USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 267 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 11 CYS SG : rot 120:sc= 0.795 USER MOD Set 1.2: A 14 CYS SG : rot -74:sc= -0.49 USER MOD Set 1.3: A 27 HIS : no HE2:sc= -1.96! C(o=-1.3!,f=-5.4!) USER MOD Set 1.4: A 32 CYS SG : rot 150:sc= 0.36 USER MOD Single : A 2 SER OG : rot 30:sc= 0.00776 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 158:sc= -0.756 (180deg=-2.08!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 43:sc= 0.788 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -170:sc= -0.0535 USER MOD Single : A 28 GLN : amide:sc= -0.0442 K(o=-0.044,f=-0.66) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.044 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 -7.200 13.594 -0.023 1.00 1.00 N ATOM 11 CA SER A 2 -6.027 14.463 0.029 1.00 1.00 C ATOM 12 C SER A 2 -4.966 13.893 0.966 1.00 1.00 C ATOM 13 O SER A 2 -3.979 13.309 0.519 1.00 1.00 O ATOM 14 CB SER A 2 -6.425 15.872 0.478 1.00 1.00 C ATOM 15 OG SER A 2 -7.238 16.506 -0.495 1.00 1.00 O ATOM 0 HA SER A 2 -5.604 14.519 -0.974 1.00 1.00 H new ATOM 0 HB2 SER A 2 -6.961 15.817 1.425 1.00 1.00 H new ATOM 0 HB3 SER A 2 -5.529 16.468 0.653 1.00 1.00 H new ATOM 0 HG SER A 2 -7.755 15.830 -0.980 1.00 1.00 H new ATOM 21 N LEU A 3 -5.172 14.067 2.269 1.00 1.00 N ATOM 22 CA LEU A 3 -4.231 13.569 3.265 1.00 1.00 C ATOM 23 C LEU A 3 -4.966 12.874 4.408 1.00 1.00 C ATOM 24 O LEU A 3 -6.194 12.803 4.417 1.00 1.00 O ATOM 25 CB LEU A 3 -3.383 14.718 3.814 1.00 1.00 C ATOM 26 CG LEU A 3 -4.174 15.938 4.288 1.00 1.00 C ATOM 27 CD1 LEU A 3 -3.468 16.612 5.454 1.00 1.00 C ATOM 28 CD2 LEU A 3 -4.375 16.920 3.144 1.00 1.00 C ATOM 0 H LEU A 3 -5.982 14.549 2.658 1.00 1.00 H new ATOM 0 HA LEU A 3 -3.578 12.843 2.781 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -2.788 14.344 4.647 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -2.684 15.035 3.040 1.00 1.00 H new ATOM 0 HG LEU A 3 -5.154 15.602 4.629 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -4.046 17.478 5.778 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -3.377 15.907 6.281 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -2.475 16.935 5.141 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -4.940 17.782 3.499 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -3.405 17.250 2.773 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -4.925 16.433 2.339 1.00 1.00 H new ATOM 40 N LEU A 4 -4.203 12.364 5.371 1.00 1.00 N ATOM 41 CA LEU A 4 -4.779 11.673 6.520 1.00 1.00 C ATOM 42 C LEU A 4 -5.495 10.397 6.087 1.00 1.00 C ATOM 43 O LEU A 4 -4.963 9.296 6.229 1.00 1.00 O ATOM 44 CB LEU A 4 -5.749 12.596 7.266 1.00 1.00 C ATOM 45 CG LEU A 4 -5.210 13.187 8.570 1.00 1.00 C ATOM 46 CD1 LEU A 4 -5.047 12.099 9.621 1.00 1.00 C ATOM 47 CD2 LEU A 4 -3.887 13.897 8.326 1.00 1.00 C ATOM 0 H LEU A 4 -3.184 12.416 5.378 1.00 1.00 H new ATOM 0 HA LEU A 4 -3.966 11.398 7.192 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -6.030 13.414 6.603 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -6.659 12.038 7.487 1.00 1.00 H new ATOM 0 HG LEU A 4 -5.929 13.918 8.941 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -4.663 12.537 10.542 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -6.013 11.634 9.816 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -4.348 11.345 9.259 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -3.518 14.311 9.264 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -3.160 13.187 7.932 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -4.034 14.702 7.606 1.00 1.00 H new ATOM 59 N LYS A 5 -6.705 10.551 5.560 1.00 1.00 N ATOM 60 CA LYS A 5 -7.494 9.411 5.107 1.00 1.00 C ATOM 61 C LYS A 5 -7.079 8.988 3.698 1.00 1.00 C ATOM 62 O LYS A 5 -7.256 9.742 2.741 1.00 1.00 O ATOM 63 CB LYS A 5 -8.984 9.756 5.129 1.00 1.00 C ATOM 64 CG LYS A 5 -9.601 9.705 6.517 1.00 1.00 C ATOM 65 CD LYS A 5 -11.033 9.195 6.474 1.00 1.00 C ATOM 66 CE LYS A 5 -11.284 8.144 7.545 1.00 1.00 C ATOM 67 NZ LYS A 5 -12.163 7.048 7.051 1.00 1.00 N ATOM 0 H LYS A 5 -7.161 11.455 5.436 1.00 1.00 H new ATOM 0 HA LYS A 5 -7.310 8.579 5.787 1.00 1.00 H new ATOM 0 HB2 LYS A 5 -9.123 10.755 4.715 1.00 1.00 H new ATOM 0 HB3 LYS A 5 -9.518 9.064 4.478 1.00 1.00 H new ATOM 0 HG2 LYS A 5 -9.003 9.058 7.158 1.00 1.00 H new ATOM 0 HG3 LYS A 5 -9.582 10.700 6.961 1.00 1.00 H new ATOM 0 HD2 LYS A 5 -11.721 10.029 6.613 1.00 1.00 H new ATOM 0 HD3 LYS A 5 -11.240 8.771 5.491 1.00 1.00 H new ATOM 0 HE2 LYS A 5 -10.333 7.726 7.874 1.00 1.00 H new ATOM 0 HE3 LYS A 5 -11.743 8.614 8.415 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 -12.310 6.352 7.810 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 -13.080 7.443 6.761 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 -11.713 6.583 6.237 1.00 1.00 H new ATOM 81 N PRO A 6 -6.520 7.773 3.547 1.00 1.00 N ATOM 82 CA PRO A 6 -6.085 7.264 2.243 1.00 1.00 C ATOM 83 C PRO A 6 -7.261 6.921 1.335 1.00 1.00 C ATOM 84 O PRO A 6 -8.415 6.940 1.763 1.00 1.00 O ATOM 85 CB PRO A 6 -5.298 6.001 2.597 1.00 1.00 C ATOM 86 CG PRO A 6 -5.875 5.550 3.893 1.00 1.00 C ATOM 87 CD PRO A 6 -6.269 6.801 4.629 1.00 1.00 C ATOM 0 HA PRO A 6 -5.504 8.003 1.691 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -5.407 5.237 1.827 1.00 1.00 H new ATOM 0 HB3 PRO A 6 -4.232 6.211 2.689 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -6.738 4.904 3.732 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -5.147 4.974 4.465 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -7.157 6.644 5.241 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -5.477 7.140 5.297 1.00 1.00 H new ATOM 95 N ALA A 7 -6.962 6.609 0.078 1.00 1.00 N ATOM 96 CA ALA A 7 -7.997 6.263 -0.889 1.00 1.00 C ATOM 97 C ALA A 7 -7.385 5.828 -2.217 1.00 1.00 C ATOM 98 O ALA A 7 -7.889 6.173 -3.286 1.00 1.00 O ATOM 99 CB ALA A 7 -8.937 7.441 -1.099 1.00 1.00 C ATOM 0 H ALA A 7 -6.013 6.589 -0.294 1.00 1.00 H new ATOM 0 HA ALA A 7 -8.567 5.424 -0.490 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.705 7.169 -1.823 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -9.408 7.704 -0.152 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.372 8.295 -1.472 1.00 1.00 H new ATOM 105 N ARG A 8 -6.297 5.068 -2.142 1.00 1.00 N ATOM 106 CA ARG A 8 -5.618 4.587 -3.339 1.00 1.00 C ATOM 107 C ARG A 8 -5.264 3.110 -3.212 1.00 1.00 C ATOM 108 O ARG A 8 -5.174 2.575 -2.106 1.00 1.00 O ATOM 109 CB ARG A 8 -4.351 5.404 -3.597 1.00 1.00 C ATOM 110 CG ARG A 8 -3.773 5.205 -4.989 1.00 1.00 C ATOM 111 CD ARG A 8 -3.033 6.443 -5.471 1.00 1.00 C ATOM 112 NE ARG A 8 -3.694 7.064 -6.617 1.00 1.00 N ATOM 113 CZ ARG A 8 -3.771 6.501 -7.821 1.00 1.00 C ATOM 114 NH1 ARG A 8 -3.232 5.309 -8.041 1.00 1.00 N ATOM 115 NH2 ARG A 8 -4.389 7.135 -8.809 1.00 1.00 N ATOM 0 H ARG A 8 -5.867 4.772 -1.265 1.00 1.00 H new ATOM 0 HA ARG A 8 -6.299 4.707 -4.181 1.00 1.00 H new ATOM 0 HB2 ARG A 8 -4.574 6.461 -3.453 1.00 1.00 H new ATOM 0 HB3 ARG A 8 -3.597 5.134 -2.857 1.00 1.00 H new ATOM 0 HG2 ARG A 8 -3.093 4.353 -4.983 1.00 1.00 H new ATOM 0 HG3 ARG A 8 -4.576 4.966 -5.686 1.00 1.00 H new ATOM 0 HD2 ARG A 8 -2.965 7.165 -4.657 1.00 1.00 H new ATOM 0 HD3 ARG A 8 -2.013 6.173 -5.744 1.00 1.00 H new ATOM 0 HE ARG A 8 -4.121 7.981 -6.487 1.00 1.00 H new ATOM 0 HH11 ARG A 8 -2.755 4.818 -7.285 1.00 1.00 H new ATOM 0 HH12 ARG A 8 -3.295 4.884 -8.966 1.00 1.00 H new ATOM 0 HH21 ARG A 8 -4.804 8.052 -8.646 1.00 1.00 H new ATOM 0 HH22 ARG A 8 -4.449 6.705 -9.732 1.00 1.00 H new ATOM 129 N PHE A 9 -5.062 2.455 -4.350 1.00 1.00 N ATOM 130 CA PHE A 9 -4.716 1.037 -4.367 1.00 1.00 C ATOM 131 C PHE A 9 -3.747 0.731 -5.506 1.00 1.00 C ATOM 132 O PHE A 9 -4.126 0.136 -6.516 1.00 1.00 O ATOM 133 CB PHE A 9 -5.974 0.170 -4.500 1.00 1.00 C ATOM 134 CG PHE A 9 -7.138 0.873 -5.143 1.00 1.00 C ATOM 135 CD1 PHE A 9 -7.160 1.101 -6.510 1.00 1.00 C ATOM 136 CD2 PHE A 9 -8.210 1.305 -4.378 1.00 1.00 C ATOM 137 CE1 PHE A 9 -8.229 1.747 -7.102 1.00 1.00 C ATOM 138 CE2 PHE A 9 -9.281 1.952 -4.965 1.00 1.00 C ATOM 139 CZ PHE A 9 -9.290 2.173 -6.328 1.00 1.00 C ATOM 0 H PHE A 9 -5.132 2.883 -5.273 1.00 1.00 H new ATOM 0 HA PHE A 9 -4.229 0.800 -3.421 1.00 1.00 H new ATOM 0 HB2 PHE A 9 -5.731 -0.717 -5.085 1.00 1.00 H new ATOM 0 HB3 PHE A 9 -6.272 -0.173 -3.509 1.00 1.00 H new ATOM 0 HD1 PHE A 9 -6.332 0.770 -7.120 1.00 1.00 H new ATOM 0 HD2 PHE A 9 -8.208 1.134 -3.312 1.00 1.00 H new ATOM 0 HE1 PHE A 9 -8.234 1.918 -8.168 1.00 1.00 H new ATOM 0 HE2 PHE A 9 -10.110 2.284 -4.358 1.00 1.00 H new ATOM 0 HZ PHE A 9 -10.126 2.679 -6.788 1.00 1.00 H new ATOM 149 N MET A 10 -2.496 1.144 -5.335 1.00 1.00 N ATOM 150 CA MET A 10 -1.469 0.917 -6.345 1.00 1.00 C ATOM 151 C MET A 10 -0.078 1.147 -5.762 1.00 1.00 C ATOM 152 O MET A 10 0.225 2.229 -5.260 1.00 1.00 O ATOM 153 CB MET A 10 -1.694 1.839 -7.546 1.00 1.00 C ATOM 154 CG MET A 10 -2.370 1.152 -8.721 1.00 1.00 C ATOM 155 SD MET A 10 -2.266 2.116 -10.241 1.00 1.00 S ATOM 156 CE MET A 10 -2.861 0.924 -11.439 1.00 1.00 C ATOM 0 H MET A 10 -2.168 1.638 -4.505 1.00 1.00 H new ATOM 0 HA MET A 10 -1.538 -0.119 -6.676 1.00 1.00 H new ATOM 0 HB2 MET A 10 -2.302 2.688 -7.233 1.00 1.00 H new ATOM 0 HB3 MET A 10 -0.734 2.238 -7.872 1.00 1.00 H new ATOM 0 HG2 MET A 10 -1.909 0.177 -8.881 1.00 1.00 H new ATOM 0 HG3 MET A 10 -3.418 0.974 -8.479 1.00 1.00 H new ATOM 0 HE1 MET A 10 -3.225 1.447 -12.323 1.00 1.00 H new ATOM 0 HE2 MET A 10 -2.048 0.256 -11.722 1.00 1.00 H new ATOM 0 HE3 MET A 10 -3.673 0.343 -11.002 1.00 1.00 H new ATOM 166 N CYS A 11 0.765 0.121 -5.833 1.00 1.00 N ATOM 167 CA CYS A 11 2.124 0.212 -5.313 1.00 1.00 C ATOM 168 C CYS A 11 3.110 0.534 -6.429 1.00 1.00 C ATOM 169 O CYS A 11 3.619 -0.361 -7.102 1.00 1.00 O ATOM 170 CB CYS A 11 2.517 -1.095 -4.625 1.00 1.00 C ATOM 171 SG CYS A 11 3.914 -0.933 -3.464 1.00 1.00 S ATOM 0 H CYS A 11 0.531 -0.782 -6.245 1.00 1.00 H new ATOM 0 HA CYS A 11 2.156 1.020 -4.582 1.00 1.00 H new ATOM 0 HB2 CYS A 11 1.653 -1.483 -4.086 1.00 1.00 H new ATOM 0 HB3 CYS A 11 2.775 -1.831 -5.387 1.00 1.00 H new ATOM 0 HG CYS A 11 3.530 -1.281 -2.272 1.00 1.00 H new ATOM 176 N LEU A 12 3.369 1.822 -6.619 1.00 1.00 N ATOM 177 CA LEU A 12 4.290 2.283 -7.654 1.00 1.00 C ATOM 178 C LEU A 12 5.715 1.768 -7.422 1.00 1.00 C ATOM 179 O LEU A 12 6.372 1.319 -8.362 1.00 1.00 O ATOM 180 CB LEU A 12 4.297 3.814 -7.723 1.00 1.00 C ATOM 181 CG LEU A 12 2.952 4.494 -7.449 1.00 1.00 C ATOM 182 CD1 LEU A 12 3.038 5.983 -7.743 1.00 1.00 C ATOM 183 CD2 LEU A 12 1.848 3.850 -8.276 1.00 1.00 C ATOM 0 H LEU A 12 2.952 2.571 -6.067 1.00 1.00 H new ATOM 0 HA LEU A 12 3.937 1.879 -8.603 1.00 1.00 H new ATOM 0 HB2 LEU A 12 5.027 4.189 -7.005 1.00 1.00 H new ATOM 0 HB3 LEU A 12 4.641 4.114 -8.713 1.00 1.00 H new ATOM 0 HG LEU A 12 2.711 4.364 -6.394 1.00 1.00 H new ATOM 0 HD11 LEU A 12 2.074 6.450 -7.543 1.00 1.00 H new ATOM 0 HD12 LEU A 12 3.799 6.436 -7.108 1.00 1.00 H new ATOM 0 HD13 LEU A 12 3.303 6.132 -8.790 1.00 1.00 H new ATOM 0 HD21 LEU A 12 0.900 4.347 -8.068 1.00 1.00 H new ATOM 0 HD22 LEU A 12 2.083 3.947 -9.336 1.00 1.00 H new ATOM 0 HD23 LEU A 12 1.769 2.794 -8.018 1.00 1.00 H new ATOM 195 N PRO A 13 6.221 1.837 -6.174 1.00 1.00 N ATOM 196 CA PRO A 13 7.578 1.387 -5.840 1.00 1.00 C ATOM 197 C PRO A 13 7.986 0.099 -6.556 1.00 1.00 C ATOM 198 O PRO A 13 9.128 -0.036 -6.996 1.00 1.00 O ATOM 199 CB PRO A 13 7.493 1.165 -4.335 1.00 1.00 C ATOM 200 CG PRO A 13 6.524 2.197 -3.870 1.00 1.00 C ATOM 201 CD PRO A 13 5.522 2.369 -4.984 1.00 1.00 C ATOM 0 HA PRO A 13 8.334 2.109 -6.149 1.00 1.00 H new ATOM 0 HB2 PRO A 13 7.147 0.159 -4.099 1.00 1.00 H new ATOM 0 HB3 PRO A 13 8.466 1.288 -3.858 1.00 1.00 H new ATOM 0 HG2 PRO A 13 6.032 1.882 -2.950 1.00 1.00 H new ATOM 0 HG3 PRO A 13 7.031 3.137 -3.654 1.00 1.00 H new ATOM 0 HD2 PRO A 13 4.602 1.821 -4.782 1.00 1.00 H new ATOM 0 HD3 PRO A 13 5.247 3.415 -5.116 1.00 1.00 H new ATOM 209 N CYS A 14 7.055 -0.841 -6.673 1.00 1.00 N ATOM 210 CA CYS A 14 7.323 -2.101 -7.331 1.00 1.00 C ATOM 211 C CYS A 14 6.472 -2.232 -8.586 1.00 1.00 C ATOM 212 O CYS A 14 6.881 -2.849 -9.569 1.00 1.00 O ATOM 213 CB CYS A 14 7.028 -3.252 -6.377 1.00 1.00 C ATOM 214 SG CYS A 14 5.283 -3.377 -5.875 1.00 1.00 S ATOM 0 H CYS A 14 6.104 -0.747 -6.316 1.00 1.00 H new ATOM 0 HA CYS A 14 8.374 -2.134 -7.618 1.00 1.00 H new ATOM 0 HB2 CYS A 14 7.326 -4.187 -6.851 1.00 1.00 H new ATOM 0 HB3 CYS A 14 7.644 -3.137 -5.485 1.00 1.00 H new ATOM 0 HG CYS A 14 5.006 -2.431 -5.028 1.00 1.00 H new ATOM 219 N GLY A 15 5.285 -1.634 -8.545 1.00 1.00 N ATOM 220 CA GLY A 15 4.398 -1.679 -9.676 1.00 1.00 C ATOM 221 C GLY A 15 3.411 -2.829 -9.609 1.00 1.00 C ATOM 222 O GLY A 15 3.491 -3.771 -10.398 1.00 1.00 O ATOM 0 H GLY A 15 4.927 -1.119 -7.741 1.00 1.00 H new ATOM 0 HA2 GLY A 15 3.849 -0.739 -9.738 1.00 1.00 H new ATOM 0 HA3 GLY A 15 4.987 -1.765 -10.589 1.00 1.00 H new ATOM 226 N ILE A 16 2.476 -2.748 -8.667 1.00 1.00 N ATOM 227 CA ILE A 16 1.464 -3.786 -8.499 1.00 1.00 C ATOM 228 C ILE A 16 0.157 -3.196 -7.983 1.00 1.00 C ATOM 229 O ILE A 16 0.062 -2.793 -6.823 1.00 1.00 O ATOM 230 CB ILE A 16 1.937 -4.886 -7.529 1.00 1.00 C ATOM 231 CG1 ILE A 16 3.333 -5.378 -7.919 1.00 1.00 C ATOM 232 CG2 ILE A 16 0.948 -6.041 -7.514 1.00 1.00 C ATOM 233 CD1 ILE A 16 3.886 -6.431 -6.982 1.00 1.00 C ATOM 0 H ILE A 16 2.398 -1.974 -8.008 1.00 1.00 H new ATOM 0 HA ILE A 16 1.300 -4.229 -9.481 1.00 1.00 H new ATOM 0 HB ILE A 16 1.989 -4.464 -6.525 1.00 1.00 H new ATOM 0 HG12 ILE A 16 3.297 -5.785 -8.929 1.00 1.00 H new ATOM 0 HG13 ILE A 16 4.016 -4.529 -7.942 1.00 1.00 H new ATOM 0 HG21 ILE A 16 1.297 -6.810 -6.824 1.00 1.00 H new ATOM 0 HG22 ILE A 16 -0.028 -5.680 -7.191 1.00 1.00 H new ATOM 0 HG23 ILE A 16 0.866 -6.463 -8.516 1.00 1.00 H new ATOM 0 HD11 ILE A 16 4.878 -6.733 -7.319 1.00 1.00 H new ATOM 0 HD12 ILE A 16 3.954 -6.021 -5.974 1.00 1.00 H new ATOM 0 HD13 ILE A 16 3.225 -7.297 -6.977 1.00 1.00 H new ATOM 245 N ALA A 17 -0.849 -3.144 -8.851 1.00 1.00 N ATOM 246 CA ALA A 17 -2.151 -2.601 -8.482 1.00 1.00 C ATOM 247 C ALA A 17 -3.022 -3.660 -7.814 1.00 1.00 C ATOM 248 O ALA A 17 -3.481 -4.600 -8.464 1.00 1.00 O ATOM 249 CB ALA A 17 -2.850 -2.035 -9.708 1.00 1.00 C ATOM 0 H ALA A 17 -0.787 -3.472 -9.815 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.991 -1.797 -7.763 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -3.821 -1.633 -9.420 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.241 -1.240 -10.139 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.989 -2.826 -10.445 1.00 1.00 H new ATOM 255 N PHE A 18 -3.245 -3.501 -6.514 1.00 1.00 N ATOM 256 CA PHE A 18 -4.055 -4.437 -5.754 1.00 1.00 C ATOM 257 C PHE A 18 -5.526 -4.036 -5.794 1.00 1.00 C ATOM 258 O PHE A 18 -5.859 -2.851 -5.757 1.00 1.00 O ATOM 259 CB PHE A 18 -3.567 -4.476 -4.311 1.00 1.00 C ATOM 260 CG PHE A 18 -2.534 -5.535 -4.049 1.00 1.00 C ATOM 261 CD1 PHE A 18 -2.864 -6.878 -4.122 1.00 1.00 C ATOM 262 CD2 PHE A 18 -1.232 -5.184 -3.728 1.00 1.00 C ATOM 263 CE1 PHE A 18 -1.914 -7.852 -3.881 1.00 1.00 C ATOM 264 CE2 PHE A 18 -0.279 -6.154 -3.486 1.00 1.00 C ATOM 265 CZ PHE A 18 -0.620 -7.489 -3.562 1.00 1.00 C ATOM 0 H PHE A 18 -2.872 -2.727 -5.965 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.958 -5.427 -6.200 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -3.150 -3.503 -4.052 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -4.420 -4.643 -3.653 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -3.875 -7.167 -4.370 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -0.960 -4.141 -3.666 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -2.183 -8.896 -3.942 1.00 1.00 H new ATOM 0 HE2 PHE A 18 0.732 -5.868 -3.237 1.00 1.00 H new ATOM 0 HZ PHE A 18 0.124 -8.249 -3.372 1.00 1.00 H new ATOM 275 N SER A 19 -6.405 -5.030 -5.872 1.00 1.00 N ATOM 276 CA SER A 19 -7.842 -4.780 -5.920 1.00 1.00 C ATOM 277 C SER A 19 -8.445 -4.641 -4.521 1.00 1.00 C ATOM 278 O SER A 19 -9.612 -4.970 -4.312 1.00 1.00 O ATOM 279 CB SER A 19 -8.547 -5.909 -6.675 1.00 1.00 C ATOM 280 OG SER A 19 -9.687 -5.428 -7.365 1.00 1.00 O ATOM 0 H SER A 19 -6.148 -6.017 -5.903 1.00 1.00 H new ATOM 0 HA SER A 19 -7.992 -3.836 -6.444 1.00 1.00 H new ATOM 0 HB2 SER A 19 -7.855 -6.364 -7.383 1.00 1.00 H new ATOM 0 HB3 SER A 19 -8.845 -6.689 -5.974 1.00 1.00 H new ATOM 0 HG SER A 19 -10.118 -6.169 -7.840 1.00 1.00 H new ATOM 286 N SER A 20 -7.658 -4.154 -3.562 1.00 1.00 N ATOM 287 CA SER A 20 -8.147 -3.986 -2.199 1.00 1.00 C ATOM 288 C SER A 20 -7.219 -3.092 -1.377 1.00 1.00 C ATOM 289 O SER A 20 -6.005 -3.095 -1.576 1.00 1.00 O ATOM 290 CB SER A 20 -8.298 -5.348 -1.520 1.00 1.00 C ATOM 291 OG SER A 20 -9.619 -5.842 -1.656 1.00 1.00 O ATOM 0 H SER A 20 -6.688 -3.872 -3.704 1.00 1.00 H new ATOM 0 HA SER A 20 -9.121 -3.500 -2.253 1.00 1.00 H new ATOM 0 HB2 SER A 20 -7.595 -6.056 -1.958 1.00 1.00 H new ATOM 0 HB3 SER A 20 -8.046 -5.261 -0.463 1.00 1.00 H new ATOM 0 HG SER A 20 -9.934 -5.687 -2.571 1.00 1.00 H new ATOM 297 N PRO A 21 -7.785 -2.317 -0.433 1.00 1.00 N ATOM 298 CA PRO A 21 -7.007 -1.419 0.426 1.00 1.00 C ATOM 299 C PRO A 21 -6.276 -2.168 1.536 1.00 1.00 C ATOM 300 O PRO A 21 -5.096 -1.928 1.788 1.00 1.00 O ATOM 301 CB PRO A 21 -8.072 -0.494 1.015 1.00 1.00 C ATOM 302 CG PRO A 21 -9.311 -1.322 1.051 1.00 1.00 C ATOM 303 CD PRO A 21 -9.229 -2.256 -0.128 1.00 1.00 C ATOM 0 HA PRO A 21 -6.224 -0.898 -0.125 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -7.794 -0.154 2.012 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -8.208 0.396 0.401 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -9.379 -1.880 1.985 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -10.200 -0.694 0.989 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -9.628 -3.241 0.114 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -9.801 -1.880 -0.976 1.00 1.00 H new ATOM 311 N SER A 22 -6.983 -3.083 2.194 1.00 1.00 N ATOM 312 CA SER A 22 -6.392 -3.870 3.270 1.00 1.00 C ATOM 313 C SER A 22 -5.232 -4.700 2.739 1.00 1.00 C ATOM 314 O SER A 22 -4.242 -4.921 3.436 1.00 1.00 O ATOM 315 CB SER A 22 -7.443 -4.781 3.905 1.00 1.00 C ATOM 316 OG SER A 22 -6.984 -5.310 5.137 1.00 1.00 O ATOM 0 H SER A 22 -7.962 -3.296 2.001 1.00 1.00 H new ATOM 0 HA SER A 22 -6.017 -3.187 4.032 1.00 1.00 H new ATOM 0 HB2 SER A 22 -8.364 -4.221 4.067 1.00 1.00 H new ATOM 0 HB3 SER A 22 -7.682 -5.596 3.222 1.00 1.00 H new ATOM 0 HG SER A 22 -7.675 -5.888 5.523 1.00 1.00 H new ATOM 322 N THR A 23 -5.356 -5.147 1.493 1.00 1.00 N ATOM 323 CA THR A 23 -4.311 -5.941 0.865 1.00 1.00 C ATOM 324 C THR A 23 -3.035 -5.123 0.746 1.00 1.00 C ATOM 325 O THR A 23 -1.930 -5.650 0.875 1.00 1.00 O ATOM 326 CB THR A 23 -4.760 -6.428 -0.514 1.00 1.00 C ATOM 327 OG1 THR A 23 -5.970 -7.158 -0.419 1.00 1.00 O ATOM 328 CG2 THR A 23 -3.741 -7.314 -1.197 1.00 1.00 C ATOM 0 H THR A 23 -6.168 -4.972 0.901 1.00 1.00 H new ATOM 0 HA THR A 23 -4.115 -6.813 1.489 1.00 1.00 H new ATOM 0 HB THR A 23 -4.890 -5.525 -1.111 1.00 1.00 H new ATOM 0 HG1 THR A 23 -6.158 -7.593 -1.277 1.00 1.00 H new ATOM 0 HG21 THR A 23 -4.122 -7.624 -2.170 1.00 1.00 H new ATOM 0 HG22 THR A 23 -2.811 -6.762 -1.331 1.00 1.00 H new ATOM 0 HG23 THR A 23 -3.555 -8.195 -0.583 1.00 1.00 H new ATOM 336 N LEU A 24 -3.199 -3.825 0.518 1.00 1.00 N ATOM 337 CA LEU A 24 -2.067 -2.923 0.406 1.00 1.00 C ATOM 338 C LEU A 24 -1.284 -2.925 1.703 1.00 1.00 C ATOM 339 O LEU A 24 -0.057 -2.997 1.709 1.00 1.00 O ATOM 340 CB LEU A 24 -2.538 -1.503 0.090 1.00 1.00 C ATOM 341 CG LEU A 24 -3.760 -1.398 -0.822 1.00 1.00 C ATOM 342 CD1 LEU A 24 -4.111 0.059 -1.077 1.00 1.00 C ATOM 343 CD2 LEU A 24 -3.508 -2.126 -2.132 1.00 1.00 C ATOM 0 H LEU A 24 -4.108 -3.376 0.407 1.00 1.00 H new ATOM 0 HA LEU A 24 -1.428 -3.266 -0.408 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -2.764 -0.997 1.029 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -1.714 -0.961 -0.374 1.00 1.00 H new ATOM 0 HG LEU A 24 -4.606 -1.871 -0.323 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -4.983 0.115 -1.728 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -4.333 0.551 -0.130 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -3.268 0.558 -1.556 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.388 -2.042 -2.770 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -2.650 -1.681 -2.636 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.305 -3.178 -1.931 1.00 1.00 H new ATOM 355 N GLU A 25 -2.017 -2.857 2.804 1.00 1.00 N ATOM 356 CA GLU A 25 -1.410 -2.862 4.123 1.00 1.00 C ATOM 357 C GLU A 25 -0.670 -4.171 4.354 1.00 1.00 C ATOM 358 O GLU A 25 0.331 -4.216 5.068 1.00 1.00 O ATOM 359 CB GLU A 25 -2.478 -2.654 5.200 1.00 1.00 C ATOM 360 CG GLU A 25 -1.991 -1.847 6.393 1.00 1.00 C ATOM 361 CD GLU A 25 -1.834 -2.691 7.644 1.00 1.00 C ATOM 362 OE1 GLU A 25 -0.936 -3.557 7.668 1.00 1.00 O ATOM 363 OE2 GLU A 25 -2.612 -2.485 8.600 1.00 1.00 O ATOM 0 H GLU A 25 -3.035 -2.798 2.808 1.00 1.00 H new ATOM 0 HA GLU A 25 -0.694 -2.042 4.183 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -3.336 -2.149 4.756 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -2.826 -3.627 5.548 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -1.034 -1.385 6.148 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -2.694 -1.038 6.591 1.00 1.00 H new ATOM 370 N ALA A 26 -1.164 -5.230 3.728 1.00 1.00 N ATOM 371 CA ALA A 26 -0.553 -6.534 3.840 1.00 1.00 C ATOM 372 C ALA A 26 0.715 -6.591 3.006 1.00 1.00 C ATOM 373 O ALA A 26 1.698 -7.232 3.379 1.00 1.00 O ATOM 374 CB ALA A 26 -1.529 -7.621 3.415 1.00 1.00 C ATOM 0 H ALA A 26 -1.993 -5.204 3.134 1.00 1.00 H new ATOM 0 HA ALA A 26 -0.289 -6.708 4.883 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -1.050 -8.596 3.506 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -2.411 -7.588 4.055 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -1.826 -7.458 2.379 1.00 1.00 H new ATOM 380 N HIS A 27 0.680 -5.896 1.875 1.00 1.00 N ATOM 381 CA HIS A 27 1.818 -5.835 0.973 1.00 1.00 C ATOM 382 C HIS A 27 2.879 -4.917 1.553 1.00 1.00 C ATOM 383 O HIS A 27 4.054 -5.274 1.640 1.00 1.00 O ATOM 384 CB HIS A 27 1.359 -5.330 -0.396 1.00 1.00 C ATOM 385 CG HIS A 27 2.462 -5.149 -1.389 1.00 1.00 C ATOM 386 ND1 HIS A 27 3.063 -6.185 -2.070 1.00 1.00 N ATOM 387 CD2 HIS A 27 3.057 -4.015 -1.831 1.00 1.00 C ATOM 388 CE1 HIS A 27 3.986 -5.656 -2.887 1.00 1.00 C ATOM 389 NE2 HIS A 27 4.020 -4.342 -2.779 1.00 1.00 N ATOM 0 H HIS A 27 -0.132 -5.364 1.561 1.00 1.00 H new ATOM 0 HA HIS A 27 2.246 -6.830 0.853 1.00 1.00 H new ATOM 0 HB2 HIS A 27 0.631 -6.032 -0.803 1.00 1.00 H new ATOM 0 HB3 HIS A 27 0.845 -4.378 -0.265 1.00 1.00 H new ATOM 0 HD1 HIS A 27 2.845 -7.176 -1.971 1.00 1.00 H new ATOM 0 HD2 HIS A 27 2.821 -3.015 -1.499 1.00 1.00 H new ATOM 0 HE1 HIS A 27 4.619 -6.231 -3.547 1.00 1.00 H new ATOM 397 N GLN A 28 2.443 -3.741 1.975 1.00 1.00 N ATOM 398 CA GLN A 28 3.334 -2.765 2.582 1.00 1.00 C ATOM 399 C GLN A 28 3.790 -3.245 3.959 1.00 1.00 C ATOM 400 O GLN A 28 4.711 -2.682 4.549 1.00 1.00 O ATOM 401 CB GLN A 28 2.623 -1.415 2.707 1.00 1.00 C ATOM 402 CG GLN A 28 3.223 -0.328 1.833 1.00 1.00 C ATOM 403 CD GLN A 28 4.381 0.387 2.504 1.00 1.00 C ATOM 404 OE1 GLN A 28 4.321 0.713 3.689 1.00 1.00 O ATOM 405 NE2 GLN A 28 5.442 0.636 1.746 1.00 1.00 N ATOM 0 H GLN A 28 1.471 -3.438 1.908 1.00 1.00 H new ATOM 0 HA GLN A 28 4.211 -2.649 1.945 1.00 1.00 H new ATOM 0 HB2 GLN A 28 1.573 -1.542 2.445 1.00 1.00 H new ATOM 0 HB3 GLN A 28 2.655 -1.092 3.748 1.00 1.00 H new ATOM 0 HG2 GLN A 28 3.566 -0.768 0.896 1.00 1.00 H new ATOM 0 HG3 GLN A 28 2.450 0.398 1.580 1.00 1.00 H new ATOM 0 HE21 GLN A 28 5.449 0.348 0.768 1.00 1.00 H new ATOM 0 HE22 GLN A 28 6.250 1.116 2.142 1.00 1.00 H new ATOM 414 N ALA A 29 3.130 -4.286 4.471 1.00 1.00 N ATOM 415 CA ALA A 29 3.458 -4.833 5.780 1.00 1.00 C ATOM 416 C ALA A 29 4.720 -5.690 5.742 1.00 1.00 C ATOM 417 O ALA A 29 5.655 -5.456 6.508 1.00 1.00 O ATOM 418 CB ALA A 29 2.289 -5.646 6.315 1.00 1.00 C ATOM 0 H ALA A 29 2.365 -4.764 3.995 1.00 1.00 H new ATOM 0 HA ALA A 29 3.652 -3.993 6.447 1.00 1.00 H new ATOM 0 HB1 ALA A 29 2.545 -6.050 7.294 1.00 1.00 H new ATOM 0 HB2 ALA A 29 1.411 -5.006 6.405 1.00 1.00 H new ATOM 0 HB3 ALA A 29 2.072 -6.465 5.630 1.00 1.00 H new ATOM 424 N TYR A 30 4.740 -6.698 4.873 1.00 1.00 N ATOM 425 CA TYR A 30 5.893 -7.587 4.786 1.00 1.00 C ATOM 426 C TYR A 30 6.220 -7.998 3.349 1.00 1.00 C ATOM 427 O TYR A 30 7.033 -8.896 3.135 1.00 1.00 O ATOM 428 CB TYR A 30 5.643 -8.835 5.630 1.00 1.00 C ATOM 429 CG TYR A 30 6.052 -8.683 7.078 1.00 1.00 C ATOM 430 CD1 TYR A 30 7.387 -8.763 7.455 1.00 1.00 C ATOM 431 CD2 TYR A 30 5.103 -8.457 8.066 1.00 1.00 C ATOM 432 CE1 TYR A 30 7.763 -8.623 8.778 1.00 1.00 C ATOM 433 CE2 TYR A 30 5.471 -8.316 9.391 1.00 1.00 C ATOM 434 CZ TYR A 30 6.802 -8.400 9.741 1.00 1.00 C ATOM 435 OH TYR A 30 7.172 -8.259 11.059 1.00 1.00 O ATOM 0 H TYR A 30 3.981 -6.917 4.228 1.00 1.00 H new ATOM 0 HA TYR A 30 6.752 -7.034 5.165 1.00 1.00 H new ATOM 0 HB2 TYR A 30 4.583 -9.086 5.586 1.00 1.00 H new ATOM 0 HB3 TYR A 30 6.188 -9.673 5.194 1.00 1.00 H new ATOM 0 HD1 TYR A 30 8.142 -8.937 6.703 1.00 1.00 H new ATOM 0 HD2 TYR A 30 4.060 -8.390 7.795 1.00 1.00 H new ATOM 0 HE1 TYR A 30 8.805 -8.688 9.056 1.00 1.00 H new ATOM 0 HE2 TYR A 30 4.720 -8.141 10.148 1.00 1.00 H new ATOM 0 HH TYR A 30 6.375 -8.106 11.608 1.00 1.00 H new ATOM 445 N TYR A 31 5.597 -7.354 2.365 1.00 1.00 N ATOM 446 CA TYR A 31 5.861 -7.693 0.970 1.00 1.00 C ATOM 447 C TYR A 31 6.933 -6.784 0.376 1.00 1.00 C ATOM 448 O TYR A 31 8.064 -7.213 0.146 1.00 1.00 O ATOM 449 CB TYR A 31 4.578 -7.599 0.149 1.00 1.00 C ATOM 450 CG TYR A 31 4.335 -8.799 -0.738 1.00 1.00 C ATOM 451 CD1 TYR A 31 3.644 -9.908 -0.265 1.00 1.00 C ATOM 452 CD2 TYR A 31 4.797 -8.825 -2.048 1.00 1.00 C ATOM 453 CE1 TYR A 31 3.421 -11.007 -1.071 1.00 1.00 C ATOM 454 CE2 TYR A 31 4.577 -9.921 -2.861 1.00 1.00 C ATOM 455 CZ TYR A 31 3.889 -11.009 -2.368 1.00 1.00 C ATOM 456 OH TYR A 31 3.667 -12.102 -3.173 1.00 1.00 O ATOM 0 H TYR A 31 4.917 -6.607 2.504 1.00 1.00 H new ATOM 0 HA TYR A 31 6.229 -8.719 0.937 1.00 1.00 H new ATOM 0 HB2 TYR A 31 3.732 -7.481 0.826 1.00 1.00 H new ATOM 0 HB3 TYR A 31 4.618 -6.703 -0.470 1.00 1.00 H new ATOM 0 HD1 TYR A 31 3.275 -9.910 0.750 1.00 1.00 H new ATOM 0 HD2 TYR A 31 5.337 -7.975 -2.438 1.00 1.00 H new ATOM 0 HE1 TYR A 31 2.883 -11.861 -0.687 1.00 1.00 H new ATOM 0 HE2 TYR A 31 4.942 -9.925 -3.877 1.00 1.00 H new ATOM 0 HH TYR A 31 4.060 -11.943 -4.057 1.00 1.00 H new ATOM 466 N CYS A 32 6.575 -5.528 0.129 1.00 1.00 N ATOM 467 CA CYS A 32 7.515 -4.568 -0.440 1.00 1.00 C ATOM 468 C CYS A 32 8.639 -4.260 0.546 1.00 1.00 C ATOM 469 O CYS A 32 8.434 -3.560 1.537 1.00 1.00 O ATOM 470 CB CYS A 32 6.792 -3.277 -0.830 1.00 1.00 C ATOM 471 SG CYS A 32 7.102 -2.740 -2.544 1.00 1.00 S ATOM 0 H CYS A 32 5.645 -5.152 0.313 1.00 1.00 H new ATOM 0 HA CYS A 32 7.951 -5.012 -1.335 1.00 1.00 H new ATOM 0 HB2 CYS A 32 5.720 -3.418 -0.693 1.00 1.00 H new ATOM 0 HB3 CYS A 32 7.098 -2.482 -0.150 1.00 1.00 H new ATOM 0 HG CYS A 32 6.065 -2.096 -2.991 1.00 1.00 H new ATOM 476 N SER A 33 9.827 -4.789 0.265 1.00 1.00 N ATOM 477 CA SER A 33 10.989 -4.574 1.125 1.00 1.00 C ATOM 478 C SER A 33 10.884 -5.404 2.399 1.00 1.00 C ATOM 479 O SER A 33 9.834 -5.973 2.696 1.00 1.00 O ATOM 480 CB SER A 33 11.133 -3.089 1.476 1.00 1.00 C ATOM 481 OG SER A 33 10.875 -2.271 0.348 1.00 1.00 O ATOM 0 H SER A 33 10.011 -5.371 -0.553 1.00 1.00 H new ATOM 0 HA SER A 33 11.875 -4.893 0.577 1.00 1.00 H new ATOM 0 HB2 SER A 33 10.443 -2.834 2.280 1.00 1.00 H new ATOM 0 HB3 SER A 33 12.140 -2.896 1.847 1.00 1.00 H new ATOM 0 HG SER A 33 10.972 -1.328 0.598 1.00 1.00 H new ATOM 487 N HIS A 34 11.979 -5.470 3.149 1.00 1.00 N ATOM 488 CA HIS A 34 12.011 -6.232 4.393 1.00 1.00 C ATOM 489 C HIS A 34 11.911 -5.306 5.601 1.00 1.00 C ATOM 490 O HIS A 34 12.924 -4.865 6.143 1.00 1.00 O ATOM 491 CB HIS A 34 13.293 -7.061 4.476 1.00 1.00 C ATOM 492 CG HIS A 34 13.164 -8.425 3.873 1.00 1.00 C ATOM 493 ND1 HIS A 34 12.912 -8.637 2.534 1.00 1.00 N ATOM 494 CD2 HIS A 34 13.253 -9.655 4.436 1.00 1.00 C ATOM 495 CE1 HIS A 34 12.850 -9.936 2.300 1.00 1.00 C ATOM 496 NE2 HIS A 34 13.054 -10.575 3.436 1.00 1.00 N ATOM 0 H HIS A 34 12.857 -5.005 2.917 1.00 1.00 H new ATOM 0 HA HIS A 34 11.152 -6.903 4.400 1.00 1.00 H new ATOM 0 HB2 HIS A 34 14.096 -6.524 3.971 1.00 1.00 H new ATOM 0 HB3 HIS A 34 13.584 -7.161 5.522 1.00 1.00 H new ATOM 0 HD2 HIS A 34 13.445 -9.871 5.477 1.00 1.00 H new ATOM 0 HE1 HIS A 34 12.664 -10.397 1.341 1.00 1.00 H new ATOM 0 HE2 HIS A 34 13.063 -11.588 3.553 1.00 1.00 H new ATOM 505 N ARG A 35 10.683 -5.016 6.017 1.00 1.00 N ATOM 506 CA ARG A 35 10.450 -4.143 7.162 1.00 1.00 C ATOM 507 C ARG A 35 10.896 -4.814 8.457 1.00 1.00 C ATOM 508 O ARG A 35 11.144 -6.020 8.490 1.00 1.00 O ATOM 509 CB ARG A 35 8.969 -3.765 7.248 1.00 1.00 C ATOM 510 CG ARG A 35 8.674 -2.351 6.779 1.00 1.00 C ATOM 511 CD ARG A 35 8.595 -1.382 7.948 1.00 1.00 C ATOM 512 NE ARG A 35 7.821 -0.188 7.618 1.00 1.00 N ATOM 513 CZ ARG A 35 6.491 -0.151 7.587 1.00 1.00 C ATOM 514 NH1 ARG A 35 5.784 -1.240 7.863 1.00 1.00 N ATOM 515 NH2 ARG A 35 5.866 0.977 7.278 1.00 1.00 N ATOM 0 H ARG A 35 9.834 -5.372 5.579 1.00 1.00 H new ATOM 0 HA ARG A 35 11.040 -3.237 7.024 1.00 1.00 H new ATOM 0 HB2 ARG A 35 8.388 -4.466 6.649 1.00 1.00 H new ATOM 0 HB3 ARG A 35 8.634 -3.874 8.280 1.00 1.00 H new ATOM 0 HG2 ARG A 35 9.451 -2.026 6.088 1.00 1.00 H new ATOM 0 HG3 ARG A 35 7.733 -2.338 6.230 1.00 1.00 H new ATOM 0 HD2 ARG A 35 8.142 -1.883 8.804 1.00 1.00 H new ATOM 0 HD3 ARG A 35 9.602 -1.090 8.246 1.00 1.00 H new ATOM 0 HE ARG A 35 8.330 0.668 7.398 1.00 1.00 H new ATOM 0 HH11 ARG A 35 6.260 -2.110 8.100 1.00 1.00 H new ATOM 0 HH12 ARG A 35 4.765 -1.206 7.838 1.00 1.00 H new ATOM 0 HH21 ARG A 35 6.405 1.816 7.064 1.00 1.00 H new ATOM 0 HH22 ARG A 35 4.847 1.005 7.254 1.00 1.00 H new ATOM 529 N ILE A 36 10.993 -4.025 9.523 1.00 1.00 N ATOM 530 CA ILE A 36 11.407 -4.543 10.821 1.00 1.00 C ATOM 531 C ILE A 36 11.037 -3.574 11.940 1.00 1.00 C ATOM 532 O ILE A 36 10.797 -4.043 13.073 1.00 1.00 O ATOM 533 CB ILE A 36 12.926 -4.810 10.861 1.00 1.00 C ATOM 534 CG1 ILE A 36 13.326 -5.435 12.199 1.00 1.00 C ATOM 535 CG2 ILE A 36 13.701 -3.521 10.617 1.00 1.00 C ATOM 536 CD1 ILE A 36 14.399 -6.494 12.076 1.00 1.00 C ATOM 537 OXT ILE A 36 10.991 -2.354 11.675 1.00 1.00 O ATOM 0 H ILE A 36 10.790 -3.025 9.513 1.00 1.00 H new ATOM 0 HA ILE A 36 10.879 -5.485 10.972 1.00 1.00 H new ATOM 0 HB ILE A 36 13.173 -5.514 10.067 1.00 1.00 H new ATOM 0 HG12 ILE A 36 13.678 -4.649 12.867 1.00 1.00 H new ATOM 0 HG13 ILE A 36 12.444 -5.876 12.663 1.00 1.00 H new ATOM 0 HG21 ILE A 36 14.771 -3.728 10.649 1.00 1.00 H new ATOM 0 HG22 ILE A 36 13.438 -3.118 9.639 1.00 1.00 H new ATOM 0 HG23 ILE A 36 13.449 -2.793 11.389 1.00 1.00 H new ATOM 0 HD11 ILE A 36 14.632 -6.892 13.063 1.00 1.00 H new ATOM 0 HD12 ILE A 36 14.043 -7.300 11.434 1.00 1.00 H new ATOM 0 HD13 ILE A 36 15.297 -6.054 11.642 1.00 1.00 H new