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 -129:sc= 0.0201 USER MOD Set 1.2: A 14 CYS SG : rot 172:sc= 0.967 USER MOD Set 1.3: A 27 HIS : no HE2:sc= -1.53! C(o=-0.15!,f=-2.3!) USER MOD Set 1.4: A 32 CYS SG : rot 40:sc= 0.395 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -165:sc= -0.167 (180deg=-0.53) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 55:sc= -0.658 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -42:sc= -0.383 USER MOD Single : A 28 GLN : amide:sc= -0.0253 K(o=-0.025,f=-2.5!) 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 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 -7.152 13.861 -1.435 1.00 1.00 N ATOM 11 CA SER A 2 -6.247 14.941 -1.055 1.00 1.00 C ATOM 12 C SER A 2 -5.103 14.416 -0.191 1.00 1.00 C ATOM 13 O SER A 2 -3.988 14.221 -0.674 1.00 1.00 O ATOM 14 CB SER A 2 -7.008 16.039 -0.306 1.00 1.00 C ATOM 15 OG SER A 2 -7.399 17.079 -1.185 1.00 1.00 O ATOM 0 HA SER A 2 -5.825 15.362 -1.967 1.00 1.00 H new ATOM 0 HB2 SER A 2 -7.890 15.613 0.173 1.00 1.00 H new ATOM 0 HB3 SER A 2 -6.380 16.445 0.487 1.00 1.00 H new ATOM 0 HG SER A 2 -7.884 17.767 -0.683 1.00 1.00 H new ATOM 21 N LEU A 3 -5.388 14.190 1.088 1.00 1.00 N ATOM 22 CA LEU A 3 -4.381 13.688 2.016 1.00 1.00 C ATOM 23 C LEU A 3 -5.034 13.124 3.274 1.00 1.00 C ATOM 24 O LEU A 3 -6.248 13.220 3.454 1.00 1.00 O ATOM 25 CB LEU A 3 -3.402 14.802 2.391 1.00 1.00 C ATOM 26 CG LEU A 3 -4.028 16.005 3.102 1.00 1.00 C ATOM 27 CD1 LEU A 3 -3.103 16.521 4.193 1.00 1.00 C ATOM 28 CD2 LEU A 3 -4.348 17.108 2.102 1.00 1.00 C ATOM 0 H LEU A 3 -6.306 14.346 1.504 1.00 1.00 H new ATOM 0 HA LEU A 3 -3.834 12.885 1.521 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -2.627 14.383 3.033 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -2.909 15.152 1.484 1.00 1.00 H new ATOM 0 HG LEU A 3 -4.960 15.684 3.568 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -3.565 17.376 4.687 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -2.926 15.732 4.923 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -2.154 16.826 3.751 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -4.792 17.955 2.625 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -3.431 17.427 1.607 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -5.050 16.732 1.358 1.00 1.00 H new ATOM 40 N LEU A 4 -4.218 12.533 4.141 1.00 1.00 N ATOM 41 CA LEU A 4 -4.713 11.951 5.383 1.00 1.00 C ATOM 42 C LEU A 4 -5.705 10.826 5.103 1.00 1.00 C ATOM 43 O LEU A 4 -6.609 10.569 5.898 1.00 1.00 O ATOM 44 CB LEU A 4 -5.370 13.029 6.249 1.00 1.00 C ATOM 45 CG LEU A 4 -4.832 13.127 7.678 1.00 1.00 C ATOM 46 CD1 LEU A 4 -4.900 11.774 8.368 1.00 1.00 C ATOM 47 CD2 LEU A 4 -3.405 13.654 7.673 1.00 1.00 C ATOM 0 H LEU A 4 -3.211 12.445 4.006 1.00 1.00 H new ATOM 0 HA LEU A 4 -3.864 11.531 5.922 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -5.240 13.995 5.761 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -6.442 12.835 6.293 1.00 1.00 H new ATOM 0 HG LEU A 4 -5.456 13.827 8.235 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -4.513 11.863 9.383 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -5.935 11.435 8.403 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -4.300 11.052 7.813 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -3.037 13.718 8.697 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -2.770 12.978 7.101 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -3.384 14.644 7.218 1.00 1.00 H new ATOM 59 N LYS A 5 -5.529 10.157 3.966 1.00 1.00 N ATOM 60 CA LYS A 5 -6.409 9.059 3.582 1.00 1.00 C ATOM 61 C LYS A 5 -5.947 8.426 2.269 1.00 1.00 C ATOM 62 O LYS A 5 -5.548 9.130 1.342 1.00 1.00 O ATOM 63 CB LYS A 5 -7.851 9.556 3.446 1.00 1.00 C ATOM 64 CG LYS A 5 -8.784 9.021 4.520 1.00 1.00 C ATOM 65 CD LYS A 5 -10.166 8.723 3.960 1.00 1.00 C ATOM 66 CE LYS A 5 -10.751 7.455 4.560 1.00 1.00 C ATOM 67 NZ LYS A 5 -11.706 7.753 5.663 1.00 1.00 N ATOM 0 H LYS A 5 -4.786 10.356 3.296 1.00 1.00 H new ATOM 0 HA LYS A 5 -6.368 8.301 4.364 1.00 1.00 H new ATOM 0 HB2 LYS A 5 -7.856 10.645 3.482 1.00 1.00 H new ATOM 0 HB3 LYS A 5 -8.235 9.268 2.467 1.00 1.00 H new ATOM 0 HG2 LYS A 5 -8.362 8.113 4.951 1.00 1.00 H new ATOM 0 HG3 LYS A 5 -8.867 9.749 5.327 1.00 1.00 H new ATOM 0 HD2 LYS A 5 -10.831 9.563 4.163 1.00 1.00 H new ATOM 0 HD3 LYS A 5 -10.106 8.619 2.877 1.00 1.00 H new ATOM 0 HE2 LYS A 5 -11.261 6.887 3.782 1.00 1.00 H new ATOM 0 HE3 LYS A 5 -9.945 6.826 4.938 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 -12.083 6.863 6.046 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 -11.214 8.273 6.417 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 -12.489 8.332 5.297 1.00 1.00 H new ATOM 81 N PRO A 6 -5.997 7.084 2.170 1.00 1.00 N ATOM 82 CA PRO A 6 -5.581 6.369 0.958 1.00 1.00 C ATOM 83 C PRO A 6 -6.307 6.871 -0.286 1.00 1.00 C ATOM 84 O PRO A 6 -7.532 6.992 -0.297 1.00 1.00 O ATOM 85 CB PRO A 6 -5.966 4.915 1.248 1.00 1.00 C ATOM 86 CG PRO A 6 -6.003 4.819 2.734 1.00 1.00 C ATOM 87 CD PRO A 6 -6.460 6.164 3.224 1.00 1.00 C ATOM 0 HA PRO A 6 -4.520 6.508 0.748 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -6.934 4.668 0.812 1.00 1.00 H new ATOM 0 HB3 PRO A 6 -5.239 4.222 0.825 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -6.686 4.033 3.057 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -5.020 4.571 3.134 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -7.543 6.202 3.344 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -6.023 6.409 4.192 1.00 1.00 H new ATOM 95 N ALA A 7 -5.542 7.162 -1.334 1.00 1.00 N ATOM 96 CA ALA A 7 -6.112 7.650 -2.583 1.00 1.00 C ATOM 97 C ALA A 7 -6.531 6.494 -3.483 1.00 1.00 C ATOM 98 O ALA A 7 -7.708 6.344 -3.812 1.00 1.00 O ATOM 99 CB ALA A 7 -5.117 8.547 -3.303 1.00 1.00 C ATOM 0 H ALA A 7 -4.526 7.068 -1.342 1.00 1.00 H new ATOM 0 HA ALA A 7 -7.002 8.232 -2.344 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -5.557 8.904 -4.234 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -4.869 9.398 -2.669 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -4.211 7.982 -3.523 1.00 1.00 H new ATOM 105 N ARG A 8 -5.560 5.678 -3.879 1.00 1.00 N ATOM 106 CA ARG A 8 -5.824 4.532 -4.743 1.00 1.00 C ATOM 107 C ARG A 8 -5.070 3.299 -4.257 1.00 1.00 C ATOM 108 O ARG A 8 -4.188 3.395 -3.404 1.00 1.00 O ATOM 109 CB ARG A 8 -5.427 4.852 -6.186 1.00 1.00 C ATOM 110 CG ARG A 8 -5.934 6.199 -6.673 1.00 1.00 C ATOM 111 CD ARG A 8 -5.083 6.734 -7.814 1.00 1.00 C ATOM 112 NE ARG A 8 -4.069 7.675 -7.345 1.00 1.00 N ATOM 113 CZ ARG A 8 -3.155 8.235 -8.135 1.00 1.00 C ATOM 114 NH1 ARG A 8 -3.125 7.951 -9.431 1.00 1.00 N ATOM 115 NH2 ARG A 8 -2.268 9.079 -7.627 1.00 1.00 N ATOM 0 H ARG A 8 -4.581 5.789 -3.615 1.00 1.00 H new ATOM 0 HA ARG A 8 -6.892 4.320 -4.706 1.00 1.00 H new ATOM 0 HB2 ARG A 8 -4.340 4.831 -6.268 1.00 1.00 H new ATOM 0 HB3 ARG A 8 -5.811 4.070 -6.841 1.00 1.00 H new ATOM 0 HG2 ARG A 8 -6.968 6.102 -7.003 1.00 1.00 H new ATOM 0 HG3 ARG A 8 -5.928 6.911 -5.848 1.00 1.00 H new ATOM 0 HD2 ARG A 8 -4.597 5.903 -8.325 1.00 1.00 H new ATOM 0 HD3 ARG A 8 -5.724 7.226 -8.545 1.00 1.00 H new ATOM 0 HE ARG A 8 -4.061 7.917 -6.354 1.00 1.00 H new ATOM 0 HH11 ARG A 8 -3.804 7.301 -9.826 1.00 1.00 H new ATOM 0 HH12 ARG A 8 -2.423 8.383 -10.032 1.00 1.00 H new ATOM 0 HH21 ARG A 8 -2.286 9.299 -6.631 1.00 1.00 H new ATOM 0 HH22 ARG A 8 -1.568 9.508 -8.232 1.00 1.00 H new ATOM 129 N PHE A 9 -5.422 2.140 -4.807 1.00 1.00 N ATOM 130 CA PHE A 9 -4.776 0.888 -4.429 1.00 1.00 C ATOM 131 C PHE A 9 -3.772 0.452 -5.492 1.00 1.00 C ATOM 132 O PHE A 9 -4.101 -0.319 -6.393 1.00 1.00 O ATOM 133 CB PHE A 9 -5.821 -0.210 -4.217 1.00 1.00 C ATOM 134 CG PHE A 9 -6.894 -0.235 -5.268 1.00 1.00 C ATOM 135 CD1 PHE A 9 -8.028 0.550 -5.138 1.00 1.00 C ATOM 136 CD2 PHE A 9 -6.767 -1.043 -6.387 1.00 1.00 C ATOM 137 CE1 PHE A 9 -9.016 0.529 -6.104 1.00 1.00 C ATOM 138 CE2 PHE A 9 -7.752 -1.069 -7.355 1.00 1.00 C ATOM 139 CZ PHE A 9 -8.878 -0.282 -7.214 1.00 1.00 C ATOM 0 H PHE A 9 -6.150 2.042 -5.515 1.00 1.00 H new ATOM 0 HA PHE A 9 -4.241 1.054 -3.494 1.00 1.00 H new ATOM 0 HB2 PHE A 9 -5.320 -1.178 -4.200 1.00 1.00 H new ATOM 0 HB3 PHE A 9 -6.285 -0.074 -3.240 1.00 1.00 H new ATOM 0 HD1 PHE A 9 -8.141 1.185 -4.272 1.00 1.00 H new ATOM 0 HD2 PHE A 9 -5.888 -1.659 -6.503 1.00 1.00 H new ATOM 0 HE1 PHE A 9 -9.895 1.146 -5.991 1.00 1.00 H new ATOM 0 HE2 PHE A 9 -7.642 -1.704 -8.221 1.00 1.00 H new ATOM 0 HZ PHE A 9 -9.649 -0.300 -7.970 1.00 1.00 H new ATOM 149 N MET A 10 -2.547 0.955 -5.380 1.00 1.00 N ATOM 150 CA MET A 10 -1.493 0.620 -6.330 1.00 1.00 C ATOM 151 C MET A 10 -0.126 1.018 -5.784 1.00 1.00 C ATOM 152 O MET A 10 0.111 2.184 -5.470 1.00 1.00 O ATOM 153 CB MET A 10 -1.744 1.320 -7.668 1.00 1.00 C ATOM 154 CG MET A 10 -1.458 0.444 -8.878 1.00 1.00 C ATOM 155 SD MET A 10 -0.511 1.300 -10.151 1.00 1.00 S ATOM 156 CE MET A 10 -0.003 -0.076 -11.179 1.00 1.00 C ATOM 0 H MET A 10 -2.260 1.596 -4.641 1.00 1.00 H new ATOM 0 HA MET A 10 -1.504 -0.459 -6.484 1.00 1.00 H new ATOM 0 HB2 MET A 10 -2.782 1.650 -7.706 1.00 1.00 H new ATOM 0 HB3 MET A 10 -1.123 2.214 -7.723 1.00 1.00 H new ATOM 0 HG2 MET A 10 -0.910 -0.442 -8.558 1.00 1.00 H new ATOM 0 HG3 MET A 10 -2.401 0.100 -9.303 1.00 1.00 H new ATOM 0 HE1 MET A 10 0.798 0.244 -11.846 1.00 1.00 H new ATOM 0 HE2 MET A 10 0.354 -0.890 -10.548 1.00 1.00 H new ATOM 0 HE3 MET A 10 -0.851 -0.421 -11.770 1.00 1.00 H new ATOM 166 N CYS A 11 0.773 0.045 -5.676 1.00 1.00 N ATOM 167 CA CYS A 11 2.117 0.307 -5.171 1.00 1.00 C ATOM 168 C CYS A 11 3.026 0.790 -6.297 1.00 1.00 C ATOM 169 O CYS A 11 3.697 -0.003 -6.956 1.00 1.00 O ATOM 170 CB CYS A 11 2.706 -0.943 -4.513 1.00 1.00 C ATOM 171 SG CYS A 11 3.981 -0.581 -3.257 1.00 1.00 S ATOM 0 H CYS A 11 0.597 -0.927 -5.930 1.00 1.00 H new ATOM 0 HA CYS A 11 2.048 1.091 -4.417 1.00 1.00 H new ATOM 0 HB2 CYS A 11 1.901 -1.511 -4.047 1.00 1.00 H new ATOM 0 HB3 CYS A 11 3.139 -1.579 -5.285 1.00 1.00 H new ATOM 0 HG CYS A 11 5.042 -1.292 -3.499 1.00 1.00 H new ATOM 176 N LEU A 12 3.033 2.102 -6.508 1.00 1.00 N ATOM 177 CA LEU A 12 3.847 2.720 -7.554 1.00 1.00 C ATOM 178 C LEU A 12 5.303 2.252 -7.503 1.00 1.00 C ATOM 179 O LEU A 12 5.871 1.873 -8.528 1.00 1.00 O ATOM 180 CB LEU A 12 3.795 4.248 -7.445 1.00 1.00 C ATOM 181 CG LEU A 12 2.452 4.829 -6.991 1.00 1.00 C ATOM 182 CD1 LEU A 12 2.475 5.123 -5.499 1.00 1.00 C ATOM 183 CD2 LEU A 12 2.121 6.088 -7.779 1.00 1.00 C ATOM 0 H LEU A 12 2.480 2.765 -5.964 1.00 1.00 H new ATOM 0 HA LEU A 12 3.426 2.407 -8.510 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.567 4.572 -6.746 1.00 1.00 H new ATOM 0 HB3 LEU A 12 4.046 4.673 -8.417 1.00 1.00 H new ATOM 0 HG LEU A 12 1.675 4.089 -7.183 1.00 1.00 H new ATOM 0 HD11 LEU A 12 1.513 5.535 -5.194 1.00 1.00 H new ATOM 0 HD12 LEU A 12 2.665 4.201 -4.949 1.00 1.00 H new ATOM 0 HD13 LEU A 12 3.263 5.844 -5.282 1.00 1.00 H new ATOM 0 HD21 LEU A 12 1.164 6.486 -7.443 1.00 1.00 H new ATOM 0 HD22 LEU A 12 2.901 6.833 -7.619 1.00 1.00 H new ATOM 0 HD23 LEU A 12 2.061 5.848 -8.841 1.00 1.00 H new ATOM 195 N PRO A 13 5.942 2.281 -6.317 1.00 1.00 N ATOM 196 CA PRO A 13 7.342 1.865 -6.170 1.00 1.00 C ATOM 197 C PRO A 13 7.561 0.380 -6.459 1.00 1.00 C ATOM 198 O PRO A 13 8.700 -0.088 -6.499 1.00 1.00 O ATOM 199 CB PRO A 13 7.668 2.181 -4.708 1.00 1.00 C ATOM 200 CG PRO A 13 6.350 2.236 -4.017 1.00 1.00 C ATOM 201 CD PRO A 13 5.362 2.729 -5.036 1.00 1.00 C ATOM 0 HA PRO A 13 7.983 2.382 -6.884 1.00 1.00 H new ATOM 0 HB2 PRO A 13 8.309 1.414 -4.273 1.00 1.00 H new ATOM 0 HB3 PRO A 13 8.199 3.129 -4.619 1.00 1.00 H new ATOM 0 HG2 PRO A 13 6.065 1.253 -3.643 1.00 1.00 H new ATOM 0 HG3 PRO A 13 6.389 2.905 -3.157 1.00 1.00 H new ATOM 0 HD2 PRO A 13 4.371 2.305 -4.873 1.00 1.00 H new ATOM 0 HD3 PRO A 13 5.255 3.813 -5.000 1.00 1.00 H new ATOM 209 N CYS A 14 6.475 -0.361 -6.662 1.00 1.00 N ATOM 210 CA CYS A 14 6.562 -1.783 -6.947 1.00 1.00 C ATOM 211 C CYS A 14 5.988 -2.091 -8.325 1.00 1.00 C ATOM 212 O CYS A 14 6.395 -3.050 -8.979 1.00 1.00 O ATOM 213 CB CYS A 14 5.804 -2.575 -5.885 1.00 1.00 C ATOM 214 SG CYS A 14 6.758 -2.897 -4.367 1.00 1.00 S ATOM 0 H CYS A 14 5.523 0.005 -6.633 1.00 1.00 H new ATOM 0 HA CYS A 14 7.613 -2.073 -6.933 1.00 1.00 H new ATOM 0 HB2 CYS A 14 4.897 -2.031 -5.622 1.00 1.00 H new ATOM 0 HB3 CYS A 14 5.492 -3.528 -6.313 1.00 1.00 H new ATOM 0 HG CYS A 14 5.979 -3.421 -3.468 1.00 1.00 H new ATOM 219 N GLY A 15 5.040 -1.266 -8.760 1.00 1.00 N ATOM 220 CA GLY A 15 4.426 -1.462 -10.051 1.00 1.00 C ATOM 221 C GLY A 15 3.431 -2.605 -10.053 1.00 1.00 C ATOM 222 O GLY A 15 3.235 -3.268 -11.071 1.00 1.00 O ATOM 0 H GLY A 15 4.689 -0.464 -8.236 1.00 1.00 H new ATOM 0 HA2 GLY A 15 3.921 -0.544 -10.353 1.00 1.00 H new ATOM 0 HA3 GLY A 15 5.201 -1.658 -10.792 1.00 1.00 H new ATOM 226 N ILE A 16 2.800 -2.833 -8.904 1.00 1.00 N ATOM 227 CA ILE A 16 1.817 -3.902 -8.770 1.00 1.00 C ATOM 228 C ILE A 16 0.517 -3.378 -8.167 1.00 1.00 C ATOM 229 O ILE A 16 0.472 -3.008 -6.994 1.00 1.00 O ATOM 230 CB ILE A 16 2.346 -5.048 -7.886 1.00 1.00 C ATOM 231 CG1 ILE A 16 3.761 -5.444 -8.311 1.00 1.00 C ATOM 232 CG2 ILE A 16 1.412 -6.247 -7.958 1.00 1.00 C ATOM 233 CD1 ILE A 16 4.505 -6.244 -7.262 1.00 1.00 C ATOM 0 H ILE A 16 2.952 -2.291 -8.053 1.00 1.00 H new ATOM 0 HA ILE A 16 1.628 -4.283 -9.774 1.00 1.00 H new ATOM 0 HB ILE A 16 2.383 -4.700 -6.854 1.00 1.00 H new ATOM 0 HG12 ILE A 16 3.706 -6.027 -9.230 1.00 1.00 H new ATOM 0 HG13 ILE A 16 4.329 -4.542 -8.539 1.00 1.00 H new ATOM 0 HG21 ILE A 16 1.799 -7.048 -7.328 1.00 1.00 H new ATOM 0 HG22 ILE A 16 0.421 -5.958 -7.609 1.00 1.00 H new ATOM 0 HG23 ILE A 16 1.346 -6.595 -8.989 1.00 1.00 H new ATOM 0 HD11 ILE A 16 5.501 -6.490 -7.631 1.00 1.00 H new ATOM 0 HD12 ILE A 16 4.592 -5.655 -6.349 1.00 1.00 H new ATOM 0 HD13 ILE A 16 3.959 -7.163 -7.050 1.00 1.00 H new ATOM 245 N ALA A 17 -0.540 -3.356 -8.972 1.00 1.00 N ATOM 246 CA ALA A 17 -1.840 -2.883 -8.511 1.00 1.00 C ATOM 247 C ALA A 17 -2.607 -4.007 -7.824 1.00 1.00 C ATOM 248 O ALA A 17 -2.826 -5.068 -8.407 1.00 1.00 O ATOM 249 CB ALA A 17 -2.644 -2.325 -9.677 1.00 1.00 C ATOM 0 H ALA A 17 -0.522 -3.660 -9.946 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.680 -2.085 -7.786 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -3.612 -1.976 -9.317 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.102 -1.493 -10.127 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.794 -3.106 -10.422 1.00 1.00 H new ATOM 255 N PHE A 18 -2.997 -3.774 -6.576 1.00 1.00 N ATOM 256 CA PHE A 18 -3.717 -4.769 -5.804 1.00 1.00 C ATOM 257 C PHE A 18 -5.227 -4.655 -6.002 1.00 1.00 C ATOM 258 O PHE A 18 -5.700 -3.869 -6.823 1.00 1.00 O ATOM 259 CB PHE A 18 -3.364 -4.610 -4.333 1.00 1.00 C ATOM 260 CG PHE A 18 -2.175 -5.426 -3.915 1.00 1.00 C ATOM 261 CD1 PHE A 18 -0.930 -5.188 -4.475 1.00 1.00 C ATOM 262 CD2 PHE A 18 -2.300 -6.430 -2.970 1.00 1.00 C ATOM 263 CE1 PHE A 18 0.169 -5.936 -4.100 1.00 1.00 C ATOM 264 CE2 PHE A 18 -1.205 -7.182 -2.590 1.00 1.00 C ATOM 265 CZ PHE A 18 0.032 -6.934 -3.156 1.00 1.00 C ATOM 0 H PHE A 18 -2.824 -2.900 -6.079 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.419 -5.758 -6.153 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -3.165 -3.558 -4.126 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -4.224 -4.897 -3.727 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -0.818 -4.408 -5.214 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -3.264 -6.628 -2.525 1.00 1.00 H new ATOM 0 HE1 PHE A 18 1.134 -5.740 -4.544 1.00 1.00 H new ATOM 0 HE2 PHE A 18 -1.315 -7.963 -1.852 1.00 1.00 H new ATOM 0 HZ PHE A 18 0.890 -7.520 -2.860 1.00 1.00 H new ATOM 275 N SER A 19 -5.974 -5.462 -5.253 1.00 1.00 N ATOM 276 CA SER A 19 -7.430 -5.475 -5.350 1.00 1.00 C ATOM 277 C SER A 19 -8.081 -4.406 -4.473 1.00 1.00 C ATOM 278 O SER A 19 -9.189 -3.953 -4.765 1.00 1.00 O ATOM 279 CB SER A 19 -7.967 -6.855 -4.966 1.00 1.00 C ATOM 280 OG SER A 19 -9.026 -7.249 -5.823 1.00 1.00 O ATOM 0 H SER A 19 -5.593 -6.117 -4.570 1.00 1.00 H new ATOM 0 HA SER A 19 -7.686 -5.250 -6.385 1.00 1.00 H new ATOM 0 HB2 SER A 19 -7.162 -7.588 -5.017 1.00 1.00 H new ATOM 0 HB3 SER A 19 -8.318 -6.838 -3.934 1.00 1.00 H new ATOM 0 HG SER A 19 -9.350 -8.135 -5.557 1.00 1.00 H new ATOM 286 N SER A 20 -7.410 -4.012 -3.393 1.00 1.00 N ATOM 287 CA SER A 20 -7.965 -3.008 -2.491 1.00 1.00 C ATOM 288 C SER A 20 -6.901 -2.444 -1.546 1.00 1.00 C ATOM 289 O SER A 20 -5.763 -2.913 -1.529 1.00 1.00 O ATOM 290 CB SER A 20 -9.117 -3.617 -1.687 1.00 1.00 C ATOM 291 OG SER A 20 -10.353 -3.016 -2.033 1.00 1.00 O ATOM 0 H SER A 20 -6.493 -4.368 -3.124 1.00 1.00 H new ATOM 0 HA SER A 20 -8.337 -2.181 -3.096 1.00 1.00 H new ATOM 0 HB2 SER A 20 -9.166 -4.690 -1.872 1.00 1.00 H new ATOM 0 HB3 SER A 20 -8.931 -3.485 -0.621 1.00 1.00 H new ATOM 0 HG SER A 20 -10.488 -3.080 -3.002 1.00 1.00 H new ATOM 297 N PRO A 21 -7.259 -1.417 -0.745 1.00 1.00 N ATOM 298 CA PRO A 21 -6.328 -0.785 0.200 1.00 1.00 C ATOM 299 C PRO A 21 -5.863 -1.740 1.296 1.00 1.00 C ATOM 300 O PRO A 21 -4.669 -1.845 1.574 1.00 1.00 O ATOM 301 CB PRO A 21 -7.143 0.364 0.804 1.00 1.00 C ATOM 302 CG PRO A 21 -8.566 -0.013 0.583 1.00 1.00 C ATOM 303 CD PRO A 21 -8.593 -0.785 -0.705 1.00 1.00 C ATOM 0 HA PRO A 21 -5.414 -0.460 -0.298 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -6.927 0.485 1.866 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -6.907 1.312 0.321 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -8.942 -0.617 1.408 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -9.199 0.872 0.521 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -9.391 -1.527 -0.713 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -8.756 -0.132 -1.563 1.00 1.00 H new ATOM 311 N SER A 22 -6.811 -2.434 1.920 1.00 1.00 N ATOM 312 CA SER A 22 -6.490 -3.379 2.988 1.00 1.00 C ATOM 313 C SER A 22 -5.430 -4.375 2.531 1.00 1.00 C ATOM 314 O SER A 22 -4.531 -4.731 3.293 1.00 1.00 O ATOM 315 CB SER A 22 -7.748 -4.123 3.440 1.00 1.00 C ATOM 316 OG SER A 22 -8.678 -3.237 4.037 1.00 1.00 O ATOM 0 H SER A 22 -7.806 -2.361 1.706 1.00 1.00 H new ATOM 0 HA SER A 22 -6.092 -2.814 3.831 1.00 1.00 H new ATOM 0 HB2 SER A 22 -8.209 -4.617 2.585 1.00 1.00 H new ATOM 0 HB3 SER A 22 -7.477 -4.904 4.151 1.00 1.00 H new ATOM 0 HG SER A 22 -9.474 -3.737 4.316 1.00 1.00 H new ATOM 322 N THR A 23 -5.534 -4.818 1.282 1.00 1.00 N ATOM 323 CA THR A 23 -4.572 -5.765 0.737 1.00 1.00 C ATOM 324 C THR A 23 -3.180 -5.152 0.726 1.00 1.00 C ATOM 325 O THR A 23 -2.188 -5.833 0.988 1.00 1.00 O ATOM 326 CB THR A 23 -4.975 -6.194 -0.674 1.00 1.00 C ATOM 327 OG1 THR A 23 -4.700 -5.166 -1.608 1.00 1.00 O ATOM 328 CG2 THR A 23 -6.441 -6.549 -0.797 1.00 1.00 C ATOM 0 H THR A 23 -6.270 -4.538 0.633 1.00 1.00 H new ATOM 0 HA THR A 23 -4.561 -6.650 1.373 1.00 1.00 H new ATOM 0 HB THR A 23 -4.385 -7.086 -0.884 1.00 1.00 H new ATOM 0 HG1 THR A 23 -4.959 -4.301 -1.228 1.00 1.00 H new ATOM 0 HG21 THR A 23 -6.659 -6.844 -1.823 1.00 1.00 H new ATOM 0 HG22 THR A 23 -6.673 -7.375 -0.125 1.00 1.00 H new ATOM 0 HG23 THR A 23 -7.048 -5.684 -0.532 1.00 1.00 H new ATOM 336 N LEU A 24 -3.114 -3.855 0.446 1.00 1.00 N ATOM 337 CA LEU A 24 -1.848 -3.145 0.430 1.00 1.00 C ATOM 338 C LEU A 24 -1.197 -3.241 1.795 1.00 1.00 C ATOM 339 O LEU A 24 -0.002 -3.501 1.915 1.00 1.00 O ATOM 340 CB LEU A 24 -2.054 -1.673 0.066 1.00 1.00 C ATOM 341 CG LEU A 24 -3.151 -1.397 -0.959 1.00 1.00 C ATOM 342 CD1 LEU A 24 -3.217 0.088 -1.283 1.00 1.00 C ATOM 343 CD2 LEU A 24 -2.913 -2.208 -2.221 1.00 1.00 C ATOM 0 H LEU A 24 -3.925 -3.277 0.227 1.00 1.00 H new ATOM 0 HA LEU A 24 -1.204 -3.602 -0.322 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -2.285 -1.120 0.977 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -1.114 -1.277 -0.318 1.00 1.00 H new ATOM 0 HG LEU A 24 -4.107 -1.697 -0.531 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -4.005 0.266 -2.015 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -3.433 0.649 -0.374 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -2.261 0.414 -1.692 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -3.704 -2.000 -2.942 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -1.949 -1.937 -2.651 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -2.915 -3.270 -1.977 1.00 1.00 H new ATOM 355 N GLU A 25 -2.007 -3.036 2.824 1.00 1.00 N ATOM 356 CA GLU A 25 -1.533 -3.104 4.199 1.00 1.00 C ATOM 357 C GLU A 25 -0.803 -4.416 4.448 1.00 1.00 C ATOM 358 O GLU A 25 0.171 -4.468 5.200 1.00 1.00 O ATOM 359 CB GLU A 25 -2.707 -2.946 5.170 1.00 1.00 C ATOM 360 CG GLU A 25 -2.349 -2.202 6.446 1.00 1.00 C ATOM 361 CD GLU A 25 -3.167 -2.660 7.636 1.00 1.00 C ATOM 362 OE1 GLU A 25 -4.308 -2.176 7.796 1.00 1.00 O ATOM 363 OE2 GLU A 25 -2.667 -3.504 8.411 1.00 1.00 O ATOM 0 H GLU A 25 -3.000 -2.820 2.732 1.00 1.00 H new ATOM 0 HA GLU A 25 -0.831 -2.287 4.367 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -3.515 -2.416 4.666 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -3.087 -3.934 5.430 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -1.290 -2.345 6.661 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -2.502 -1.133 6.294 1.00 1.00 H new ATOM 370 N ALA A 26 -1.270 -5.470 3.795 1.00 1.00 N ATOM 371 CA ALA A 26 -0.661 -6.774 3.918 1.00 1.00 C ATOM 372 C ALA A 26 0.641 -6.819 3.133 1.00 1.00 C ATOM 373 O ALA A 26 1.601 -7.481 3.526 1.00 1.00 O ATOM 374 CB ALA A 26 -1.613 -7.861 3.443 1.00 1.00 C ATOM 0 H ALA A 26 -2.076 -5.440 3.171 1.00 1.00 H new ATOM 0 HA ALA A 26 -0.441 -6.957 4.970 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -1.133 -8.835 3.545 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -2.521 -7.839 4.046 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -1.868 -7.690 2.397 1.00 1.00 H new ATOM 380 N HIS A 27 0.664 -6.085 2.026 1.00 1.00 N ATOM 381 CA HIS A 27 1.843 -6.006 1.177 1.00 1.00 C ATOM 382 C HIS A 27 2.894 -5.144 1.856 1.00 1.00 C ATOM 383 O HIS A 27 4.033 -5.565 2.057 1.00 1.00 O ATOM 384 CB HIS A 27 1.455 -5.419 -0.184 1.00 1.00 C ATOM 385 CG HIS A 27 2.616 -5.034 -1.049 1.00 1.00 C ATOM 386 ND1 HIS A 27 3.295 -5.911 -1.865 1.00 1.00 N ATOM 387 CD2 HIS A 27 3.204 -3.825 -1.229 1.00 1.00 C ATOM 388 CE1 HIS A 27 4.253 -5.223 -2.501 1.00 1.00 C ATOM 389 NE2 HIS A 27 4.238 -3.951 -2.150 1.00 1.00 N ATOM 0 H HIS A 27 -0.128 -5.533 1.695 1.00 1.00 H new ATOM 0 HA HIS A 27 2.256 -7.002 1.019 1.00 1.00 H new ATOM 0 HB2 HIS A 27 0.845 -6.147 -0.719 1.00 1.00 H new ATOM 0 HB3 HIS A 27 0.832 -4.540 -0.022 1.00 1.00 H new ATOM 0 HD1 HIS A 27 3.103 -6.908 -1.967 1.00 1.00 H new ATOM 0 HD2 HIS A 27 2.915 -2.909 -0.735 1.00 1.00 H new ATOM 0 HE1 HIS A 27 4.947 -5.653 -3.208 1.00 1.00 H new ATOM 397 N GLN A 28 2.485 -3.942 2.233 1.00 1.00 N ATOM 398 CA GLN A 28 3.362 -3.012 2.923 1.00 1.00 C ATOM 399 C GLN A 28 3.825 -3.611 4.250 1.00 1.00 C ATOM 400 O GLN A 28 4.828 -3.181 4.820 1.00 1.00 O ATOM 401 CB GLN A 28 2.630 -1.691 3.169 1.00 1.00 C ATOM 402 CG GLN A 28 3.270 -0.500 2.479 1.00 1.00 C ATOM 403 CD GLN A 28 4.393 0.114 3.293 1.00 1.00 C ATOM 404 OE1 GLN A 28 4.270 0.296 4.504 1.00 1.00 O ATOM 405 NE2 GLN A 28 5.497 0.437 2.629 1.00 1.00 N ATOM 0 H GLN A 28 1.543 -3.587 2.070 1.00 1.00 H new ATOM 0 HA GLN A 28 4.237 -2.822 2.301 1.00 1.00 H new ATOM 0 HB2 GLN A 28 1.600 -1.788 2.826 1.00 1.00 H new ATOM 0 HB3 GLN A 28 2.593 -1.501 4.242 1.00 1.00 H new ATOM 0 HG2 GLN A 28 3.658 -0.812 1.510 1.00 1.00 H new ATOM 0 HG3 GLN A 28 2.509 0.257 2.289 1.00 1.00 H new ATOM 0 HE21 GLN A 28 5.556 0.268 1.625 1.00 1.00 H new ATOM 0 HE22 GLN A 28 6.286 0.854 3.123 1.00 1.00 H new ATOM 414 N ALA A 29 3.079 -4.603 4.738 1.00 1.00 N ATOM 415 CA ALA A 29 3.402 -5.257 5.997 1.00 1.00 C ATOM 416 C ALA A 29 4.732 -5.998 5.926 1.00 1.00 C ATOM 417 O ALA A 29 5.654 -5.703 6.687 1.00 1.00 O ATOM 418 CB ALA A 29 2.285 -6.212 6.391 1.00 1.00 C ATOM 0 H ALA A 29 2.246 -4.968 4.276 1.00 1.00 H new ATOM 0 HA ALA A 29 3.499 -4.483 6.758 1.00 1.00 H new ATOM 0 HB1 ALA A 29 2.536 -6.696 7.335 1.00 1.00 H new ATOM 0 HB2 ALA A 29 1.354 -5.656 6.505 1.00 1.00 H new ATOM 0 HB3 ALA A 29 2.163 -6.969 5.616 1.00 1.00 H new ATOM 424 N TYR A 30 4.830 -6.976 5.027 1.00 1.00 N ATOM 425 CA TYR A 30 6.053 -7.758 4.901 1.00 1.00 C ATOM 426 C TYR A 30 6.375 -8.115 3.449 1.00 1.00 C ATOM 427 O TYR A 30 7.293 -8.893 3.193 1.00 1.00 O ATOM 428 CB TYR A 30 5.929 -9.036 5.724 1.00 1.00 C ATOM 429 CG TYR A 30 6.243 -8.846 7.190 1.00 1.00 C ATOM 430 CD1 TYR A 30 7.542 -8.979 7.666 1.00 1.00 C ATOM 431 CD2 TYR A 30 5.240 -8.531 8.096 1.00 1.00 C ATOM 432 CE1 TYR A 30 7.830 -8.805 9.005 1.00 1.00 C ATOM 433 CE2 TYR A 30 5.520 -8.355 9.437 1.00 1.00 C ATOM 434 CZ TYR A 30 6.817 -8.493 9.887 1.00 1.00 C ATOM 435 OH TYR A 30 7.100 -8.317 11.222 1.00 1.00 O ATOM 0 H TYR A 30 4.085 -7.242 4.383 1.00 1.00 H new ATOM 0 HA TYR A 30 6.871 -7.142 5.273 1.00 1.00 H new ATOM 0 HB2 TYR A 30 4.915 -9.424 5.626 1.00 1.00 H new ATOM 0 HB3 TYR A 30 6.600 -9.790 5.312 1.00 1.00 H new ATOM 0 HD1 TYR A 30 8.338 -9.222 6.978 1.00 1.00 H new ATOM 0 HD2 TYR A 30 4.224 -8.422 7.747 1.00 1.00 H new ATOM 0 HE1 TYR A 30 8.844 -8.913 9.360 1.00 1.00 H new ATOM 0 HE2 TYR A 30 4.728 -8.111 10.130 1.00 1.00 H new ATOM 0 HH TYR A 30 6.275 -8.101 11.705 1.00 1.00 H new ATOM 445 N TYR A 31 5.629 -7.557 2.502 1.00 1.00 N ATOM 446 CA TYR A 31 5.869 -7.846 1.094 1.00 1.00 C ATOM 447 C TYR A 31 6.675 -6.730 0.435 1.00 1.00 C ATOM 448 O TYR A 31 7.561 -6.991 -0.379 1.00 1.00 O ATOM 449 CB TYR A 31 4.543 -8.055 0.361 1.00 1.00 C ATOM 450 CG TYR A 31 4.447 -9.386 -0.349 1.00 1.00 C ATOM 451 CD1 TYR A 31 4.193 -10.555 0.358 1.00 1.00 C ATOM 452 CD2 TYR A 31 4.609 -9.476 -1.726 1.00 1.00 C ATOM 453 CE1 TYR A 31 4.104 -11.775 -0.286 1.00 1.00 C ATOM 454 CE2 TYR A 31 4.521 -10.692 -2.378 1.00 1.00 C ATOM 455 CZ TYR A 31 4.269 -11.838 -1.653 1.00 1.00 C ATOM 456 OH TYR A 31 4.180 -13.050 -2.299 1.00 1.00 O ATOM 0 H TYR A 31 4.862 -6.909 2.681 1.00 1.00 H new ATOM 0 HA TYR A 31 6.452 -8.765 1.030 1.00 1.00 H new ATOM 0 HB2 TYR A 31 3.725 -7.975 1.077 1.00 1.00 H new ATOM 0 HB3 TYR A 31 4.409 -7.254 -0.366 1.00 1.00 H new ATOM 0 HD1 TYR A 31 4.063 -10.510 1.429 1.00 1.00 H new ATOM 0 HD2 TYR A 31 4.807 -8.581 -2.297 1.00 1.00 H new ATOM 0 HE1 TYR A 31 3.906 -12.674 0.279 1.00 1.00 H new ATOM 0 HE2 TYR A 31 4.649 -10.744 -3.449 1.00 1.00 H new ATOM 0 HH TYR A 31 4.320 -12.919 -3.260 1.00 1.00 H new ATOM 466 N CYS A 32 6.367 -5.488 0.794 1.00 1.00 N ATOM 467 CA CYS A 32 7.072 -4.336 0.237 1.00 1.00 C ATOM 468 C CYS A 32 8.462 -4.202 0.853 1.00 1.00 C ATOM 469 O CYS A 32 8.721 -3.287 1.635 1.00 1.00 O ATOM 470 CB CYS A 32 6.270 -3.055 0.474 1.00 1.00 C ATOM 471 SG CYS A 32 6.536 -1.768 -0.788 1.00 1.00 S ATOM 0 H CYS A 32 5.637 -5.252 1.466 1.00 1.00 H new ATOM 0 HA CYS A 32 7.182 -4.492 -0.836 1.00 1.00 H new ATOM 0 HB2 CYS A 32 5.209 -3.304 0.506 1.00 1.00 H new ATOM 0 HB3 CYS A 32 6.532 -2.650 1.451 1.00 1.00 H new ATOM 0 HG CYS A 32 6.612 -2.321 -1.962 1.00 1.00 H new ATOM 476 N SER A 33 9.355 -5.122 0.496 1.00 1.00 N ATOM 477 CA SER A 33 10.723 -5.112 1.012 1.00 1.00 C ATOM 478 C SER A 33 10.762 -5.590 2.460 1.00 1.00 C ATOM 479 O SER A 33 9.742 -5.602 3.147 1.00 1.00 O ATOM 480 CB SER A 33 11.332 -3.710 0.908 1.00 1.00 C ATOM 481 OG SER A 33 12.722 -3.777 0.641 1.00 1.00 O ATOM 0 H SER A 33 9.156 -5.886 -0.150 1.00 1.00 H new ATOM 0 HA SER A 33 11.313 -5.797 0.403 1.00 1.00 H new ATOM 0 HB2 SER A 33 10.833 -3.151 0.116 1.00 1.00 H new ATOM 0 HB3 SER A 33 11.163 -3.167 1.838 1.00 1.00 H new ATOM 0 HG SER A 33 13.087 -2.870 0.577 1.00 1.00 H new ATOM 487 N HIS A 34 11.947 -5.984 2.917 1.00 1.00 N ATOM 488 CA HIS A 34 12.117 -6.463 4.285 1.00 1.00 C ATOM 489 C HIS A 34 12.091 -5.302 5.275 1.00 1.00 C ATOM 490 O HIS A 34 13.130 -4.881 5.782 1.00 1.00 O ATOM 491 CB HIS A 34 13.432 -7.233 4.420 1.00 1.00 C ATOM 492 CG HIS A 34 13.477 -8.488 3.604 1.00 1.00 C ATOM 493 ND1 HIS A 34 13.637 -8.489 2.233 1.00 1.00 N ATOM 494 CD2 HIS A 34 13.385 -9.787 3.971 1.00 1.00 C ATOM 495 CE1 HIS A 34 13.639 -9.735 1.794 1.00 1.00 C ATOM 496 NE2 HIS A 34 13.487 -10.542 2.829 1.00 1.00 N ATOM 0 H HIS A 34 12.802 -5.981 2.361 1.00 1.00 H new ATOM 0 HA HIS A 34 11.288 -7.132 4.514 1.00 1.00 H new ATOM 0 HB2 HIS A 34 14.256 -6.585 4.120 1.00 1.00 H new ATOM 0 HB3 HIS A 34 13.590 -7.485 5.469 1.00 1.00 H new ATOM 0 HD2 HIS A 34 13.255 -10.161 4.976 1.00 1.00 H new ATOM 0 HE1 HIS A 34 13.747 -10.042 0.764 1.00 1.00 H new ATOM 0 HE2 HIS A 34 13.451 -11.560 2.786 1.00 1.00 H new ATOM 505 N ARG A 35 10.894 -4.791 5.546 1.00 1.00 N ATOM 506 CA ARG A 35 10.731 -3.680 6.476 1.00 1.00 C ATOM 507 C ARG A 35 10.737 -4.174 7.920 1.00 1.00 C ATOM 508 O ARG A 35 10.573 -5.367 8.178 1.00 1.00 O ATOM 509 CB ARG A 35 9.429 -2.931 6.182 1.00 1.00 C ATOM 510 CG ARG A 35 9.637 -1.599 5.481 1.00 1.00 C ATOM 511 CD ARG A 35 8.385 -0.739 5.534 1.00 1.00 C ATOM 512 NE ARG A 35 8.034 -0.367 6.903 1.00 1.00 N ATOM 513 CZ ARG A 35 7.190 0.615 7.210 1.00 1.00 C ATOM 514 NH1 ARG A 35 6.609 1.326 6.251 1.00 1.00 N ATOM 515 NH2 ARG A 35 6.926 0.888 8.481 1.00 1.00 N ATOM 0 H ARG A 35 10.024 -5.129 5.135 1.00 1.00 H new ATOM 0 HA ARG A 35 11.571 -2.998 6.343 1.00 1.00 H new ATOM 0 HB2 ARG A 35 8.789 -3.561 5.564 1.00 1.00 H new ATOM 0 HB3 ARG A 35 8.899 -2.760 7.119 1.00 1.00 H new ATOM 0 HG2 ARG A 35 10.465 -1.066 5.948 1.00 1.00 H new ATOM 0 HG3 ARG A 35 9.916 -1.773 4.442 1.00 1.00 H new ATOM 0 HD2 ARG A 35 8.539 0.163 4.941 1.00 1.00 H new ATOM 0 HD3 ARG A 35 7.554 -1.280 5.081 1.00 1.00 H new ATOM 0 HE ARG A 35 8.461 -0.890 7.667 1.00 1.00 H new ATOM 0 HH11 ARG A 35 6.809 1.121 5.272 1.00 1.00 H new ATOM 0 HH12 ARG A 35 5.963 2.077 6.493 1.00 1.00 H new ATOM 0 HH21 ARG A 35 7.370 0.345 9.222 1.00 1.00 H new ATOM 0 HH22 ARG A 35 6.279 1.641 8.717 1.00 1.00 H new ATOM 529 N ILE A 36 10.926 -3.250 8.855 1.00 1.00 N ATOM 530 CA ILE A 36 10.953 -3.591 10.272 1.00 1.00 C ATOM 531 C ILE A 36 10.399 -2.450 11.121 1.00 1.00 C ATOM 532 O ILE A 36 9.710 -2.739 12.122 1.00 1.00 O ATOM 533 CB ILE A 36 12.384 -3.925 10.742 1.00 1.00 C ATOM 534 CG1 ILE A 36 12.375 -4.379 12.204 1.00 1.00 C ATOM 535 CG2 ILE A 36 13.300 -2.724 10.560 1.00 1.00 C ATOM 536 CD1 ILE A 36 13.695 -4.958 12.665 1.00 1.00 C ATOM 537 OXT ILE A 36 10.661 -1.277 10.780 1.00 1.00 O ATOM 0 H ILE A 36 11.063 -2.259 8.657 1.00 1.00 H new ATOM 0 HA ILE A 36 10.324 -4.472 10.400 1.00 1.00 H new ATOM 0 HB ILE A 36 12.766 -4.742 10.130 1.00 1.00 H new ATOM 0 HG12 ILE A 36 12.118 -3.530 12.838 1.00 1.00 H new ATOM 0 HG13 ILE A 36 11.593 -5.126 12.339 1.00 1.00 H new ATOM 0 HG21 ILE A 36 14.305 -2.978 10.897 1.00 1.00 H new ATOM 0 HG22 ILE A 36 13.330 -2.446 9.507 1.00 1.00 H new ATOM 0 HG23 ILE A 36 12.922 -1.886 11.146 1.00 1.00 H new ATOM 0 HD11 ILE A 36 13.616 -5.258 13.710 1.00 1.00 H new ATOM 0 HD12 ILE A 36 13.944 -5.827 12.056 1.00 1.00 H new ATOM 0 HD13 ILE A 36 14.478 -4.206 12.562 1.00 1.00 H new