USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 279 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 Single : A 1 GLU N :NH3+ -112:sc= 0.133 (180deg=0.0782) USER MOD Single : A 7 LYS NZ :NH3+ -146:sc= 1.19 (180deg=0.256) USER MOD Single : A 10 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.2) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.0513 X(o=-0.051,f=-0.46) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= -0.0469 (180deg=-0.296) USER MOD Single : A 19 SER OG : rot -118:sc= 0.183 USER MOD Single : A 20 SER OG : rot 38:sc= 0.845 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.173) USER MOD Single : A 28 THR OG1 : rot 135:sc= 1.93 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0614 K(o=-0.061,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.190 1.035 -2.236 1.00 0.00 N ATOM 2 CA GLU A 1 2.450 0.362 -0.969 1.00 0.00 C ATOM 3 C GLU A 1 3.225 -0.933 -1.190 1.00 0.00 C ATOM 4 O GLU A 1 3.481 -1.331 -2.327 1.00 0.00 O ATOM 5 CB GLU A 1 1.135 0.066 -0.245 1.00 0.00 C ATOM 6 CG GLU A 1 0.679 1.189 0.671 1.00 0.00 C ATOM 7 CD GLU A 1 -0.216 2.190 -0.034 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.321 3.096 -0.705 1.00 0.00 O ATOM 9 OE2 GLU A 1 -1.453 2.066 0.084 1.00 0.00 O ATOM 0 H1 GLU A 1 2.736 1.919 -2.278 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.472 0.416 -3.022 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.176 1.251 -2.313 1.00 0.00 H new ATOM 0 HA GLU A 1 3.055 1.026 -0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.358 -0.126 -0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.250 -0.846 0.341 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.144 0.765 1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.552 1.705 1.069 1.00 0.00 H new ATOM 16 N CYS A 2 3.598 -1.587 -0.095 1.00 0.00 N ATOM 17 CA CYS A 2 4.344 -2.837 -0.167 1.00 0.00 C ATOM 18 C CYS A 2 4.041 -3.722 1.039 1.00 0.00 C ATOM 19 O CYS A 2 3.707 -3.229 2.117 1.00 0.00 O ATOM 20 CB CYS A 2 5.846 -2.555 -0.241 1.00 0.00 C ATOM 21 SG CYS A 2 6.423 -1.286 0.932 1.00 0.00 S ATOM 0 H CYS A 2 3.395 -1.271 0.854 1.00 0.00 H new ATOM 0 HA CYS A 2 4.035 -3.364 -1.069 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.388 -3.482 -0.053 1.00 0.00 H new ATOM 0 HB3 CYS A 2 6.096 -2.239 -1.254 1.00 0.00 H new ATOM 26 N LEU A 3 4.159 -5.032 0.849 1.00 0.00 N ATOM 27 CA LEU A 3 3.898 -5.987 1.920 1.00 0.00 C ATOM 28 C LEU A 3 4.869 -5.784 3.079 1.00 0.00 C ATOM 29 O LEU A 3 5.969 -6.334 3.082 1.00 0.00 O ATOM 30 CB LEU A 3 4.008 -7.418 1.392 1.00 0.00 C ATOM 31 CG LEU A 3 5.231 -7.722 0.527 1.00 0.00 C ATOM 32 CD1 LEU A 3 6.226 -8.582 1.292 1.00 0.00 C ATOM 33 CD2 LEU A 3 4.814 -8.409 -0.765 1.00 0.00 C ATOM 0 H LEU A 3 4.434 -5.457 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 3 2.885 -5.818 2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.012 -8.099 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.113 -7.639 0.811 1.00 0.00 H new ATOM 0 HG LEU A 3 5.715 -6.779 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.090 -8.788 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.550 -8.053 2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.752 -9.521 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.698 -8.618 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.305 -9.344 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.140 -7.758 -1.322 1.00 0.00 H new ATOM 45 N GLU A 4 4.451 -4.993 4.063 1.00 0.00 N ATOM 46 CA GLU A 4 5.284 -4.720 5.228 1.00 0.00 C ATOM 47 C GLU A 4 5.016 -5.731 6.338 1.00 0.00 C ATOM 48 O GLU A 4 5.495 -6.865 6.289 1.00 0.00 O ATOM 49 CB GLU A 4 5.031 -3.301 5.742 1.00 0.00 C ATOM 50 CG GLU A 4 5.634 -2.218 4.865 1.00 0.00 C ATOM 51 CD GLU A 4 5.463 -0.830 5.451 1.00 0.00 C ATOM 52 OE1 GLU A 4 5.877 -0.620 6.610 1.00 0.00 O ATOM 53 OE2 GLU A 4 4.916 0.046 4.749 1.00 0.00 O ATOM 0 H GLU A 4 3.542 -4.531 4.076 1.00 0.00 H new ATOM 0 HA GLU A 4 6.327 -4.808 4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.956 -3.138 5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.439 -3.210 6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.696 -2.420 4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.168 -2.252 3.880 1.00 0.00 H new ATOM 60 N ILE A 5 4.247 -5.313 7.338 1.00 0.00 N ATOM 61 CA ILE A 5 3.914 -6.182 8.460 1.00 0.00 C ATOM 62 C ILE A 5 2.632 -6.962 8.189 1.00 0.00 C ATOM 63 O ILE A 5 1.678 -6.432 7.619 1.00 0.00 O ATOM 64 CB ILE A 5 3.748 -5.379 9.764 1.00 0.00 C ATOM 65 CG1 ILE A 5 3.656 -6.325 10.963 1.00 0.00 C ATOM 66 CG2 ILE A 5 2.514 -4.492 9.686 1.00 0.00 C ATOM 67 CD1 ILE A 5 4.970 -6.511 11.689 1.00 0.00 C ATOM 0 H ILE A 5 3.843 -4.378 7.394 1.00 0.00 H new ATOM 0 HA ILE A 5 4.743 -6.880 8.576 1.00 0.00 H new ATOM 0 HB ILE A 5 4.622 -4.741 9.895 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.915 -5.940 11.663 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.298 -7.296 10.622 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.410 -3.931 10.615 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.617 -3.798 8.852 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.630 -5.111 9.535 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.829 -7.194 12.527 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.709 -6.926 11.003 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.320 -5.548 12.061 1.00 0.00 H new ATOM 79 N PHE A 6 2.615 -8.224 8.605 1.00 0.00 N ATOM 80 CA PHE A 6 1.449 -9.078 8.409 1.00 0.00 C ATOM 81 C PHE A 6 1.053 -9.128 6.936 1.00 0.00 C ATOM 82 O PHE A 6 -0.066 -9.511 6.594 1.00 0.00 O ATOM 83 CB PHE A 6 0.273 -8.573 9.248 1.00 0.00 C ATOM 84 CG PHE A 6 0.583 -8.471 10.714 1.00 0.00 C ATOM 85 CD1 PHE A 6 0.856 -9.608 11.458 1.00 0.00 C ATOM 86 CD2 PHE A 6 0.601 -7.240 11.348 1.00 0.00 C ATOM 87 CE1 PHE A 6 1.142 -9.518 12.807 1.00 0.00 C ATOM 88 CE2 PHE A 6 0.886 -7.143 12.697 1.00 0.00 C ATOM 89 CZ PHE A 6 1.156 -8.284 13.428 1.00 0.00 C ATOM 0 H PHE A 6 3.395 -8.678 9.080 1.00 0.00 H new ATOM 0 HA PHE A 6 1.710 -10.086 8.732 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.031 -7.593 8.880 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.576 -9.243 9.110 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.845 -10.575 10.978 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.390 -6.345 10.782 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.354 -10.412 13.375 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.898 -6.177 13.179 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.378 -8.211 14.483 1.00 0.00 H new ATOM 99 N LYS A 7 1.979 -8.737 6.067 1.00 0.00 N ATOM 100 CA LYS A 7 1.730 -8.737 4.630 1.00 0.00 C ATOM 101 C LYS A 7 2.365 -9.955 3.968 1.00 0.00 C ATOM 102 O LYS A 7 3.542 -10.246 4.180 1.00 0.00 O ATOM 103 CB LYS A 7 2.277 -7.455 3.997 1.00 0.00 C ATOM 104 CG LYS A 7 1.744 -6.185 4.637 1.00 0.00 C ATOM 105 CD LYS A 7 0.287 -6.334 5.044 1.00 0.00 C ATOM 106 CE LYS A 7 -0.340 -4.989 5.373 1.00 0.00 C ATOM 107 NZ LYS A 7 0.459 -4.235 6.379 1.00 0.00 N ATOM 0 H LYS A 7 2.910 -8.416 6.333 1.00 0.00 H new ATOM 0 HA LYS A 7 0.652 -8.781 4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.365 -7.459 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.028 -7.449 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.344 -5.939 5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.844 -5.355 3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.271 -6.809 4.237 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.216 -6.992 5.910 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.428 -4.397 4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.350 -5.142 5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.180 -3.683 6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.001 -4.903 6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.114 -3.592 5.891 1.00 0.00 H new ATOM 121 N ALA A 8 1.579 -10.663 3.163 1.00 0.00 N ATOM 122 CA ALA A 8 2.066 -11.847 2.467 1.00 0.00 C ATOM 123 C ALA A 8 3.186 -11.491 1.495 1.00 0.00 C ATOM 124 O ALA A 8 3.130 -10.465 0.816 1.00 0.00 O ATOM 125 CB ALA A 8 0.925 -12.534 1.731 1.00 0.00 C ATOM 0 H ALA A 8 0.602 -10.437 2.977 1.00 0.00 H new ATOM 0 HA ALA A 8 2.470 -12.534 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.304 -13.417 1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.158 -12.832 2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.495 -11.846 1.003 1.00 0.00 H new ATOM 131 N CYS A 9 4.203 -12.343 1.434 1.00 0.00 N ATOM 132 CA CYS A 9 5.338 -12.119 0.546 1.00 0.00 C ATOM 133 C CYS A 9 5.370 -13.159 -0.570 1.00 0.00 C ATOM 134 O CYS A 9 4.957 -14.302 -0.379 1.00 0.00 O ATOM 135 CB CYS A 9 6.647 -12.162 1.336 1.00 0.00 C ATOM 136 SG CYS A 9 6.973 -13.760 2.148 1.00 0.00 S ATOM 0 H CYS A 9 4.265 -13.196 1.990 1.00 0.00 H new ATOM 0 HA CYS A 9 5.225 -11.133 0.096 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.473 -11.934 0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.628 -11.379 2.094 1.00 0.00 H new ATOM 141 N ASN A 10 5.863 -12.754 -1.735 1.00 0.00 N ATOM 142 CA ASN A 10 5.949 -13.650 -2.883 1.00 0.00 C ATOM 143 C ASN A 10 7.043 -14.693 -2.677 1.00 0.00 C ATOM 144 O ASN A 10 8.045 -14.454 -2.002 1.00 0.00 O ATOM 145 CB ASN A 10 6.222 -12.853 -4.160 1.00 0.00 C ATOM 146 CG ASN A 10 5.110 -12.998 -5.180 1.00 0.00 C ATOM 147 OD1 ASN A 10 3.941 -12.750 -4.881 1.00 0.00 O ATOM 148 ND2 ASN A 10 5.469 -13.402 -6.393 1.00 0.00 N ATOM 0 H ASN A 10 6.209 -11.811 -1.910 1.00 0.00 H new ATOM 0 HA ASN A 10 4.994 -14.165 -2.983 1.00 0.00 H new ATOM 0 HB2 ASN A 10 6.345 -11.800 -3.908 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.161 -13.188 -4.600 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.764 -13.518 -7.121 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.449 -13.596 -6.596 1.00 0.00 H new ATOM 155 N PRO A 11 6.850 -15.879 -3.273 1.00 0.00 N ATOM 156 CA PRO A 11 7.810 -16.982 -3.172 1.00 0.00 C ATOM 157 C PRO A 11 9.101 -16.699 -3.933 1.00 0.00 C ATOM 158 O PRO A 11 10.167 -17.197 -3.571 1.00 0.00 O ATOM 159 CB PRO A 11 7.065 -18.160 -3.803 1.00 0.00 C ATOM 160 CG PRO A 11 6.083 -17.534 -4.732 1.00 0.00 C ATOM 161 CD PRO A 11 5.680 -16.234 -4.093 1.00 0.00 C ATOM 0 HA PRO A 11 8.120 -17.159 -2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.749 -18.821 -4.336 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.564 -18.763 -3.046 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.527 -17.366 -5.713 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.218 -18.181 -4.880 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.466 -15.469 -4.839 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.782 -16.347 -3.485 1.00 0.00 H new ATOM 169 N SER A 12 8.997 -15.897 -4.987 1.00 0.00 N ATOM 170 CA SER A 12 10.156 -15.551 -5.802 1.00 0.00 C ATOM 171 C SER A 12 10.856 -14.312 -5.251 1.00 0.00 C ATOM 172 O SER A 12 12.072 -14.168 -5.370 1.00 0.00 O ATOM 173 CB SER A 12 9.734 -15.309 -7.252 1.00 0.00 C ATOM 174 OG SER A 12 10.760 -15.688 -8.152 1.00 0.00 O ATOM 0 H SER A 12 8.122 -15.474 -5.297 1.00 0.00 H new ATOM 0 HA SER A 12 10.854 -16.387 -5.770 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.828 -15.875 -7.470 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.493 -14.255 -7.393 1.00 0.00 H new ATOM 0 HG SER A 12 10.465 -15.525 -9.072 1.00 0.00 H new ATOM 180 N ASN A 13 10.078 -13.419 -4.648 1.00 0.00 N ATOM 181 CA ASN A 13 10.622 -12.191 -4.079 1.00 0.00 C ATOM 182 C ASN A 13 11.087 -12.416 -2.643 1.00 0.00 C ATOM 183 O ASN A 13 12.282 -12.375 -2.353 1.00 0.00 O ATOM 184 CB ASN A 13 9.573 -11.078 -4.119 1.00 0.00 C ATOM 185 CG ASN A 13 9.548 -10.355 -5.452 1.00 0.00 C ATOM 186 OD1 ASN A 13 9.132 -10.915 -6.466 1.00 0.00 O ATOM 187 ND2 ASN A 13 9.994 -9.105 -5.455 1.00 0.00 N ATOM 0 H ASN A 13 9.069 -13.523 -4.541 1.00 0.00 H new ATOM 0 HA ASN A 13 11.482 -11.892 -4.678 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.589 -11.503 -3.921 1.00 0.00 H new ATOM 0 HB3 ASN A 13 9.777 -10.361 -3.324 1.00 0.00 H new ATOM 0 HD21 ASN A 13 10.001 -8.568 -6.322 1.00 0.00 H new ATOM 0 HD22 ASN A 13 10.330 -8.681 -4.590 1.00 0.00 H new ATOM 194 N ASP A 14 10.133 -12.655 -1.749 1.00 0.00 N ATOM 195 CA ASP A 14 10.444 -12.888 -0.344 1.00 0.00 C ATOM 196 C ASP A 14 11.097 -11.658 0.280 1.00 0.00 C ATOM 197 O ASP A 14 11.118 -11.508 1.501 1.00 0.00 O ATOM 198 CB ASP A 14 11.366 -14.100 -0.198 1.00 0.00 C ATOM 199 CG ASP A 14 12.770 -13.711 0.222 1.00 0.00 C ATOM 200 OD1 ASP A 14 12.967 -13.396 1.414 1.00 0.00 O ATOM 201 OD2 ASP A 14 13.672 -13.722 -0.642 1.00 0.00 O ATOM 0 H ASP A 14 9.139 -12.692 -1.973 1.00 0.00 H new ATOM 0 HA ASP A 14 9.510 -13.086 0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 14 10.946 -14.786 0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.409 -14.637 -1.146 1.00 0.00 H new ATOM 206 N GLN A 15 11.628 -10.783 -0.567 1.00 0.00 N ATOM 207 CA GLN A 15 12.283 -9.568 -0.098 1.00 0.00 C ATOM 208 C GLN A 15 11.263 -8.581 0.462 1.00 0.00 C ATOM 209 O GLN A 15 10.694 -7.775 -0.275 1.00 0.00 O ATOM 210 CB GLN A 15 13.070 -8.915 -1.236 1.00 0.00 C ATOM 211 CG GLN A 15 13.898 -7.719 -0.795 1.00 0.00 C ATOM 212 CD GLN A 15 15.014 -8.100 0.156 1.00 0.00 C ATOM 213 OE1 GLN A 15 15.657 -9.138 -0.006 1.00 0.00 O ATOM 214 NE2 GLN A 15 15.252 -7.261 1.158 1.00 0.00 N ATOM 0 H GLN A 15 11.618 -10.892 -1.581 1.00 0.00 H new ATOM 0 HA GLN A 15 12.973 -9.843 0.700 1.00 0.00 H new ATOM 0 HB2 GLN A 15 13.730 -9.658 -1.683 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.374 -8.598 -2.013 1.00 0.00 H new ATOM 0 HG2 GLN A 15 14.324 -7.234 -1.673 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.247 -6.990 -0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.695 -6.412 1.255 1.00 0.00 H new ATOM 0 HE22 GLN A 15 15.991 -7.466 1.830 1.00 0.00 H new ATOM 223 N CYS A 16 11.036 -8.650 1.769 1.00 0.00 N ATOM 224 CA CYS A 16 10.085 -7.764 2.428 1.00 0.00 C ATOM 225 C CYS A 16 10.492 -6.304 2.257 1.00 0.00 C ATOM 226 O CYS A 16 11.679 -5.983 2.183 1.00 0.00 O ATOM 227 CB CYS A 16 9.984 -8.106 3.916 1.00 0.00 C ATOM 228 SG CYS A 16 8.321 -7.875 4.621 1.00 0.00 S ATOM 0 H CYS A 16 11.498 -9.311 2.393 1.00 0.00 H new ATOM 0 HA CYS A 16 9.110 -7.908 1.962 1.00 0.00 H new ATOM 0 HB2 CYS A 16 10.287 -9.143 4.061 1.00 0.00 H new ATOM 0 HB3 CYS A 16 10.690 -7.487 4.469 1.00 0.00 H new ATOM 233 N CYS A 17 9.500 -5.422 2.195 1.00 0.00 N ATOM 234 CA CYS A 17 9.753 -3.995 2.032 1.00 0.00 C ATOM 235 C CYS A 17 10.784 -3.507 3.046 1.00 0.00 C ATOM 236 O CYS A 17 10.888 -4.042 4.150 1.00 0.00 O ATOM 237 CB CYS A 17 8.453 -3.204 2.188 1.00 0.00 C ATOM 238 SG CYS A 17 8.387 -1.679 1.194 1.00 0.00 S ATOM 0 H CYS A 17 8.513 -5.671 2.255 1.00 0.00 H new ATOM 0 HA CYS A 17 10.150 -3.833 1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.615 -3.843 1.909 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.321 -2.946 3.239 1.00 0.00 H new ATOM 243 N LYS A 18 11.544 -2.486 2.664 1.00 0.00 N ATOM 244 CA LYS A 18 12.565 -1.923 3.539 1.00 0.00 C ATOM 245 C LYS A 18 11.951 -0.938 4.529 1.00 0.00 C ATOM 246 O LYS A 18 12.654 -0.350 5.351 1.00 0.00 O ATOM 247 CB LYS A 18 13.646 -1.223 2.711 1.00 0.00 C ATOM 248 CG LYS A 18 14.405 -2.160 1.787 1.00 0.00 C ATOM 249 CD LYS A 18 15.556 -2.841 2.508 1.00 0.00 C ATOM 250 CE LYS A 18 16.804 -1.972 2.512 1.00 0.00 C ATOM 251 NZ LYS A 18 17.408 -1.861 1.155 1.00 0.00 N ATOM 0 H LYS A 18 11.472 -2.032 1.754 1.00 0.00 H new ATOM 0 HA LYS A 18 13.018 -2.740 4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.183 -0.435 2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.353 -0.740 3.386 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.724 -2.914 1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.789 -1.600 0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.263 -3.063 3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.776 -3.793 2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.552 -0.977 2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.536 -2.391 3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.402 -1.566 1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.361 -2.784 0.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.884 -1.156 0.598 1.00 0.00 H new ATOM 265 N SER A 19 10.636 -0.764 4.445 1.00 0.00 N ATOM 266 CA SER A 19 9.928 0.152 5.332 1.00 0.00 C ATOM 267 C SER A 19 10.103 -0.260 6.790 1.00 0.00 C ATOM 268 O SER A 19 9.994 0.565 7.697 1.00 0.00 O ATOM 269 CB SER A 19 8.440 0.191 4.977 1.00 0.00 C ATOM 270 OG SER A 19 7.809 1.323 5.549 1.00 0.00 O ATOM 0 H SER A 19 10.039 -1.245 3.772 1.00 0.00 H new ATOM 0 HA SER A 19 10.352 1.147 5.200 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.322 0.214 3.894 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.954 -0.718 5.332 1.00 0.00 H new ATOM 0 HG SER A 19 7.115 1.029 6.175 1.00 0.00 H new ATOM 276 N SER A 20 10.377 -1.543 7.008 1.00 0.00 N ATOM 277 CA SER A 20 10.564 -2.067 8.356 1.00 0.00 C ATOM 278 C SER A 20 11.257 -3.425 8.319 1.00 0.00 C ATOM 279 O SER A 20 11.107 -4.187 7.363 1.00 0.00 O ATOM 280 CB SER A 20 9.216 -2.188 9.070 1.00 0.00 C ATOM 281 OG SER A 20 8.889 -0.988 9.748 1.00 0.00 O ATOM 0 H SER A 20 10.474 -2.238 6.268 1.00 0.00 H new ATOM 0 HA SER A 20 11.197 -1.371 8.906 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.437 -2.424 8.345 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.250 -3.013 9.781 1.00 0.00 H new ATOM 0 HG SER A 20 9.171 -0.220 9.209 1.00 0.00 H new ATOM 287 N LYS A 21 12.017 -3.723 9.367 1.00 0.00 N ATOM 288 CA LYS A 21 12.734 -4.989 9.458 1.00 0.00 C ATOM 289 C LYS A 21 11.767 -6.146 9.691 1.00 0.00 C ATOM 290 O LYS A 21 11.289 -6.354 10.807 1.00 0.00 O ATOM 291 CB LYS A 21 13.764 -4.936 10.589 1.00 0.00 C ATOM 292 CG LYS A 21 15.107 -4.371 10.162 1.00 0.00 C ATOM 293 CD LYS A 21 14.986 -2.924 9.712 1.00 0.00 C ATOM 294 CE LYS A 21 16.346 -2.327 9.383 1.00 0.00 C ATOM 295 NZ LYS A 21 16.227 -1.119 8.521 1.00 0.00 N ATOM 0 H LYS A 21 12.152 -3.104 10.166 1.00 0.00 H new ATOM 0 HA LYS A 21 13.250 -5.154 8.512 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.366 -4.330 11.403 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.911 -5.942 10.983 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.811 -4.437 10.992 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.514 -4.973 9.350 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.341 -2.867 8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.510 -2.336 10.497 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.861 -2.064 10.307 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.958 -3.074 8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.175 -0.742 8.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.759 -1.374 7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.664 -0.396 9.013 1.00 0.00 H new ATOM 309 N LEU A 22 11.486 -6.898 8.633 1.00 0.00 N ATOM 310 CA LEU A 22 10.577 -8.035 8.722 1.00 0.00 C ATOM 311 C LEU A 22 11.079 -9.201 7.877 1.00 0.00 C ATOM 312 O LEU A 22 11.741 -9.003 6.858 1.00 0.00 O ATOM 313 CB LEU A 22 9.174 -7.629 8.268 1.00 0.00 C ATOM 314 CG LEU A 22 8.543 -6.451 9.011 1.00 0.00 C ATOM 315 CD1 LEU A 22 7.543 -5.732 8.120 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.872 -6.926 10.292 1.00 0.00 C ATOM 0 H LEU A 22 11.875 -6.741 7.703 1.00 0.00 H new ATOM 0 HA LEU A 22 10.537 -8.355 9.763 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.214 -7.384 7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.516 -8.492 8.371 1.00 0.00 H new ATOM 0 HG LEU A 22 9.333 -5.749 9.277 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.104 -4.897 8.666 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.051 -5.358 7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.756 -6.425 7.823 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.428 -6.074 10.808 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.093 -7.649 10.048 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.613 -7.396 10.938 1.00 0.00 H new ATOM 328 N VAL A 23 10.759 -10.418 8.306 1.00 0.00 N ATOM 329 CA VAL A 23 11.175 -11.616 7.587 1.00 0.00 C ATOM 330 C VAL A 23 10.008 -12.579 7.402 1.00 0.00 C ATOM 331 O VAL A 23 9.105 -12.646 8.238 1.00 0.00 O ATOM 332 CB VAL A 23 12.316 -12.345 8.323 1.00 0.00 C ATOM 333 CG1 VAL A 23 13.615 -11.563 8.201 1.00 0.00 C ATOM 334 CG2 VAL A 23 11.951 -12.566 9.783 1.00 0.00 C ATOM 0 H VAL A 23 10.213 -10.600 9.148 1.00 0.00 H new ATOM 0 HA VAL A 23 11.532 -11.290 6.610 1.00 0.00 H new ATOM 0 HB VAL A 23 12.462 -13.320 7.857 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.409 -12.093 8.727 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.881 -11.461 7.149 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.487 -10.574 8.640 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.768 -13.082 10.288 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.777 -11.604 10.264 1.00 0.00 H new ATOM 0 HG23 VAL A 23 11.046 -13.171 9.844 1.00 0.00 H new ATOM 344 N CYS A 24 10.031 -13.325 6.303 1.00 0.00 N ATOM 345 CA CYS A 24 8.975 -14.285 6.006 1.00 0.00 C ATOM 346 C CYS A 24 9.548 -15.538 5.350 1.00 0.00 C ATOM 347 O CYS A 24 8.840 -16.265 4.653 1.00 0.00 O ATOM 348 CB CYS A 24 7.924 -13.653 5.093 1.00 0.00 C ATOM 349 SG CYS A 24 8.495 -13.370 3.386 1.00 0.00 S ATOM 0 H CYS A 24 10.771 -13.283 5.602 1.00 0.00 H new ATOM 0 HA CYS A 24 8.504 -14.571 6.946 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.045 -14.297 5.069 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.610 -12.701 5.522 1.00 0.00 H new ATOM 354 N SER A 25 10.834 -15.784 5.579 1.00 0.00 N ATOM 355 CA SER A 25 11.504 -16.946 5.007 1.00 0.00 C ATOM 356 C SER A 25 10.898 -18.240 5.544 1.00 0.00 C ATOM 357 O SER A 25 10.154 -18.927 4.844 1.00 0.00 O ATOM 358 CB SER A 25 13.001 -16.903 5.318 1.00 0.00 C ATOM 359 OG SER A 25 13.715 -16.230 4.296 1.00 0.00 O ATOM 0 H SER A 25 11.433 -15.194 6.157 1.00 0.00 H new ATOM 0 HA SER A 25 11.365 -16.920 3.926 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.163 -16.400 6.271 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.383 -17.918 5.425 1.00 0.00 H new ATOM 0 HG SER A 25 14.669 -16.215 4.519 1.00 0.00 H new ATOM 365 N ARG A 26 11.224 -18.565 6.791 1.00 0.00 N ATOM 366 CA ARG A 26 10.714 -19.777 7.422 1.00 0.00 C ATOM 367 C ARG A 26 9.488 -19.469 8.276 1.00 0.00 C ATOM 368 O ARG A 26 8.696 -20.359 8.589 1.00 0.00 O ATOM 369 CB ARG A 26 11.800 -20.424 8.284 1.00 0.00 C ATOM 370 CG ARG A 26 12.136 -19.632 9.536 1.00 0.00 C ATOM 371 CD ARG A 26 13.603 -19.779 9.911 1.00 0.00 C ATOM 372 NE ARG A 26 13.897 -21.100 10.460 1.00 0.00 N ATOM 373 CZ ARG A 26 14.970 -21.367 11.197 1.00 0.00 C ATOM 374 NH1 ARG A 26 15.845 -20.410 11.472 1.00 0.00 N ATOM 375 NH2 ARG A 26 15.169 -22.594 11.661 1.00 0.00 N ATOM 0 H ARG A 26 11.838 -18.007 7.384 1.00 0.00 H new ATOM 0 HA ARG A 26 10.422 -20.472 6.635 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.475 -21.424 8.573 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.704 -20.543 7.686 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.904 -18.579 9.375 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.512 -19.973 10.362 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.222 -19.606 9.030 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.869 -19.015 10.642 1.00 0.00 H new ATOM 0 HE ARG A 26 13.243 -21.859 10.267 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.696 -19.465 11.118 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.668 -20.618 12.038 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.498 -23.333 11.452 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.993 -22.798 12.227 1.00 0.00 H new ATOM 389 N LYS A 27 9.336 -18.204 8.652 1.00 0.00 N ATOM 390 CA LYS A 27 8.207 -17.778 9.470 1.00 0.00 C ATOM 391 C LYS A 27 6.894 -17.941 8.711 1.00 0.00 C ATOM 392 O LYS A 27 6.845 -18.590 7.665 1.00 0.00 O ATOM 393 CB LYS A 27 8.383 -16.319 9.898 1.00 0.00 C ATOM 394 CG LYS A 27 9.729 -16.031 10.539 1.00 0.00 C ATOM 395 CD LYS A 27 9.618 -14.960 11.611 1.00 0.00 C ATOM 396 CE LYS A 27 10.602 -15.203 12.746 1.00 0.00 C ATOM 397 NZ LYS A 27 11.997 -15.356 12.247 1.00 0.00 N ATOM 0 H LYS A 27 9.982 -17.455 8.403 1.00 0.00 H new ATOM 0 HA LYS A 27 8.174 -18.409 10.358 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.260 -15.676 9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.592 -16.057 10.601 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.128 -16.946 10.977 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.436 -15.710 9.774 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.805 -13.981 11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.602 -14.943 12.006 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.557 -14.372 13.450 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.311 -16.100 13.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.659 -14.942 12.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.213 -16.366 12.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.095 -14.867 11.334 1.00 0.00 H new ATOM 411 N THR A 28 5.830 -17.348 9.243 1.00 0.00 N ATOM 412 CA THR A 28 4.517 -17.427 8.617 1.00 0.00 C ATOM 413 C THR A 28 4.542 -16.839 7.211 1.00 0.00 C ATOM 414 O THR A 28 5.497 -16.163 6.827 1.00 0.00 O ATOM 415 CB THR A 28 3.451 -16.691 9.450 1.00 0.00 C ATOM 416 OG1 THR A 28 4.018 -15.518 10.044 1.00 0.00 O ATOM 417 CG2 THR A 28 2.893 -17.597 10.537 1.00 0.00 C ATOM 0 H THR A 28 5.853 -16.807 10.107 1.00 0.00 H new ATOM 0 HA THR A 28 4.257 -18.484 8.562 1.00 0.00 H new ATOM 0 HB THR A 28 2.636 -16.404 8.785 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.405 -14.762 9.926 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.142 -17.055 11.112 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.436 -18.475 10.080 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.700 -17.911 11.199 1.00 0.00 H new ATOM 425 N ARG A 29 3.486 -17.099 6.446 1.00 0.00 N ATOM 426 CA ARG A 29 3.388 -16.595 5.082 1.00 0.00 C ATOM 427 C ARG A 29 3.441 -15.071 5.060 1.00 0.00 C ATOM 428 O ARG A 29 3.735 -14.464 4.030 1.00 0.00 O ATOM 429 CB ARG A 29 2.093 -17.081 4.428 1.00 0.00 C ATOM 430 CG ARG A 29 2.217 -18.448 3.774 1.00 0.00 C ATOM 431 CD ARG A 29 0.933 -18.841 3.059 1.00 0.00 C ATOM 432 NE ARG A 29 -0.135 -19.176 3.998 1.00 0.00 N ATOM 433 CZ ARG A 29 -0.148 -20.284 4.731 1.00 0.00 C ATOM 434 NH1 ARG A 29 0.844 -21.159 4.634 1.00 0.00 N ATOM 435 NH2 ARG A 29 -1.155 -20.519 5.562 1.00 0.00 N ATOM 0 H ARG A 29 2.687 -17.656 6.748 1.00 0.00 H new ATOM 0 HA ARG A 29 4.238 -16.979 4.518 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.307 -17.118 5.182 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.780 -16.355 3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.043 -18.439 3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.457 -19.195 4.531 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.609 -18.021 2.419 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.126 -19.695 2.410 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.913 -18.524 4.096 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.619 -20.982 3.995 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.831 -22.009 5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.920 -19.849 5.639 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.164 -21.370 6.124 1.00 0.00 H new ATOM 449 N TRP A 30 3.153 -14.458 6.203 1.00 0.00 N ATOM 450 CA TRP A 30 3.167 -13.004 6.315 1.00 0.00 C ATOM 451 C TRP A 30 4.438 -12.523 7.006 1.00 0.00 C ATOM 452 O TRP A 30 4.939 -13.170 7.926 1.00 0.00 O ATOM 453 CB TRP A 30 1.938 -12.520 7.086 1.00 0.00 C ATOM 454 CG TRP A 30 1.866 -13.055 8.485 1.00 0.00 C ATOM 455 CD1 TRP A 30 2.464 -12.531 9.595 1.00 0.00 C ATOM 456 CD2 TRP A 30 1.155 -14.219 8.921 1.00 0.00 C ATOM 457 NE1 TRP A 30 2.169 -13.300 10.695 1.00 0.00 N ATOM 458 CE2 TRP A 30 1.367 -14.340 10.308 1.00 0.00 C ATOM 459 CE3 TRP A 30 0.360 -15.169 8.275 1.00 0.00 C ATOM 460 CZ2 TRP A 30 0.813 -15.375 11.058 1.00 0.00 C ATOM 461 CZ3 TRP A 30 -0.190 -16.195 9.020 1.00 0.00 C ATOM 462 CH2 TRP A 30 0.038 -16.291 10.400 1.00 0.00 C ATOM 0 H TRP A 30 2.907 -14.945 7.065 1.00 0.00 H new ATOM 0 HA TRP A 30 3.144 -12.587 5.308 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.946 -11.431 7.121 1.00 0.00 H new ATOM 0 HB3 TRP A 30 1.039 -12.815 6.545 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.078 -11.643 9.607 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.495 -13.124 11.646 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.178 -15.103 7.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 0.989 -15.452 12.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.806 -16.935 8.531 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -0.407 -17.104 10.955 1.00 0.00 H new ATOM 473 N CYS A 31 4.956 -11.385 6.557 1.00 0.00 N ATOM 474 CA CYS A 31 6.170 -10.817 7.131 1.00 0.00 C ATOM 475 C CYS A 31 5.982 -10.522 8.617 1.00 0.00 C ATOM 476 O CYS A 31 5.011 -9.878 9.015 1.00 0.00 O ATOM 477 CB CYS A 31 6.559 -9.537 6.391 1.00 0.00 C ATOM 478 SG CYS A 31 7.726 -9.798 5.016 1.00 0.00 S ATOM 0 H CYS A 31 4.554 -10.837 5.796 1.00 0.00 H new ATOM 0 HA CYS A 31 6.971 -11.549 7.022 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.656 -9.066 6.003 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.002 -8.839 7.102 1.00 0.00 H new ATOM 483 N LYS A 32 6.917 -10.997 9.432 1.00 0.00 N ATOM 484 CA LYS A 32 6.857 -10.783 10.873 1.00 0.00 C ATOM 485 C LYS A 32 8.215 -10.351 11.416 1.00 0.00 C ATOM 486 O LYS A 32 9.258 -10.721 10.875 1.00 0.00 O ATOM 487 CB LYS A 32 6.397 -12.060 11.580 1.00 0.00 C ATOM 488 CG LYS A 32 4.896 -12.126 11.801 1.00 0.00 C ATOM 489 CD LYS A 32 4.514 -11.634 13.187 1.00 0.00 C ATOM 490 CE LYS A 32 3.528 -12.577 13.860 1.00 0.00 C ATOM 491 NZ LYS A 32 3.502 -12.390 15.337 1.00 0.00 N ATOM 0 H LYS A 32 7.726 -11.533 9.119 1.00 0.00 H new ATOM 0 HA LYS A 32 6.138 -9.987 11.067 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.707 -12.923 10.991 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.901 -12.134 12.544 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.390 -11.523 11.047 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.553 -13.152 11.671 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.410 -11.543 13.802 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.075 -10.639 13.113 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.530 -12.409 13.455 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.796 -13.608 13.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.818 -13.051 15.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.448 -12.575 15.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.222 -11.413 15.558 1.00 0.00 H new ATOM 505 N TYR A 33 8.196 -9.566 12.488 1.00 0.00 N ATOM 506 CA TYR A 33 9.426 -9.082 13.103 1.00 0.00 C ATOM 507 C TYR A 33 10.178 -10.221 13.787 1.00 0.00 C ATOM 508 O TYR A 33 9.572 -11.181 14.260 1.00 0.00 O ATOM 509 CB TYR A 33 9.115 -7.980 14.117 1.00 0.00 C ATOM 510 CG TYR A 33 7.993 -8.331 15.068 1.00 0.00 C ATOM 511 CD1 TYR A 33 8.144 -9.343 16.009 1.00 0.00 C ATOM 512 CD2 TYR A 33 6.781 -7.653 15.024 1.00 0.00 C ATOM 513 CE1 TYR A 33 7.122 -9.668 16.879 1.00 0.00 C ATOM 514 CE2 TYR A 33 5.754 -7.970 15.891 1.00 0.00 C ATOM 515 CZ TYR A 33 5.929 -8.978 16.816 1.00 0.00 C ATOM 516 OH TYR A 33 4.907 -9.298 17.681 1.00 0.00 O ATOM 0 H TYR A 33 7.342 -9.252 12.949 1.00 0.00 H new ATOM 0 HA TYR A 33 10.059 -8.673 12.316 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.014 -7.764 14.694 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.853 -7.068 13.581 1.00 0.00 H new ATOM 0 HD1 TYR A 33 9.077 -9.885 16.061 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.640 -6.865 14.299 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.256 -10.457 17.604 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.819 -7.432 15.845 1.00 0.00 H new ATOM 0 HH TYR A 33 4.137 -8.718 17.506 1.00 0.00 H new ATOM 526 N GLN A 34 11.501 -10.103 13.834 1.00 0.00 N ATOM 527 CA GLN A 34 12.336 -11.122 14.459 1.00 0.00 C ATOM 528 C GLN A 34 12.067 -11.200 15.959 1.00 0.00 C ATOM 529 O GLN A 34 11.860 -10.180 16.616 1.00 0.00 O ATOM 530 CB GLN A 34 13.815 -10.824 14.209 1.00 0.00 C ATOM 531 CG GLN A 34 14.301 -11.268 12.838 1.00 0.00 C ATOM 532 CD GLN A 34 14.843 -12.684 12.842 1.00 0.00 C ATOM 533 OE1 GLN A 34 14.656 -13.430 13.803 1.00 0.00 O ATOM 534 NE2 GLN A 34 15.518 -13.062 11.763 1.00 0.00 N ATOM 0 H GLN A 34 12.017 -9.313 13.447 1.00 0.00 H new ATOM 0 HA GLN A 34 12.087 -12.085 14.012 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.985 -9.753 14.316 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.412 -11.319 14.975 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.479 -11.200 12.125 1.00 0.00 H new ATOM 0 HG3 GLN A 34 15.079 -10.586 12.494 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.649 -12.410 10.989 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.905 -14.004 11.708 1.00 0.00 H new ATOM 543 N ILE A 35 12.073 -12.417 16.493 1.00 0.00 N ATOM 544 CA ILE A 35 11.831 -12.627 17.915 1.00 0.00 C ATOM 545 C ILE A 35 13.036 -13.277 18.587 1.00 0.00 C ATOM 546 O ILE A 35 13.999 -13.660 17.923 1.00 0.00 O ATOM 547 CB ILE A 35 10.589 -13.507 18.150 1.00 0.00 C ATOM 548 CG1 ILE A 35 10.692 -14.800 17.339 1.00 0.00 C ATOM 549 CG2 ILE A 35 9.324 -12.746 17.785 1.00 0.00 C ATOM 550 CD1 ILE A 35 9.538 -15.751 17.568 1.00 0.00 C ATOM 0 H ILE A 35 12.243 -13.272 15.963 1.00 0.00 H new ATOM 0 HA ILE A 35 11.659 -11.645 18.355 1.00 0.00 H new ATOM 0 HB ILE A 35 10.541 -13.767 19.208 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.742 -14.551 16.279 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.624 -15.305 17.593 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.455 -13.381 17.957 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.247 -11.851 18.402 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.362 -12.459 16.734 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.678 -16.645 16.961 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.500 -16.029 18.621 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.604 -15.264 17.287 1.00 0.00 H new TER 562 ILE A 35