEU B 5 -14.029 -4.200 -2.419 1.00 0.00 C ATOM 0 H LEU B 5 -14.159 -3.305 1.678 1.00 0.00 H new ATOM 0 HA LEU B 5 -11.669 -4.341 0.833 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -13.689 -2.401 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -12.187 -2.708 -1.186 1.00 0.00 H new ATOM 0 HG LEU B 5 -12.680 -5.195 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -14.998 -5.869 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -14.196 -5.108 0.899 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -15.380 -4.187 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -14.441 -5.129 -2.812 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -14.815 -3.447 -2.371 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -13.231 -3.850 -3.075 1.00 0.00 H new ATOM 679 N ASP B 6 -11.621 -1.091 1.456 1.00 0.00 N ATOM 680 CA ASP B 6 -10.677 0.031 1.724 1.00 0.00 C ATOM 681 C ASP B 6 -9.811 -0.314 2.937 1.00 0.00 C ATOM 682 O ASP B 6 -8.647 0.027 2.997 1.00 0.00 O ATOM 683 CB ASP B 6 -11.471 1.305 2.011 1.00 0.00 C ATOM 684 CG ASP B 6 -12.275 1.697 0.770 1.00 0.00 C ATOM 685 OD1 ASP B 6 -12.007 1.143 -0.284 1.00 0.00 O ATOM 686 OD2 ASP B 6 -13.145 2.542 0.894 1.00 0.00 O ATOM 0 H ASP B 6 -12.610 -0.856 1.543 1.00 0.00 H new ATOM 0 HA ASP B 6 -10.040 0.188 0.854 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -12.141 1.146 2.856 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -10.794 2.113 2.289 1.00 0.00 H new ATOM 691 N GLY B 7 -10.371 -0.986 3.904 1.00 0.00 N ATOM 692 CA GLY B 7 -9.582 -1.350 5.115 1.00 0.00 C ATOM 693 C GLY B 7 -8.377 -2.201 4.710 1.00 0.00 C ATOM 694 O GLY B 7 -7.251 -1.905 5.056 1.00 0.00 O ATOM 0 H GLY B 7 -11.342 -1.299 3.908 1.00 0.00 H new ATOM 0 HA2 GLY B 7 -9.247 -0.448 5.627 1.00 0.00 H new ATOM 0 HA3 GLY B 7 -10.208 -1.900 5.817 1.00 0.00 H new ATOM 698 N ILE B 8 -8.603 -3.260 3.980 1.00 0.00 N ATOM 699 CA ILE B 8 -7.467 -4.128 3.561 1.00 0.00 C ATOM 700 C ILE B 8 -6.501 -3.326 2.687 1.00 0.00 C ATOM 701 O ILE B 8 -5.315 -3.271 2.946 1.00 0.00 O ATOM 702 CB ILE B 8 -8.004 -5.323 2.771 1.00 0.00 C ATOM 703 CG1 ILE B 8 -8.951 -6.131 3.663 1.00 0.00 C ATOM 704 CG2 ILE B 8 -6.837 -6.209 2.324 1.00 0.00 C ATOM 705 CD1 ILE B 8 -9.634 -7.222 2.836 1.00 0.00 C ATOM 0 H ILE B 8 -9.523 -3.560 3.657 1.00 0.00 H new ATOM 0 HA ILE B 8 -6.939 -4.485 4.445 1.00 0.00 H new ATOM 0 HB ILE B 8 -8.543 -4.969 1.892 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -8.396 -6.580 4.487 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -9.700 -5.473 4.104 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -7.221 -7.060 1.761 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -6.162 -5.631 1.692 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -6.296 -6.567 3.200 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -10.307 -7.795 3.474 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -10.203 -6.763 2.028 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -8.879 -7.887 2.416 1.00 0.00 H new ATOM 717 N LEU B 9 -6.994 -2.706 1.651 1.00 0.00 N ATOM 718 CA LEU B 9 -6.098 -1.912 0.763 1.00 0.00 C ATOM 719 C LEU B 9 -5.396 -0.827 1.584 1.00 0.00 C ATOM 720 O LEU B 9 -4.214 -0.593 1.436 1.00 0.00 O ATOM 721 CB LEU B 9 -6.926 -1.258 -0.347 1.00 0.00 C ATOM 722 CG LEU B 9 -7.713 -2.330 -1.117 1.00 0.00 C ATOM 723 CD1 LEU B 9 -8.771 -1.655 -1.991 1.00 0.00 C ATOM 724 CD2 LEU B 9 -6.763 -3.146 -2.011 1.00 0.00 C ATOM 0 H LEU B 9 -7.977 -2.714 1.381 1.00 0.00 H new ATOM 0 HA LEU B 9 -5.352 -2.571 0.318 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -7.613 -0.529 0.082 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.271 -0.716 -1.029 1.00 0.00 H new ATOM 0 HG LEU B 9 -8.193 -2.998 -0.402 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -9.330 -2.415 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -9.454 -1.085 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -8.284 -0.983 -2.698 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -7.332 -3.902 -2.552 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.274 -2.482 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -6.009 -3.633 -1.392 1.00 0.00 H new ATOM 736 N PHE B 10 -6.114 -0.159 2.447 1.00 0.00 N ATOM 737 CA PHE B 10 -5.480 0.910 3.270 1.00 0.00 C ATOM 738 C PHE B 10 -4.424 0.291 4.189 1.00 0.00 C ATOM 739 O PHE B 10 -3.277 0.692 4.190 1.00 0.00 O ATOM 740 CB PHE B 10 -6.547 1.606 4.116 1.00 0.00 C ATOM 741 CG PHE B 10 -5.935 2.800 4.811 1.00 0.00 C ATOM 742 CD1 PHE B 10 -5.602 3.942 4.073 1.00 0.00 C ATOM 743 CD2 PHE B 10 -5.696 2.767 6.191 1.00 0.00 C ATOM 744 CE1 PHE B 10 -5.033 5.050 4.712 1.00 0.00 C ATOM 745 CE2 PHE B 10 -5.126 3.874 6.831 1.00 0.00 C ATOM 746 CZ PHE B 10 -4.795 5.016 6.091 1.00 0.00 C ATOM 0 H PHE B 10 -7.109 -0.307 2.617 1.00 0.00 H new ATOM 0 HA PHE B 10 -5.006 1.639 2.612 1.00 0.00 H new ATOM 0 HB2 PHE B 10 -7.377 1.924 3.485 1.00 0.00 H new ATOM 0 HB3 PHE B 10 -6.954 0.912 4.852 1.00 0.00 H new ATOM 0 HD1 PHE B 10 -5.784 3.968 3.009 1.00 0.00 H new ATOM 0 HD2 PHE B 10 -5.952 1.887 6.762 1.00 0.00 H new ATOM 0 HE1 PHE B 10 -4.778 5.931 4.141 1.00 0.00 H new ATOM 0 HE2 PHE B 10 -4.942 3.847 7.895 1.00 0.00 H new ATOM 0 HZ PHE B 10 -4.356 5.871 6.584 1.00 0.00 H new ATOM 756 N ILE B 11 -4.800 -0.684 4.970 1.00 0.00 N ATOM 757 CA ILE B 11 -3.811 -1.327 5.882 1.00 0.00 C ATOM 758 C ILE B 11 -2.623 -1.826 5.060 1.00 0.00 C ATOM 759 O ILE B 11 -1.484 -1.725 5.470 1.00 0.00 O ATOM 760 CB ILE B 11 -4.473 -2.504 6.603 1.00 0.00 C ATOM 761 CG1 ILE B 11 -5.542 -1.973 7.562 1.00 0.00 C ATOM 762 CG2 ILE B 11 -3.420 -3.280 7.397 1.00 0.00 C ATOM 763 CD1 ILE B 11 -6.394 -3.137 8.070 1.00 0.00 C ATOM 0 H ILE B 11 -5.746 -1.063 5.017 1.00 0.00 H new ATOM 0 HA ILE B 11 -3.464 -0.604 6.621 1.00 0.00 H new ATOM 0 HB ILE B 11 -4.933 -3.166 5.869 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -5.071 -1.460 8.400 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -6.171 -1.242 7.054 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -3.894 -4.117 7.909 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -2.656 -3.656 6.717 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -2.959 -2.620 8.131 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -7.155 -2.760 8.753 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -6.876 -3.631 7.226 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -5.759 -3.851 8.594 1.00 0.00 H new ATOM 775 N TYR B 12 -2.881 -2.360 3.901 1.00 0.00 N ATOM 776 CA TYR B 12 -1.771 -2.862 3.046 1.00 0.00 C ATOM 777 C TYR B 12 -0.809 -1.715 2.731 1.00 0.00 C ATOM 778 O TYR B 12 0.392 -1.886 2.737 1.00 0.00 O ATOM 779 CB TYR B 12 -2.346 -3.417 1.742 1.00 0.00 C ATOM 780 CG TYR B 12 -1.217 -3.850 0.837 1.00 0.00 C ATOM 781 CD1 TYR B 12 -0.632 -5.112 1.001 1.00 0.00 C ATOM 782 CD2 TYR B 12 -0.755 -2.988 -0.165 1.00 0.00 C ATOM 783 CE1 TYR B 12 0.415 -5.512 0.161 1.00 0.00 C ATOM 784 CE2 TYR B 12 0.292 -3.389 -1.005 1.00 0.00 C ATOM 785 CZ TYR B 12 0.876 -4.650 -0.842 1.00 0.00 C ATOM 786 OH TYR B 12 1.908 -5.045 -1.669 1.00 0.00 O ATOM 0 H TYR B 12 -3.815 -2.471 3.507 1.00 0.00 H new ATOM 0 HA TYR B 12 -1.234 -3.651 3.573 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -3.002 -4.262 1.952 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -2.952 -2.658 1.247 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -0.988 -5.776 1.775 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -1.206 -2.014 -0.290 1.00 0.00 H new ATOM 0 HE1 TYR B 12 0.867 -6.485 0.287 1.00 0.00 H new ATOM 0 HE2 TYR B 12 0.648 -2.725 -1.778 1.00 0.00 H new ATOM 0 HH TYR B 12 2.453 -4.266 -1.907 1.00 0.00 H new ATOM 796 N GLY B 13 -1.325 -0.549 2.455 1.00 0.00 N ATOM 797 CA GLY B 13 -0.434 0.603 2.135 1.00 0.00 C ATOM 798 C GLY B 13 0.329 1.037 3.389 1.00 0.00 C ATOM 799 O GLY B 13 1.494 1.379 3.331 1.00 0.00 O ATOM 0 H GLY B 13 -2.324 -0.344 2.437 1.00 0.00 H new ATOM 0 HA2 GLY B 13 0.269 0.323 1.350 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -1.025 1.435 1.752 1.00 0.00 H new ATOM 803 N VAL B 14 -0.316 1.033 4.522 1.00 0.00 N ATOM 804 CA VAL B 14 0.375 1.453 5.774 1.00 0.00 C ATOM 805 C VAL B 14 1.502 0.469 6.103 1.00 0.00 C ATOM 806 O VAL B 14 2.603 0.863 6.431 1.00 0.00 O ATOM 807 CB VAL B 14 -0.631 1.479 6.926 1.00 0.00 C ATOM 808 CG1 VAL B 14 0.080 1.884 8.218 1.00 0.00 C ATOM 809 CG2 VAL B 14 -1.735 2.491 6.613 1.00 0.00 C ATOM 0 H VAL B 14 -1.291 0.757 4.636 1.00 0.00 H new ATOM 0 HA VAL B 14 0.798 2.448 5.634 1.00 0.00 H new ATOM 0 HB VAL B 14 -1.068 0.488 7.049 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -0.638 1.902 9.038 1.00 0.00 H new ATOM 0 HG12 VAL B 14 0.867 1.164 8.441 1.00 0.00 H new ATOM 0 HG13 VAL B 14 0.518 2.875 8.097 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -2.453 2.511 7.433 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -1.297 3.481 6.490 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -2.243 2.202 5.693 1.00 0.00 H new ATOM 819 N ILE B 15 1.236 -0.805 6.027 1.00 0.00 N ATOM 820 CA ILE B 15 2.296 -1.804 6.345 1.00 0.00 C ATOM 821 C ILE B 15 3.433 -1.703 5.324 1.00 0.00 C ATOM 822 O ILE B 15 4.596 -1.758 5.670 1.00 0.00 O ATOM 823 CB ILE B 15 1.698 -3.212 6.311 1.00 0.00 C ATOM 824 CG1 ILE B 15 0.594 -3.318 7.370 1.00 0.00 C ATOM 825 CG2 ILE B 15 2.794 -4.238 6.609 1.00 0.00 C ATOM 826 CD1 ILE B 15 -0.137 -4.654 7.223 1.00 0.00 C ATOM 0 H ILE B 15 0.333 -1.198 5.759 1.00 0.00 H new ATOM 0 HA ILE B 15 2.692 -1.601 7.340 1.00 0.00 H new ATOM 0 HB ILE B 15 1.277 -3.408 5.325 1.00 0.00 H new ATOM 0 HG12 ILE B 15 1.025 -3.237 8.368 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -0.110 -2.493 7.259 1.00 0.00 H new ATOM 0 HG21 ILE B 15 2.369 -5.242 6.585 1.00 0.00 H new ATOM 0 HG22 ILE B 15 3.580 -4.159 5.858 1.00 0.00 H new ATOM 0 HG23 ILE B 15 3.214 -4.045 7.596 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -0.920 -4.725 7.977 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -0.582 -4.718 6.230 1.00 0.00 H new ATOM 0 HD13 ILE B 15 0.570 -5.472 7.357 1.00 0.00 H new ATOM 838 N LEU B 16 3.110 -1.559 4.067 1.00 0.00 N ATOM 839 CA LEU B 16 4.179 -1.461 3.032 1.00 0.00 C ATOM 840 C LEU B 16 4.982 -0.169 3.263 1.00 0.00 C ATOM 841 O LEU B 16 6.196 -0.163 3.215 1.00 0.00 O ATOM 842 CB LEU B 16 3.519 -1.445 1.627 1.00 0.00 C ATOM 843 CG LEU B 16 4.248 -2.377 0.629 1.00 0.00 C ATOM 844 CD1 LEU B 16 5.782 -2.228 0.737 1.00 0.00 C ATOM 845 CD2 LEU B 16 3.840 -3.837 0.891 1.00 0.00 C ATOM 0 H LEU B 16 2.155 -1.505 3.713 1.00 0.00 H new ATOM 0 HA LEU B 16 4.854 -2.314 3.098 1.00 0.00 H new ATOM 0 HB2 LEU B 16 2.477 -1.752 1.713 1.00 0.00 H new ATOM 0 HB3 LEU B 16 3.520 -0.427 1.238 1.00 0.00 H new ATOM 0 HG LEU B 16 3.955 -2.091 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU B 16 6.264 -2.896 0.023 1.00 0.00 H new ATOM 0 HD12 LEU B 16 6.064 -1.198 0.518 1.00 0.00 H new ATOM 0 HD13 LEU B 16 6.102 -2.485 1.747 1.00 0.00 H new ATOM 0 HD21 LEU B 16 4.355 -4.491 0.187 1.00 0.00 H new ATOM 0 HD22 LEU B 16 4.113 -4.114 1.909 1.00 0.00 H new ATOM 0 HD23 LEU B 16 2.763 -3.942 0.763 1.00 0.00 H new ATOM 857 N THR B 17 4.309 0.925 3.505 1.00 0.00 N ATOM 858 CA THR B 17 5.027 2.212 3.730 1.00 0.00 C ATOM 859 C THR B 17 5.932 2.101 4.961 1.00 0.00 C ATOM 860 O THR B 17 7.047 2.585 4.966 1.00 0.00 O ATOM 861 CB THR B 17 4.007 3.334 3.947 1.00 0.00 C ATOM 862 OG1 THR B 17 3.056 3.316 2.892 1.00 0.00 O ATOM 863 CG2 THR B 17 4.726 4.683 3.964 1.00 0.00 C ATOM 0 H THR B 17 3.292 0.982 3.556 1.00 0.00 H new ATOM 0 HA THR B 17 5.639 2.436 2.856 1.00 0.00 H new ATOM 0 HB THR B 17 3.498 3.184 4.899 1.00 0.00 H new ATOM 0 HG1 THR B 17 2.266 2.808 3.172 1.00 0.00 H new ATOM 0 HG21 THR B 17 3.999 5.481 4.118 1.00 0.00 H new ATOM 0 HG22 THR B 17 5.456 4.696 4.773 1.00 0.00 H new ATOM 0 HG23 THR B 17 5.236 4.836 3.013 1.00 0.00 H new ATOM 871 N ALA B 18 5.465 1.474 6.007 1.00 0.00 N ATOM 872 CA ALA B 18 6.306 1.346 7.231 1.00 0.00 C ATOM 873 C ALA B 18 7.580 0.564 6.896 1.00 0.00 C ATOM 874 O ALA B 18 8.678 0.999 7.181 1.00 0.00 O ATOM 875 CB ALA B 18 5.523 0.606 8.317 1.00 0.00 C ATOM 0 H ALA B 18 4.541 1.046 6.067 1.00 0.00 H new ATOM 0 HA ALA B 18 6.573 2.339 7.592 1.00 0.00 H new ATOM 0 HB1 ALA B 18 6.140 0.513 9.211 1.00 0.00 H new ATOM 0 HB2 ALA B 18 4.618 1.164 8.557 1.00 0.00 H new ATOM 0 HB3 ALA B 18 5.253 -0.387 7.958 1.00 0.00 H new ATOM 881 N LEU B 19 7.442 -0.583 6.292 1.00 0.00 N ATOM 882 CA LEU B 19 8.647 -1.388 5.940 1.00 0.00 C ATOM 883 C LEU B 19 9.501 -0.614 4.931 1.00 0.00 C ATOM 884 O LEU B 19 10.711 -0.722 4.920 1.00 0.00 O ATOM 885 CB LEU B 19 8.212 -2.725 5.330 1.00 0.00 C ATOM 886 CG LEU B 19 7.329 -3.494 6.326 1.00 0.00 C ATOM 887 CD1 LEU B 19 6.726 -4.717 5.626 1.00 0.00 C ATOM 888 CD2 LEU B 19 8.165 -3.957 7.533 1.00 0.00 C ATOM 0 H LEU B 19 6.549 -0.998 6.027 1.00 0.00 H new ATOM 0 HA LEU B 19 9.233 -1.577 6.840 1.00 0.00 H new ATOM 0 HB2 LEU B 19 7.664 -2.551 4.404 1.00 0.00 H new ATOM 0 HB3 LEU B 19 9.089 -3.320 5.074 1.00 0.00 H new ATOM 0 HG LEU B 19 6.534 -2.837 6.678 1.00 0.00 H new ATOM 0 HD11 LEU B 19 6.099 -5.266 6.328 1.00 0.00 H new ATOM 0 HD12 LEU B 19 6.122 -4.391 4.779 1.00 0.00 H new ATOM 0 HD13 LEU B 19 7.527 -5.365 5.272 1.00 0.00 H new ATOM 0 HD21 LEU B 19 7.527 -4.500 8.230 1.00 0.00 H new ATOM 0 HD22 LEU B 19 8.967 -4.610 7.191 1.00 0.00 H new ATOM 0 HD23 LEU B 19 8.593 -3.089 8.034 1.00 0.00 H new ATOM 900 N PHE B 20 8.888 0.171 4.087 1.00 0.00 N ATOM 901 CA PHE B 20 9.681 0.948 3.091 1.00 0.00 C ATOM 902 C PHE B 20 10.579 1.949 3.823 1.00 0.00 C ATOM 903 O PHE B 20 11.767 2.022 3.581 1.00 0.00 O ATOM 904 CB PHE B 20 8.734 1.702 2.154 1.00 0.00 C ATOM 905 CG PHE B 20 9.540 2.517 1.172 1.00 0.00 C ATOM 906 CD1 PHE B 20 10.005 1.934 -0.014 1.00 0.00 C ATOM 907 CD2 PHE B 20 9.824 3.858 1.449 1.00 0.00 C ATOM 908 CE1 PHE B 20 10.753 2.694 -0.921 1.00 0.00 C ATOM 909 CE2 PHE B 20 10.572 4.618 0.543 1.00 0.00 C ATOM 910 CZ PHE B 20 11.038 4.036 -0.641 1.00 0.00 C ATOM 0 H PHE B 20 7.878 0.308 4.044 1.00 0.00 H new ATOM 0 HA PHE B 20 10.297 0.264 2.507 1.00 0.00 H new ATOM 0 HB2 PHE B 20 8.096 0.997 1.621 1.00 0.00 H new ATOM 0 HB3 PHE B 20 8.077 2.353 2.731 1.00 0.00 H new ATOM 0 HD1 PHE B 20 9.786 0.898 -0.229 1.00 0.00 H new ATOM 0 HD2 PHE B 20 9.466 4.308 2.363 1.00 0.00 H new ATOM 0 HE1 PHE B 20 11.110 2.245 -1.836 1.00 0.00 H new ATOM 0 HE2 PHE B 20 10.790 5.654 0.758 1.00 0.00 H new ATOM 0 HZ PHE B 20 11.618 4.622 -1.339 1.00 0.00 H new ATOM 920 N LEU B 21 10.022 2.721 4.718 1.00 0.00 N ATOM 921 CA LEU B 21 10.847 3.714 5.464 1.00 0.00 C ATOM 922 C LEU B 21 11.897 2.981 6.303 1.00 0.00 C ATOM 923 O LEU B 21 13.017 3.432 6.444 1.00 0.00 O ATOM 924 CB LEU B 21 9.947 4.542 6.387 1.00 0.00 C ATOM 925 CG LEU B 21 8.885 5.284 5.564 1.00 0.00 C ATOM 926 CD1 LEU B 21 7.835 5.869 6.511 1.00 0.00 C ATOM 927 CD2 LEU B 21 9.534 6.423 4.755 1.00 0.00 C ATOM 0 H LEU B 21 9.032 2.707 4.964 1.00 0.00 H new ATOM 0 HA LEU B 21 11.344 4.374 4.754 1.00 0.00 H new ATOM 0 HB2 LEU B 21 9.464 3.891 7.116 1.00 0.00 H new ATOM 0 HB3 LEU B 21 10.549 5.257 6.948 1.00 0.00 H new ATOM 0 HG LEU B 21 8.416 4.584 4.873 1.00 0.00 H new ATOM 0 HD11 LEU B 21 7.077 6.398 5.932 1.00 0.00 H new ATOM 0 HD12 LEU B 21 7.364 5.063 7.075 1.00 0.00 H new ATOM 0 HD13 LEU B 21 8.314 6.563 7.201 1.00 0.00 H new ATOM 0 HD21 LEU B 21 8.769 6.940 4.176 1.00 0.00 H new ATOM 0 HD22 LEU B 21 10.011 7.127 5.436 1.00 0.00 H new ATOM 0 HD23 LEU B 21 10.282 6.009 4.079 1.00 0.00 H new ATOM 939 N ARG B 22 11.548 1.854 6.863 1.00 0.00 N ATOM 940 CA ARG B 22 12.532 1.099 7.692 1.00 0.00 C ATOM 941 C ARG B 22 13.790 0.828 6.862 1.00 0.00 C ATOM 942 O ARG B 22 14.898 0.894 7.358 1.00 0.00 O ATOM 943 CB ARG B 22 11.915 -0.228 8.141 1.00 0.00 C ATOM 944 CG ARG B 22 12.831 -0.896 9.169 1.00 0.00 C ATOM 945 CD ARG B 22 12.268 -2.270 9.544 1.00 0.00 C ATOM 946 NE ARG B 22 10.948 -2.100 10.215 1.00 0.00 N ATOM 947 CZ ARG B 22 10.154 -3.125 10.366 1.00 0.00 C ATOM 948 NH1 ARG B 22 10.514 -4.298 9.921 1.00 0.00 N ATOM 949 NH2 ARG B 22 9.002 -2.977 10.961 1.00 0.00 N ATOM 0 H ARG B 22 10.626 1.424 6.783 1.00 0.00 H new ATOM 0 HA ARG B 22 12.796 1.687 8.571 1.00 0.00 H new ATOM 0 HB2 ARG B 22 10.930 -0.055 8.574 1.00 0.00 H new ATOM 0 HB3 ARG B 22 11.775 -0.885 7.282 1.00 0.00 H new ATOM 0 HG2 ARG B 22 13.836 -1.003 8.760 1.00 0.00 H new ATOM 0 HG3 ARG B 22 12.913 -0.271 10.058 1.00 0.00 H new ATOM 0 HD2 ARG B 22 12.158 -2.886 8.651 1.00 0.00 H new ATOM 0 HD3 ARG B 22 12.960 -2.790 10.206 1.00 0.00 H new ATOM 0 HE ARG B 22 10.665 -1.182 10.557 1.00 0.00 H new ATOM 0 HH11 ARG B 22 11.415 -4.413 9.456 1.00 0.00 H new ATOM 0 HH12 ARG B 22 9.895 -5.100 10.038 1.00 0.00 H new ATOM 0 HH21 ARG B 22 8.722 -2.060 11.308 1.00 0.00 H new ATOM 0 HH22 ARG B 22 8.382 -3.778 11.079 1.00 0.00 H new ATOM 963 N VAL B 23 13.630 0.529 5.603 1.00 0.00 N ATOM 964 CA VAL B 23 14.815 0.261 4.742 1.00 0.00 C ATOM 965 C VAL B 23 15.532 1.580 4.440 1.00 0.00 C ATOM 966 O VAL B 23 16.739 1.623 4.298 1.00 0.00 O ATOM 967 CB VAL B 23 14.357 -0.382 3.431 1.00 0.00 C ATOM 968 CG1 VAL B 23 15.553 -0.531 2.488 1.00 0.00 C ATOM 969 CG2 VAL B 23 13.764 -1.762 3.723 1.00 0.00 C ATOM 0 H VAL B 23 12.728 0.459 5.132 1.00 0.00 H new ATOM 0 HA VAL B 23 15.497 -0.414 5.259 1.00 0.00 H new ATOM 0 HB VAL B 23 13.602 0.249 2.961 1.00 0.00 H new ATOM 0 HG11 VAL B 23 15.226 -0.989 1.555 1.00 0.00 H new ATOM 0 HG12 VAL B 23 15.978 0.451 2.281 1.00 0.00 H new ATOM 0 HG13 VAL B 23 16.309 -1.162 2.956 1.00 0.00 H new ATOM 0 HG21 VAL B 23 13.437 -2.222 2.791 1.00 0.00 H new ATOM 0 HG22 VAL B 23 14.520 -2.391 4.192 1.00 0.00 H new ATOM 0 HG23 VAL B 23 12.912 -1.657 4.394 1.00 0.00 H new ATOM 979 N LYS B 24 14.799 2.655 4.342 1.00 0.00 N ATOM 980 CA LYS B 24 15.439 3.969 4.050 1.00 0.00 C ATOM 981 C LYS B 24 16.409 4.325 5.178 1.00 0.00 C ATOM 982 O LYS B 24 17.502 4.802 4.942 1.00 0.00 O ATOM 983 CB LYS B 24 14.358 5.050 3.949 1.00 0.00 C ATOM 984 CG LYS B 24 14.981 6.346 3.428 1.00 0.00 C ATOM 985 CD LYS B 24 13.968 7.486 3.549 1.00 0.00 C ATOM 986 CE LYS B 24 14.460 8.688 2.741 1.00 0.00 C ATOM 987 NZ LYS B 24 15.733 9.193 3.328 1.00 0.00 N ATOM 0 H LYS B 24 13.785 2.680 4.451 1.00 0.00 H new ATOM 0 HA LYS B 24 15.983 3.907 3.108 1.00 0.00 H new ATOM 0 HB2 LYS B 24 13.562 4.722 3.281 1.00 0.00 H new ATOM 0 HB3 LYS B 24 13.905 5.219 4.926 1.00 0.00 H new ATOM 0 HG2 LYS B 24 15.880 6.583 3.996 1.00 0.00 H new ATOM 0 HG3 LYS B 24 15.284 6.224 2.388 1.00 0.00 H new ATOM 0 HD2 LYS B 24 12.993 7.162 3.184 1.00 0.00 H new ATOM 0 HD3 LYS B 24 13.840 7.764 4.595 1.00 0.00 H new ATOM 0 HE2 LYS B 24 14.615 8.402 1.701 1.00 0.00 H new ATOM 0 HE3 LYS B 24 13.707 9.476 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 15.962 10.120 2.916 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 15.626 9.289 4.358 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 16.501 8.523 3.120 1.00 0.00 H new ATOM 1001 N PHE B 25 16.016 4.100 6.404 1.00 0.00 N ATOM 1002 CA PHE B 25 16.909 4.425 7.557 1.00 0.00 C ATOM 1003 C PHE B 25 17.652 3.163 7.995 1.00 0.00 C ATOM 1004 O PHE B 25 17.057 2.132 8.238 1.00 0.00 O ATOM 1005 CB PHE B 25 16.059 4.947 8.718 1.00 0.00 C ATOM 1006 CG PHE B 25 15.468 6.286 8.346 1.00 0.00 C ATOM 1007 CD1 PHE B 25 16.193 7.460 8.580 1.00 0.00 C ATOM 1008 CD2 PHE B 25 14.193 6.353 7.769 1.00 0.00 C ATOM 1009 CE1 PHE B 25 15.645 8.702 8.236 1.00 0.00 C ATOM 1010 CE2 PHE B 25 13.645 7.595 7.425 1.00 0.00 C ATOM 1011 CZ PHE B 25 14.371 8.769 7.658 1.00 0.00 C ATOM 0 H PHE B 25 15.111 3.703 6.658 1.00 0.00 H new ATOM 0 HA PHE B 25 17.631 5.186 7.261 1.00 0.00 H new ATOM 0 HB2 PHE B 25 15.264 4.238 8.948 1.00 0.00 H new ATOM 0 HB3 PHE B 25 16.670 5.044 9.616 1.00 0.00 H new ATOM 0 HD1 PHE B 25 17.175 7.408 9.026 1.00 0.00 H new ATOM 0 HD2 PHE B 25 13.633 5.447 7.590 1.00 0.00 H new ATOM 0 HE1 PHE B 25 16.205 9.608 8.416 1.00 0.00 H new ATOM 0 HE2 PHE B 25 12.662 7.647 6.980 1.00 0.00 H new ATOM 0 HZ PHE B 25 13.949 9.727 7.392 1.00 0.00 H new ATOM 1021 N SER B 26 18.951 3.234 8.094 1.00 0.00 N ATOM 1022 CA SER B 26 19.734 2.037 8.512 1.00 0.00 C ATOM 1023 C SER B 26 19.238 1.556 9.877 1.00 0.00 C ATOM 1024 O SER B 26 19.208 0.374 10.155 1.00 0.00 O ATOM 1025 CB SER B 26 21.213 2.406 8.610 1.00 0.00 C ATOM 1026 OG SER B 26 21.986 1.218 8.728 1.00 0.00 O ATOM 0 H SER B 26 19.504 4.069 7.903 1.00 0.00 H new ATOM 0 HA SER B 26 19.605 1.243 7.777 1.00 0.00 H new ATOM 0 HB2 SER B 26 21.519 2.967 7.727 1.00 0.00 H new ATOM 0 HB3 SER B 26 21.383 3.051 9.472 1.00 0.00 H new ATOM 0 HG SER B 26 22.936 1.451 8.790 1.00 0.00 H new ATOM 1032 N ARG B 27 18.850 2.463 10.730 1.00 0.00 N ATOM 1033 CA ARG B 27 18.356 2.058 12.076 1.00 0.00 C ATOM 1034 C ARG B 27 17.046 1.283 11.926 1.00 0.00 C ATOM 1035 O ARG B 27 16.253 1.551 11.045 1.00 0.00 O ATOM 1036 CB ARG B 27 18.113 3.307 12.925 1.00 0.00 C ATOM 1037 CG ARG B 27 19.445 4.012 13.193 1.00 0.00 C ATOM 1038 CD ARG B 27 19.190 5.301 13.974 1.00 0.00 C ATOM 1039 NE ARG B 27 20.460 6.074 14.086 1.00 0.00 N ATOM 1040 CZ ARG B 27 20.429 7.332 14.428 1.00 0.00 C ATOM 1041 NH1 ARG B 27 19.287 7.920 14.655 1.00 0.00 N ATOM 1042 NH2 ARG B 27 21.543 8.004 14.541 1.00 0.00 N ATOM 0 H ARG B 27 18.854 3.468 10.553 1.00 0.00 H new ATOM 0 HA ARG B 27 19.099 1.426 12.561 1.00 0.00 H new ATOM 0 HB2 ARG B 27 17.430 3.982 12.410 1.00 0.00 H new ATOM 0 HB3 ARG B 27 17.639 3.032 13.867 1.00 0.00 H new ATOM 0 HG2 ARG B 27 20.108 3.357 13.758 1.00 0.00 H new ATOM 0 HG3 ARG B 27 19.946 4.237 12.251 1.00 0.00 H new ATOM 0 HD2 ARG B 27 18.431 5.900 13.471 1.00 0.00 H new ATOM 0 HD3 ARG B 27 18.805 5.067 14.967 1.00 0.00 H new ATOM 0 HE ARG B 27 21.353 5.619 13.895 1.00 0.00 H new ATOM 0 HH11 ARG B 27 18.417 7.396 14.565 1.00 0.00 H new ATOM 0 HH12 ARG B 27 19.264 8.904 14.922 1.00 0.00 H new ATOM 0 HH21 ARG B 27 22.436 7.545 14.362 1.00 0.00 H new ATOM 0 HH22 ARG B 27 21.520 8.988 14.808 1.00 0.00 H new ATOM 1056 N SER B 28 16.809 0.323 12.779 1.00 0.00 N ATOM 1057 CA SER B 28 15.548 -0.462 12.681 1.00 0.00 C ATOM 1058 C SER B 28 14.368 0.425 13.081 1.00 0.00 C ATOM 1059 O SER B 28 14.513 1.356 13.847 1.00 0.00 O ATOM 1060 CB SER B 28 15.622 -1.667 13.619 1.00 0.00 C ATOM 1061 OG SER B 28 16.584 -2.589 13.123 1.00 0.00 O ATOM 0 H SER B 28 17.434 0.050 13.538 1.00 0.00 H new ATOM 0 HA SER B 28 15.413 -0.809 11.657 1.00 0.00 H new ATOM 0 HB2 SER B 28 15.895 -1.344 14.624 1.00 0.00 H new ATOM 0 HB3 SER B 28 14.646 -2.146 13.692 1.00 0.00 H new ATOM 0 HG SER B 28 16.636 -3.362 13.723 1.00 0.00 H new ATOM 1067 N ALA B 29 13.200 0.144 12.570 1.00 0.00 N ATOM 1068 CA ALA B 29 12.019 0.977 12.928 1.00 0.00 C ATOM 1069 C ALA B 29 11.830 0.953 14.445 1.00 0.00 C ATOM 1070 O ALA B 29 11.632 -0.087 15.041 1.00 0.00 O ATOM 1071 CB ALA B 29 10.770 0.416 12.239 1.00 0.00 C ATOM 0 H ALA B 29 13.014 -0.623 11.923 1.00 0.00 H new ATOM 0 HA ALA B 29 12.177 2.004 12.598 1.00 0.00 H new ATOM 0 HB1 ALA B 29 9.905 1.026 12.501 1.00 0.00 H new ATOM 0 HB2 ALA B 29 10.912 0.433 11.158 1.00 0.00 H new ATOM 0 HB3 ALA B 29 10.603 -0.610 12.567 1.00 0.00 H new ATOM 1077 N ASP B 30 11.895 2.092 15.074 1.00 0.00 N ATOM 1078 CA ASP B 30 11.724 2.136 16.552 1.00 0.00 C ATOM 1079 C ASP B 30 10.388 1.496 16.931 1.00 0.00 C ATOM 1080 O ASP B 30 9.511 2.217 17.367 1.00 0.00 O ATOM 1081 CB ASP B 30 11.746 3.592 17.021 1.00 0.00 C ATOM 1082 CG ASP B 30 12.935 4.315 16.384 1.00 0.00 C ATOM 1083 OD1 ASP B 30 14.023 3.763 16.412 1.00 0.00 O ATOM 1084 OD2 ASP B 30 12.739 5.409 15.880 1.00 0.00 O ATOM 1085 OXT ASP B 30 10.269 0.292 16.767 1.00 0.00 O ATOM 0 H ASP B 30 12.059 2.995 14.629 1.00 0.00 H new ATOM 0 HA ASP B 30 12.535 1.587 17.030 1.00 0.00 H new ATOM 0 HB2 ASP B 30 10.815 4.088 16.746 1.00 0.00 H new ATOM 0 HB3 ASP B 30 11.821 3.634 18.108 1.00 0.00 H new TER 1090 ASP B 30