USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 10 ASN : amide:sc= -0.656 K(o=-0.66,f=-6.6!) USER MOD Set 2.2: A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0168 K(o=-0.017,f=-0.67) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -135:sc= 0.35 (180deg=-0.0957) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 107:sc= -0.194 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 13.00 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 45.03 C ATOM 3 C GLY A 1 1.366 -0.775 -2.342 1.00 2.11 C ATOM 4 O GLY A 1 0.189 -0.543 -2.618 1.00 33.13 O ATOM 0 H1 GLY A 1 1.854 0.543 0.716 1.00 13.00 H new ATOM 0 H2 GLY A 1 0.397 0.435 -0.150 1.00 13.00 H new ATOM 0 H3 GLY A 1 1.207 -0.979 0.330 1.00 13.00 H new ATOM 0 HA2 GLY A 1 2.223 1.029 -1.575 1.00 45.03 H new ATOM 0 HA3 GLY A 1 3.058 -0.429 -1.079 1.00 45.03 H new ATOM 8 N CYS A 2 2.087 -1.698 -2.969 1.00 43.14 N ATOM 9 CA CYS A 2 1.525 -2.510 -4.042 1.00 10.31 C ATOM 10 C CYS A 2 2.045 -3.942 -3.970 1.00 21.44 C ATOM 11 O CYS A 2 3.008 -4.230 -3.258 1.00 2.04 O ATOM 12 CB CYS A 2 1.865 -1.900 -5.403 1.00 43.03 C ATOM 13 SG CYS A 2 3.649 -1.654 -5.683 1.00 75.21 S ATOM 0 H CYS A 2 3.063 -1.903 -2.752 1.00 43.14 H new ATOM 0 HA CYS A 2 0.442 -2.529 -3.920 1.00 10.31 H new ATOM 0 HB2 CYS A 2 1.471 -2.546 -6.187 1.00 43.03 H new ATOM 0 HB3 CYS A 2 1.358 -0.940 -5.496 1.00 43.03 H new ATOM 18 N LEU A 3 1.402 -4.837 -4.711 1.00 72.42 N ATOM 19 CA LEU A 3 1.799 -6.241 -4.732 1.00 51.03 C ATOM 20 C LEU A 3 2.809 -6.504 -5.845 1.00 31.55 C ATOM 21 O LEU A 3 2.579 -6.156 -7.002 1.00 14.34 O ATOM 22 CB LEU A 3 0.572 -7.136 -4.919 1.00 43.43 C ATOM 23 CG LEU A 3 -0.596 -6.880 -3.967 1.00 32.45 C ATOM 24 CD1 LEU A 3 -1.909 -7.301 -4.608 1.00 15.32 C ATOM 25 CD2 LEU A 3 -0.383 -7.616 -2.652 1.00 21.42 C ATOM 0 H LEU A 3 0.603 -4.616 -5.306 1.00 72.42 H new ATOM 0 HA LEU A 3 2.269 -6.475 -3.777 1.00 51.03 H new ATOM 0 HB2 LEU A 3 0.214 -7.018 -5.942 1.00 43.43 H new ATOM 0 HB3 LEU A 3 0.884 -8.174 -4.808 1.00 43.43 H new ATOM 0 HG LEU A 3 -0.643 -5.811 -3.759 1.00 32.45 H new ATOM 0 HD11 LEU A 3 -2.729 -7.111 -3.916 1.00 15.32 H new ATOM 0 HD12 LEU A 3 -2.067 -6.730 -5.523 1.00 15.32 H new ATOM 0 HD13 LEU A 3 -1.873 -8.364 -4.846 1.00 15.32 H new ATOM 0 HD21 LEU A 3 -1.224 -7.422 -1.986 1.00 21.42 H new ATOM 0 HD22 LEU A 3 -0.310 -8.687 -2.842 1.00 21.42 H new ATOM 0 HD23 LEU A 3 0.538 -7.267 -2.184 1.00 21.42 H new ATOM 37 N GLY A 4 3.929 -7.125 -5.485 1.00 52.14 N ATOM 38 CA GLY A 4 4.956 -7.427 -6.465 1.00 4.34 C ATOM 39 C GLY A 4 4.454 -8.333 -7.571 1.00 45.02 C ATOM 40 O GLY A 4 3.252 -8.569 -7.691 1.00 71.32 O ATOM 0 H GLY A 4 4.143 -7.424 -4.533 1.00 52.14 H new ATOM 0 HA2 GLY A 4 5.323 -6.497 -6.900 1.00 4.34 H new ATOM 0 HA3 GLY A 4 5.801 -7.902 -5.966 1.00 4.34 H new ATOM 44 N ILE A 5 5.377 -8.840 -8.382 1.00 75.14 N ATOM 45 CA ILE A 5 5.020 -9.725 -9.485 1.00 3.42 C ATOM 46 C ILE A 5 4.855 -11.163 -9.005 1.00 1.54 C ATOM 47 O ILE A 5 5.537 -11.601 -8.078 1.00 61.21 O ATOM 48 CB ILE A 5 6.080 -9.687 -10.602 1.00 12.11 C ATOM 49 CG1 ILE A 5 5.634 -10.545 -11.787 1.00 75.32 C ATOM 50 CG2 ILE A 5 7.424 -10.163 -10.073 1.00 5.22 C ATOM 51 CD1 ILE A 5 6.559 -10.456 -12.980 1.00 62.13 C ATOM 0 H ILE A 5 6.376 -8.654 -8.296 1.00 75.14 H new ATOM 0 HA ILE A 5 4.071 -9.366 -9.883 1.00 3.42 H new ATOM 0 HB ILE A 5 6.190 -8.658 -10.944 1.00 12.11 H new ATOM 0 HG12 ILE A 5 5.566 -11.585 -11.467 1.00 75.32 H new ATOM 0 HG13 ILE A 5 4.633 -10.239 -12.090 1.00 75.32 H new ATOM 0 HG21 ILE A 5 8.163 -10.130 -10.874 1.00 5.22 H new ATOM 0 HG22 ILE A 5 7.744 -9.515 -9.257 1.00 5.22 H new ATOM 0 HG23 ILE A 5 7.330 -11.186 -9.708 1.00 5.22 H new ATOM 0 HD11 ILE A 5 6.181 -11.090 -13.782 1.00 62.13 H new ATOM 0 HD12 ILE A 5 6.608 -9.424 -13.326 1.00 62.13 H new ATOM 0 HD13 ILE A 5 7.556 -10.790 -12.693 1.00 62.13 H new ATOM 63 N PHE A 6 3.946 -11.893 -9.642 1.00 41.31 N ATOM 64 CA PHE A 6 3.691 -13.282 -9.281 1.00 25.41 C ATOM 65 C PHE A 6 3.295 -13.399 -7.812 1.00 53.41 C ATOM 66 O PHE A 6 3.744 -14.301 -7.105 1.00 13.00 O ATOM 67 CB PHE A 6 4.930 -14.138 -9.556 1.00 31.14 C ATOM 68 CG PHE A 6 5.181 -14.378 -11.017 1.00 12.31 C ATOM 69 CD1 PHE A 6 4.190 -14.912 -11.825 1.00 23.20 C ATOM 70 CD2 PHE A 6 6.408 -14.069 -11.582 1.00 75.04 C ATOM 71 CE1 PHE A 6 4.418 -15.134 -13.170 1.00 52.33 C ATOM 72 CE2 PHE A 6 6.641 -14.288 -12.927 1.00 14.10 C ATOM 73 CZ PHE A 6 5.645 -14.822 -13.722 1.00 1.04 C ATOM 0 H PHE A 6 3.373 -11.545 -10.411 1.00 41.31 H new ATOM 0 HA PHE A 6 2.864 -13.644 -9.892 1.00 25.41 H new ATOM 0 HB2 PHE A 6 5.802 -13.650 -9.121 1.00 31.14 H new ATOM 0 HB3 PHE A 6 4.817 -15.098 -9.052 1.00 31.14 H new ATOM 0 HD1 PHE A 6 3.228 -15.158 -11.399 1.00 23.20 H new ATOM 0 HD2 PHE A 6 7.191 -13.653 -10.965 1.00 75.04 H new ATOM 0 HE1 PHE A 6 3.637 -15.551 -13.789 1.00 52.33 H new ATOM 0 HE2 PHE A 6 7.601 -14.042 -13.356 1.00 14.10 H new ATOM 0 HZ PHE A 6 5.826 -14.995 -14.773 1.00 1.04 H new ATOM 83 N LYS A 7 2.450 -12.478 -7.359 1.00 61.41 N ATOM 84 CA LYS A 7 1.991 -12.476 -5.975 1.00 53.23 C ATOM 85 C LYS A 7 0.483 -12.693 -5.902 1.00 54.43 C ATOM 86 O LYS A 7 -0.288 -11.981 -6.546 1.00 10.13 O ATOM 87 CB LYS A 7 2.360 -11.155 -5.296 1.00 62.11 C ATOM 88 CG LYS A 7 3.857 -10.941 -5.157 1.00 45.33 C ATOM 89 CD LYS A 7 4.476 -11.936 -4.190 1.00 61.23 C ATOM 90 CE LYS A 7 5.791 -11.421 -3.625 1.00 51.12 C ATOM 91 NZ LYS A 7 6.297 -12.284 -2.522 1.00 14.10 N ATOM 0 H LYS A 7 2.069 -11.724 -7.930 1.00 61.41 H new ATOM 0 HA LYS A 7 2.484 -13.296 -5.453 1.00 53.23 H new ATOM 0 HB2 LYS A 7 1.935 -10.331 -5.869 1.00 62.11 H new ATOM 0 HB3 LYS A 7 1.904 -11.125 -4.307 1.00 62.11 H new ATOM 0 HG2 LYS A 7 4.331 -11.038 -6.134 1.00 45.33 H new ATOM 0 HG3 LYS A 7 4.049 -9.926 -4.809 1.00 45.33 H new ATOM 0 HD2 LYS A 7 3.781 -12.133 -3.374 1.00 61.23 H new ATOM 0 HD3 LYS A 7 4.645 -12.884 -4.701 1.00 61.23 H new ATOM 0 HE2 LYS A 7 6.535 -11.375 -4.420 1.00 51.12 H new ATOM 0 HE3 LYS A 7 5.655 -10.404 -3.257 1.00 51.12 H new ATOM 0 HZ1 LYS A 7 7.195 -11.899 -2.164 1.00 14.10 H new ATOM 0 HZ2 LYS A 7 5.599 -12.308 -1.752 1.00 14.10 H new ATOM 0 HZ3 LYS A 7 6.452 -13.249 -2.879 1.00 14.10 H new ATOM 105 N ALA A 8 0.069 -13.679 -5.113 1.00 54.24 N ATOM 106 CA ALA A 8 -1.347 -13.986 -4.954 1.00 32.31 C ATOM 107 C ALA A 8 -2.145 -12.735 -4.602 1.00 44.13 C ATOM 108 O ALA A 8 -1.645 -11.838 -3.922 1.00 64.32 O ATOM 109 CB ALA A 8 -1.538 -15.054 -3.886 1.00 55.55 C ATOM 0 H ALA A 8 0.694 -14.279 -4.574 1.00 54.24 H new ATOM 0 HA ALA A 8 -1.720 -14.367 -5.905 1.00 32.31 H new ATOM 0 HB1 ALA A 8 -2.600 -15.274 -3.777 1.00 55.55 H new ATOM 0 HB2 ALA A 8 -1.008 -15.960 -4.179 1.00 55.55 H new ATOM 0 HB3 ALA A 8 -1.143 -14.693 -2.936 1.00 55.55 H new ATOM 115 N CYS A 9 -3.387 -12.680 -5.070 1.00 50.33 N ATOM 116 CA CYS A 9 -4.254 -11.538 -4.807 1.00 0.32 C ATOM 117 C CYS A 9 -5.647 -11.767 -5.386 1.00 41.03 C ATOM 118 O CYS A 9 -5.933 -12.827 -5.941 1.00 22.45 O ATOM 119 CB CYS A 9 -3.647 -10.263 -5.397 1.00 74.33 C ATOM 120 SG CYS A 9 -3.033 -10.453 -7.102 1.00 4.04 S ATOM 0 H CYS A 9 -3.816 -13.414 -5.634 1.00 50.33 H new ATOM 0 HA CYS A 9 -4.344 -11.423 -3.727 1.00 0.32 H new ATOM 0 HB2 CYS A 9 -4.398 -9.473 -5.378 1.00 74.33 H new ATOM 0 HB3 CYS A 9 -2.825 -9.936 -4.760 1.00 74.33 H new ATOM 125 N ASN A 10 -6.509 -10.764 -5.254 1.00 33.44 N ATOM 126 CA ASN A 10 -7.873 -10.856 -5.764 1.00 24.45 C ATOM 127 C ASN A 10 -8.130 -9.789 -6.822 1.00 55.25 C ATOM 128 O ASN A 10 -7.701 -8.641 -6.700 1.00 73.32 O ATOM 129 CB ASN A 10 -8.878 -10.710 -4.620 1.00 12.53 C ATOM 130 CG ASN A 10 -8.874 -9.316 -4.022 1.00 1.04 C ATOM 131 OD1 ASN A 10 -7.880 -8.594 -4.108 1.00 32.42 O ATOM 132 ND2 ASN A 10 -9.988 -8.931 -3.411 1.00 35.23 N ATOM 0 H ASN A 10 -6.288 -9.879 -4.799 1.00 33.44 H new ATOM 0 HA ASN A 10 -7.998 -11.836 -6.224 1.00 24.45 H new ATOM 0 HB2 ASN A 10 -9.878 -10.942 -4.986 1.00 12.53 H new ATOM 0 HB3 ASN A 10 -8.647 -11.437 -3.842 1.00 12.53 H new ATOM 0 HD21 ASN A 10 -10.044 -8.004 -2.989 1.00 35.23 H new ATOM 0 HD22 ASN A 10 -10.788 -9.562 -3.363 1.00 35.23 H new ATOM 139 N PRO A 11 -8.849 -10.173 -7.888 1.00 20.52 N ATOM 140 CA PRO A 11 -9.182 -9.264 -8.988 1.00 65.25 C ATOM 141 C PRO A 11 -10.187 -8.195 -8.574 1.00 24.23 C ATOM 142 O PRO A 11 -10.190 -7.089 -9.115 1.00 23.45 O ATOM 143 CB PRO A 11 -9.792 -10.192 -10.043 1.00 4.54 C ATOM 144 CG PRO A 11 -10.322 -11.348 -9.268 1.00 32.20 C ATOM 145 CD PRO A 11 -9.393 -11.526 -8.099 1.00 44.45 C ATOM 0 HA PRO A 11 -8.310 -8.712 -9.338 1.00 65.25 H new ATOM 0 HB2 PRO A 11 -10.584 -9.692 -10.600 1.00 4.54 H new ATOM 0 HB3 PRO A 11 -9.045 -10.511 -10.769 1.00 4.54 H new ATOM 0 HG2 PRO A 11 -11.341 -11.157 -8.931 1.00 32.20 H new ATOM 0 HG3 PRO A 11 -10.353 -12.248 -9.882 1.00 32.20 H new ATOM 0 HD2 PRO A 11 -9.921 -11.889 -7.217 1.00 44.45 H new ATOM 0 HD3 PRO A 11 -8.605 -12.247 -8.318 1.00 44.45 H new ATOM 153 N SER A 12 -11.038 -8.532 -7.611 1.00 34.14 N ATOM 154 CA SER A 12 -12.051 -7.601 -7.126 1.00 21.54 C ATOM 155 C SER A 12 -11.402 -6.380 -6.482 1.00 52.30 C ATOM 156 O SER A 12 -11.955 -5.281 -6.514 1.00 23.12 O ATOM 157 CB SER A 12 -12.970 -8.295 -6.118 1.00 55.34 C ATOM 158 OG SER A 12 -12.494 -8.128 -4.794 1.00 71.32 O ATOM 0 H SER A 12 -11.047 -9.442 -7.151 1.00 34.14 H new ATOM 0 HA SER A 12 -12.643 -7.269 -7.979 1.00 21.54 H new ATOM 0 HB2 SER A 12 -13.978 -7.888 -6.199 1.00 55.34 H new ATOM 0 HB3 SER A 12 -13.036 -9.357 -6.353 1.00 55.34 H new ATOM 0 HG SER A 12 -13.099 -8.579 -4.169 1.00 71.32 H new ATOM 164 N ASN A 13 -10.225 -6.581 -5.898 1.00 73.20 N ATOM 165 CA ASN A 13 -9.500 -5.497 -5.246 1.00 12.12 C ATOM 166 C ASN A 13 -8.031 -5.501 -5.656 1.00 63.12 C ATOM 167 O ASN A 13 -7.141 -5.367 -4.816 1.00 43.33 O ATOM 168 CB ASN A 13 -9.617 -5.620 -3.725 1.00 41.42 C ATOM 169 CG ASN A 13 -9.436 -4.288 -3.022 1.00 62.21 C ATOM 170 OD1 ASN A 13 -8.600 -3.475 -3.415 1.00 44.33 O ATOM 171 ND2 ASN A 13 -10.221 -4.060 -1.976 1.00 21.34 N ATOM 0 H ASN A 13 -9.753 -7.485 -5.863 1.00 73.20 H new ATOM 0 HA ASN A 13 -9.945 -4.554 -5.563 1.00 12.12 H new ATOM 0 HB2 ASN A 13 -10.593 -6.032 -3.471 1.00 41.42 H new ATOM 0 HB3 ASN A 13 -8.869 -6.324 -3.361 1.00 41.42 H new ATOM 0 HD21 ASN A 13 -10.145 -3.182 -1.463 1.00 21.34 H new ATOM 0 HD22 ASN A 13 -10.900 -4.763 -1.685 1.00 21.34 H new ATOM 178 N ASP A 14 -7.785 -5.656 -6.952 1.00 42.25 N ATOM 179 CA ASP A 14 -6.424 -5.676 -7.475 1.00 44.24 C ATOM 180 C ASP A 14 -5.628 -4.478 -6.966 1.00 30.13 C ATOM 181 O ASP A 14 -6.096 -3.341 -7.023 1.00 63.31 O ATOM 182 CB ASP A 14 -6.442 -5.678 -9.005 1.00 30.13 C ATOM 183 CG ASP A 14 -5.122 -5.229 -9.600 1.00 60.53 C ATOM 184 OD1 ASP A 14 -4.065 -5.603 -9.050 1.00 62.41 O ATOM 185 OD2 ASP A 14 -5.146 -4.505 -10.617 1.00 70.10 O ATOM 0 H ASP A 14 -8.510 -5.770 -7.660 1.00 42.25 H new ATOM 0 HA ASP A 14 -5.940 -6.587 -7.123 1.00 44.24 H new ATOM 0 HB2 ASP A 14 -6.675 -6.681 -9.361 1.00 30.13 H new ATOM 0 HB3 ASP A 14 -7.238 -5.022 -9.357 1.00 30.13 H new ATOM 190 N GLN A 15 -4.425 -4.742 -6.467 1.00 22.42 N ATOM 191 CA GLN A 15 -3.566 -3.686 -5.945 1.00 43.14 C ATOM 192 C GLN A 15 -2.103 -3.958 -6.281 1.00 71.32 C ATOM 193 O GLN A 15 -1.207 -3.651 -5.495 1.00 21.15 O ATOM 194 CB GLN A 15 -3.739 -3.560 -4.431 1.00 4.12 C ATOM 195 CG GLN A 15 -5.029 -2.869 -4.021 1.00 74.22 C ATOM 196 CD GLN A 15 -5.214 -2.822 -2.517 1.00 75.43 C ATOM 197 OE1 GLN A 15 -4.790 -1.874 -1.857 1.00 42.42 O ATOM 198 NE2 GLN A 15 -5.851 -3.849 -1.967 1.00 35.22 N ATOM 0 H GLN A 15 -4.023 -5.678 -6.413 1.00 22.42 H new ATOM 0 HA GLN A 15 -3.860 -2.748 -6.416 1.00 43.14 H new ATOM 0 HB2 GLN A 15 -3.713 -4.555 -3.987 1.00 4.12 H new ATOM 0 HB3 GLN A 15 -2.894 -3.006 -4.022 1.00 4.12 H new ATOM 0 HG2 GLN A 15 -5.034 -1.853 -4.416 1.00 74.22 H new ATOM 0 HG3 GLN A 15 -5.874 -3.390 -4.471 1.00 74.22 H new ATOM 0 HE21 GLN A 15 -6.186 -4.614 -2.552 1.00 35.22 H new ATOM 0 HE22 GLN A 15 -6.006 -3.873 -0.959 1.00 35.22 H new ATOM 207 N CYS A 16 -1.868 -4.537 -7.454 1.00 73.00 N ATOM 208 CA CYS A 16 -0.515 -4.852 -7.895 1.00 22.14 C ATOM 209 C CYS A 16 0.276 -3.578 -8.175 1.00 5.31 C ATOM 210 O CYS A 16 -0.274 -2.476 -8.161 1.00 23.24 O ATOM 211 CB CYS A 16 -0.555 -5.727 -9.149 1.00 40.11 C ATOM 212 SG CYS A 16 -1.472 -7.287 -8.939 1.00 24.15 S ATOM 0 H CYS A 16 -2.598 -4.798 -8.117 1.00 73.00 H new ATOM 0 HA CYS A 16 -0.017 -5.399 -7.095 1.00 22.14 H new ATOM 0 HB2 CYS A 16 -1.008 -5.158 -9.961 1.00 40.11 H new ATOM 0 HB3 CYS A 16 0.467 -5.957 -9.451 1.00 40.11 H new ATOM 217 N CYS A 17 1.571 -3.736 -8.430 1.00 51.11 N ATOM 218 CA CYS A 17 2.439 -2.600 -8.714 1.00 3.32 C ATOM 219 C CYS A 17 2.275 -2.137 -10.159 1.00 12.25 C ATOM 220 O CYS A 17 3.008 -2.569 -11.048 1.00 51.23 O ATOM 221 CB CYS A 17 3.900 -2.969 -8.448 1.00 41.31 C ATOM 222 SG CYS A 17 4.283 -3.272 -6.693 1.00 61.12 S ATOM 0 H CYS A 17 2.042 -4.641 -8.446 1.00 51.11 H new ATOM 0 HA CYS A 17 2.152 -1.781 -8.054 1.00 3.32 H new ATOM 0 HB2 CYS A 17 4.148 -3.861 -9.022 1.00 41.31 H new ATOM 0 HB3 CYS A 17 4.539 -2.166 -8.815 1.00 41.31 H new ATOM 227 N LYS A 18 1.307 -1.255 -10.385 1.00 2.44 N ATOM 228 CA LYS A 18 1.046 -0.730 -11.720 1.00 32.51 C ATOM 229 C LYS A 18 2.328 -0.209 -12.360 1.00 61.15 C ATOM 230 O LYS A 18 2.501 -0.286 -13.577 1.00 3.02 O ATOM 231 CB LYS A 18 0.004 0.388 -11.656 1.00 14.41 C ATOM 232 CG LYS A 18 -1.347 -0.068 -11.131 1.00 41.44 C ATOM 233 CD LYS A 18 -1.909 -1.212 -11.958 1.00 41.24 C ATOM 234 CE LYS A 18 -3.304 -1.601 -11.495 1.00 73.50 C ATOM 235 NZ LYS A 18 -3.302 -2.111 -10.096 1.00 0.44 N ATOM 0 H LYS A 18 0.690 -0.889 -9.660 1.00 2.44 H new ATOM 0 HA LYS A 18 0.659 -1.544 -12.334 1.00 32.51 H new ATOM 0 HB2 LYS A 18 0.381 1.188 -11.019 1.00 14.41 H new ATOM 0 HB3 LYS A 18 -0.126 0.809 -12.653 1.00 14.41 H new ATOM 0 HG2 LYS A 18 -1.247 -0.383 -10.092 1.00 41.44 H new ATOM 0 HG3 LYS A 18 -2.045 0.769 -11.144 1.00 41.44 H new ATOM 0 HD2 LYS A 18 -1.941 -0.922 -13.008 1.00 41.24 H new ATOM 0 HD3 LYS A 18 -1.247 -2.075 -11.885 1.00 41.24 H new ATOM 0 HE2 LYS A 18 -3.964 -0.737 -11.565 1.00 73.50 H new ATOM 0 HE3 LYS A 18 -3.707 -2.365 -12.160 1.00 73.50 H new ATOM 0 HZ1 LYS A 18 -3.886 -2.970 -10.039 1.00 0.44 H new ATOM 0 HZ2 LYS A 18 -2.328 -2.335 -9.809 1.00 0.44 H new ATOM 0 HZ3 LYS A 18 -3.691 -1.385 -9.461 1.00 0.44 H new ATOM 249 N SER A 19 3.225 0.320 -11.534 1.00 34.21 N ATOM 250 CA SER A 19 4.490 0.856 -12.020 1.00 64.25 C ATOM 251 C SER A 19 5.239 -0.185 -12.847 1.00 23.20 C ATOM 252 O SER A 19 5.904 0.146 -13.828 1.00 42.54 O ATOM 253 CB SER A 19 5.359 1.314 -10.847 1.00 63.44 C ATOM 254 OG SER A 19 6.375 2.201 -11.281 1.00 41.51 O ATOM 0 H SER A 19 3.098 0.389 -10.524 1.00 34.21 H new ATOM 0 HA SER A 19 4.272 1.713 -12.657 1.00 64.25 H new ATOM 0 HB2 SER A 19 4.737 1.807 -10.100 1.00 63.44 H new ATOM 0 HB3 SER A 19 5.810 0.447 -10.365 1.00 63.44 H new ATOM 0 HG SER A 19 6.915 2.480 -10.513 1.00 41.51 H new ATOM 260 N SER A 20 5.126 -1.446 -12.442 1.00 60.12 N ATOM 261 CA SER A 20 5.795 -2.537 -13.142 1.00 11.31 C ATOM 262 C SER A 20 4.834 -3.240 -14.096 1.00 23.10 C ATOM 263 O SER A 20 5.044 -4.395 -14.468 1.00 43.32 O ATOM 264 CB SER A 20 6.363 -3.542 -12.139 1.00 32.34 C ATOM 265 OG SER A 20 7.718 -3.255 -11.840 1.00 31.00 O ATOM 0 H SER A 20 4.578 -1.738 -11.633 1.00 60.12 H new ATOM 0 HA SER A 20 6.614 -2.115 -13.725 1.00 11.31 H new ATOM 0 HB2 SER A 20 5.773 -3.519 -11.223 1.00 32.34 H new ATOM 0 HB3 SER A 20 6.283 -4.550 -12.545 1.00 32.34 H new ATOM 0 HG SER A 20 8.057 -3.911 -11.195 1.00 31.00 H new ATOM 271 N LYS A 21 3.779 -2.535 -14.488 1.00 75.34 N ATOM 272 CA LYS A 21 2.784 -3.089 -15.400 1.00 63.00 C ATOM 273 C LYS A 21 2.314 -4.460 -14.925 1.00 24.20 C ATOM 274 O LYS A 21 2.467 -5.459 -15.630 1.00 54.42 O ATOM 275 CB LYS A 21 3.362 -3.197 -16.813 1.00 22.51 C ATOM 276 CG LYS A 21 2.322 -3.041 -17.909 1.00 24.10 C ATOM 277 CD LYS A 21 1.553 -4.332 -18.136 1.00 44.34 C ATOM 278 CE LYS A 21 0.313 -4.403 -17.259 1.00 71.42 C ATOM 279 NZ LYS A 21 -0.933 -4.164 -18.039 1.00 63.14 N ATOM 0 H LYS A 21 3.590 -1.578 -14.189 1.00 75.34 H new ATOM 0 HA LYS A 21 1.927 -2.416 -15.415 1.00 63.00 H new ATOM 0 HB2 LYS A 21 4.130 -2.435 -16.942 1.00 22.51 H new ATOM 0 HB3 LYS A 21 3.852 -4.165 -16.923 1.00 22.51 H new ATOM 0 HG2 LYS A 21 1.627 -2.245 -17.642 1.00 24.10 H new ATOM 0 HG3 LYS A 21 2.811 -2.740 -18.836 1.00 24.10 H new ATOM 0 HD2 LYS A 21 1.263 -4.405 -19.184 1.00 44.34 H new ATOM 0 HD3 LYS A 21 2.199 -5.184 -17.924 1.00 44.34 H new ATOM 0 HE2 LYS A 21 0.261 -5.382 -16.782 1.00 71.42 H new ATOM 0 HE3 LYS A 21 0.390 -3.664 -16.461 1.00 71.42 H new ATOM 0 HZ1 LYS A 21 -1.756 -4.221 -17.405 1.00 63.14 H new ATOM 0 HZ2 LYS A 21 -0.895 -3.220 -18.473 1.00 63.14 H new ATOM 0 HZ3 LYS A 21 -1.020 -4.884 -18.784 1.00 63.14 H new ATOM 293 N LEU A 22 1.742 -4.502 -13.727 1.00 0.00 N ATOM 294 CA LEU A 22 1.248 -5.751 -13.158 1.00 70.22 C ATOM 295 C LEU A 22 -0.232 -5.641 -12.806 1.00 20.34 C ATOM 296 O LEU A 22 -0.691 -4.606 -12.322 1.00 63.14 O ATOM 297 CB LEU A 22 2.055 -6.121 -11.912 1.00 74.43 C ATOM 298 CG LEU A 22 3.565 -6.256 -12.106 1.00 44.32 C ATOM 299 CD1 LEU A 22 4.308 -5.759 -10.875 1.00 52.25 C ATOM 300 CD2 LEU A 22 3.938 -7.700 -12.409 1.00 51.33 C ATOM 0 H LEU A 22 1.609 -3.685 -13.131 1.00 0.00 H new ATOM 0 HA LEU A 22 1.367 -6.535 -13.906 1.00 70.22 H new ATOM 0 HB2 LEU A 22 1.873 -5.365 -11.148 1.00 74.43 H new ATOM 0 HB3 LEU A 22 1.673 -7.065 -11.523 1.00 74.43 H new ATOM 0 HG LEU A 22 3.859 -5.640 -12.956 1.00 44.32 H new ATOM 0 HD11 LEU A 22 5.382 -5.863 -11.031 1.00 52.25 H new ATOM 0 HD12 LEU A 22 4.066 -4.710 -10.703 1.00 52.25 H new ATOM 0 HD13 LEU A 22 4.009 -6.347 -10.007 1.00 52.25 H new ATOM 0 HD21 LEU A 22 5.017 -7.776 -12.544 1.00 51.33 H new ATOM 0 HD22 LEU A 22 3.630 -8.337 -11.580 1.00 51.33 H new ATOM 0 HD23 LEU A 22 3.435 -8.022 -13.320 1.00 51.33 H new ATOM 312 N VAL A 23 -0.975 -6.717 -13.049 1.00 5.31 N ATOM 313 CA VAL A 23 -2.402 -6.743 -12.754 1.00 52.41 C ATOM 314 C VAL A 23 -2.845 -8.130 -12.304 1.00 32.12 C ATOM 315 O VAL A 23 -2.444 -9.140 -12.882 1.00 64.40 O ATOM 316 CB VAL A 23 -3.236 -6.322 -13.979 1.00 1.10 C ATOM 317 CG1 VAL A 23 -4.722 -6.388 -13.662 1.00 10.23 C ATOM 318 CG2 VAL A 23 -2.842 -4.926 -14.437 1.00 44.03 C ATOM 0 H VAL A 23 -0.611 -7.582 -13.449 1.00 5.31 H new ATOM 0 HA VAL A 23 -2.571 -6.031 -11.946 1.00 52.41 H new ATOM 0 HB VAL A 23 -3.031 -7.018 -14.792 1.00 1.10 H new ATOM 0 HG11 VAL A 23 -5.295 -6.087 -14.539 1.00 10.23 H new ATOM 0 HG12 VAL A 23 -4.990 -7.408 -13.386 1.00 10.23 H new ATOM 0 HG13 VAL A 23 -4.947 -5.716 -12.834 1.00 10.23 H new ATOM 0 HG21 VAL A 23 -3.441 -4.645 -15.303 1.00 44.03 H new ATOM 0 HG22 VAL A 23 -3.016 -4.215 -13.629 1.00 44.03 H new ATOM 0 HG23 VAL A 23 -1.786 -4.916 -14.707 1.00 44.03 H new ATOM 328 N CYS A 24 -3.676 -8.172 -11.268 1.00 34.51 N ATOM 329 CA CYS A 24 -4.175 -9.436 -10.738 1.00 54.24 C ATOM 330 C CYS A 24 -5.237 -10.030 -11.660 1.00 21.35 C ATOM 331 O CYS A 24 -6.335 -9.489 -11.788 1.00 71.45 O ATOM 332 CB CYS A 24 -4.756 -9.232 -9.338 1.00 12.03 C ATOM 333 SG CYS A 24 -4.644 -10.700 -8.266 1.00 34.55 S ATOM 0 H CYS A 24 -4.018 -7.345 -10.778 1.00 34.51 H new ATOM 0 HA CYS A 24 -3.339 -10.133 -10.679 1.00 54.24 H new ATOM 0 HB2 CYS A 24 -4.235 -8.404 -8.857 1.00 12.03 H new ATOM 0 HB3 CYS A 24 -5.802 -8.941 -9.429 1.00 12.03 H new ATOM 338 N SER A 25 -4.901 -11.147 -12.298 1.00 3.33 N ATOM 339 CA SER A 25 -5.823 -11.813 -13.210 1.00 21.34 C ATOM 340 C SER A 25 -6.922 -12.537 -12.438 1.00 11.03 C ATOM 341 O SER A 25 -6.710 -12.991 -11.313 1.00 70.33 O ATOM 342 CB SER A 25 -5.068 -12.806 -14.096 1.00 54.13 C ATOM 343 OG SER A 25 -5.686 -12.928 -15.366 1.00 15.34 O ATOM 0 H SER A 25 -3.997 -11.609 -12.200 1.00 3.33 H new ATOM 0 HA SER A 25 -6.285 -11.053 -13.840 1.00 21.34 H new ATOM 0 HB2 SER A 25 -4.036 -12.476 -14.220 1.00 54.13 H new ATOM 0 HB3 SER A 25 -5.035 -13.781 -13.609 1.00 54.13 H new ATOM 0 HG SER A 25 -5.184 -13.567 -15.914 1.00 15.34 H new ATOM 349 N ARG A 26 -8.097 -12.640 -13.050 1.00 40.13 N ATOM 350 CA ARG A 26 -9.231 -13.307 -12.421 1.00 43.24 C ATOM 351 C ARG A 26 -9.081 -14.823 -12.499 1.00 60.34 C ATOM 352 O ARG A 26 -9.604 -15.554 -11.658 1.00 74.10 O ATOM 353 CB ARG A 26 -10.538 -12.878 -13.091 1.00 4.54 C ATOM 354 CG ARG A 26 -10.634 -11.380 -13.334 1.00 60.43 C ATOM 355 CD ARG A 26 -12.081 -10.916 -13.386 1.00 72.43 C ATOM 356 NE ARG A 26 -12.441 -10.391 -14.701 1.00 23.32 N ATOM 357 CZ ARG A 26 -12.754 -11.159 -15.738 1.00 72.33 C ATOM 358 NH1 ARG A 26 -12.753 -12.479 -15.615 1.00 24.33 N ATOM 359 NH2 ARG A 26 -13.071 -10.607 -16.903 1.00 5.14 N ATOM 0 H ARG A 26 -8.289 -12.270 -13.981 1.00 40.13 H new ATOM 0 HA ARG A 26 -9.256 -13.015 -11.371 1.00 43.24 H new ATOM 0 HB2 ARG A 26 -10.637 -13.399 -14.043 1.00 4.54 H new ATOM 0 HB3 ARG A 26 -11.376 -13.191 -12.468 1.00 4.54 H new ATOM 0 HG2 ARG A 26 -10.108 -10.847 -12.542 1.00 60.43 H new ATOM 0 HG3 ARG A 26 -10.137 -11.130 -14.271 1.00 60.43 H new ATOM 0 HD2 ARG A 26 -12.738 -11.749 -13.136 1.00 72.43 H new ATOM 0 HD3 ARG A 26 -12.242 -10.146 -12.632 1.00 72.43 H new ATOM 0 HE ARG A 26 -12.453 -9.379 -14.830 1.00 23.32 H new ATOM 0 HH11 ARG A 26 -12.511 -12.908 -14.722 1.00 24.33 H new ATOM 0 HH12 ARG A 26 -12.994 -13.066 -16.414 1.00 24.33 H new ATOM 0 HH21 ARG A 26 -13.074 -9.592 -17.002 1.00 5.14 H new ATOM 0 HH22 ARG A 26 -13.311 -11.198 -17.699 1.00 5.14 H new ATOM 373 N LYS A 27 -8.363 -15.290 -13.515 1.00 73.34 N ATOM 374 CA LYS A 27 -8.143 -16.719 -13.704 1.00 72.25 C ATOM 375 C LYS A 27 -6.880 -17.175 -12.982 1.00 65.30 C ATOM 376 O LYS A 27 -6.845 -18.254 -12.389 1.00 73.33 O ATOM 377 CB LYS A 27 -8.037 -17.047 -15.196 1.00 14.04 C ATOM 378 CG LYS A 27 -7.886 -18.531 -15.483 1.00 14.21 C ATOM 379 CD LYS A 27 -9.236 -19.200 -15.685 1.00 3.31 C ATOM 380 CE LYS A 27 -9.752 -19.814 -14.393 1.00 33.01 C ATOM 381 NZ LYS A 27 -9.271 -21.212 -14.212 1.00 51.31 N ATOM 0 H LYS A 27 -7.923 -14.699 -14.221 1.00 73.34 H new ATOM 0 HA LYS A 27 -8.995 -17.251 -13.281 1.00 72.25 H new ATOM 0 HB2 LYS A 27 -8.926 -16.676 -15.705 1.00 14.04 H new ATOM 0 HB3 LYS A 27 -7.183 -16.515 -15.617 1.00 14.04 H new ATOM 0 HG2 LYS A 27 -7.273 -18.670 -16.374 1.00 14.21 H new ATOM 0 HG3 LYS A 27 -7.361 -19.011 -14.657 1.00 14.21 H new ATOM 0 HD2 LYS A 27 -9.955 -18.468 -16.054 1.00 3.31 H new ATOM 0 HD3 LYS A 27 -9.149 -19.974 -16.448 1.00 3.31 H new ATOM 0 HE2 LYS A 27 -9.429 -19.206 -13.548 1.00 33.01 H new ATOM 0 HE3 LYS A 27 -10.842 -19.802 -14.395 1.00 33.01 H new ATOM 0 HZ1 LYS A 27 -9.644 -21.595 -13.320 1.00 51.31 H new ATOM 0 HZ2 LYS A 27 -9.601 -21.798 -15.005 1.00 51.31 H new ATOM 0 HZ3 LYS A 27 -8.231 -21.221 -14.184 1.00 51.31 H new ATOM 395 N THR A 28 -5.842 -16.346 -13.034 1.00 24.13 N ATOM 396 CA THR A 28 -4.576 -16.664 -12.384 1.00 72.03 C ATOM 397 C THR A 28 -4.598 -16.267 -10.913 1.00 14.33 C ATOM 398 O THR A 28 -3.950 -16.899 -10.079 1.00 61.54 O ATOM 399 CB THR A 28 -3.396 -15.957 -13.077 1.00 61.53 C ATOM 400 OG1 THR A 28 -3.233 -14.638 -12.544 1.00 73.44 O ATOM 401 CG2 THR A 28 -3.619 -15.879 -14.580 1.00 52.20 C ATOM 0 H THR A 28 -5.853 -15.449 -13.520 1.00 24.13 H new ATOM 0 HA THR A 28 -4.442 -17.743 -12.464 1.00 72.03 H new ATOM 0 HB THR A 28 -2.493 -16.538 -12.890 1.00 61.53 H new ATOM 0 HG1 THR A 28 -2.434 -14.610 -11.978 1.00 73.44 H new ATOM 0 HG21 THR A 28 -2.773 -15.376 -15.048 1.00 52.20 H new ATOM 0 HG22 THR A 28 -3.712 -16.886 -14.987 1.00 52.20 H new ATOM 0 HG23 THR A 28 -4.532 -15.319 -14.784 1.00 52.20 H new ATOM 409 N ARG A 29 -5.349 -15.216 -10.600 1.00 0.53 N ATOM 410 CA ARG A 29 -5.455 -14.734 -9.228 1.00 1.22 C ATOM 411 C ARG A 29 -4.095 -14.284 -8.703 1.00 5.01 C ATOM 412 O ARG A 29 -3.809 -14.400 -7.511 1.00 51.31 O ATOM 413 CB ARG A 29 -6.026 -15.827 -8.323 1.00 72.44 C ATOM 414 CG ARG A 29 -7.519 -16.047 -8.503 1.00 35.45 C ATOM 415 CD ARG A 29 -8.040 -17.126 -7.566 1.00 21.15 C ATOM 416 NE ARG A 29 -7.677 -18.466 -8.018 1.00 62.23 N ATOM 417 CZ ARG A 29 -7.713 -19.541 -7.238 1.00 12.41 C ATOM 418 NH1 ARG A 29 -8.095 -19.433 -5.973 1.00 1.52 N ATOM 419 NH2 ARG A 29 -7.368 -20.726 -7.723 1.00 23.40 N ATOM 0 H ARG A 29 -5.893 -14.682 -11.278 1.00 0.53 H new ATOM 0 HA ARG A 29 -6.129 -13.878 -9.222 1.00 1.22 H new ATOM 0 HB2 ARG A 29 -5.503 -16.762 -8.522 1.00 72.44 H new ATOM 0 HB3 ARG A 29 -5.828 -15.566 -7.283 1.00 72.44 H new ATOM 0 HG2 ARG A 29 -8.051 -15.114 -8.316 1.00 35.45 H new ATOM 0 HG3 ARG A 29 -7.724 -16.330 -9.535 1.00 35.45 H new ATOM 0 HD2 ARG A 29 -7.641 -16.961 -6.565 1.00 21.15 H new ATOM 0 HD3 ARG A 29 -9.125 -17.050 -7.493 1.00 21.15 H new ATOM 0 HE ARG A 29 -7.379 -18.583 -8.986 1.00 62.23 H new ATOM 0 HH11 ARG A 29 -8.362 -18.523 -5.597 1.00 1.52 H new ATOM 0 HH12 ARG A 29 -8.122 -20.260 -5.376 1.00 1.52 H new ATOM 0 HH21 ARG A 29 -7.075 -20.813 -8.696 1.00 23.40 H new ATOM 0 HH22 ARG A 29 -7.396 -21.550 -7.123 1.00 23.40 H new ATOM 433 N TRP A 30 -3.260 -13.772 -9.600 1.00 52.13 N ATOM 434 CA TRP A 30 -1.930 -13.305 -9.228 1.00 25.34 C ATOM 435 C TRP A 30 -1.437 -12.236 -10.196 1.00 44.10 C ATOM 436 O TRP A 30 -1.805 -12.231 -11.371 1.00 11.20 O ATOM 437 CB TRP A 30 -0.946 -14.476 -9.198 1.00 21.24 C ATOM 438 CG TRP A 30 -0.477 -14.893 -10.559 1.00 4.33 C ATOM 439 CD1 TRP A 30 0.210 -14.128 -11.458 1.00 63.32 C ATOM 440 CD2 TRP A 30 -0.662 -16.172 -11.175 1.00 3.22 C ATOM 441 NE1 TRP A 30 0.463 -14.855 -12.596 1.00 63.35 N ATOM 442 CE2 TRP A 30 -0.060 -16.112 -12.447 1.00 75.13 C ATOM 443 CE3 TRP A 30 -1.275 -17.362 -10.775 1.00 24.12 C ATOM 444 CZ2 TRP A 30 -0.057 -17.197 -13.320 1.00 50.12 C ATOM 445 CZ3 TRP A 30 -1.271 -18.438 -11.642 1.00 43.33 C ATOM 446 CH2 TRP A 30 -0.665 -18.350 -12.903 1.00 4.23 C ATOM 0 H TRP A 30 -3.481 -13.670 -10.591 1.00 52.13 H new ATOM 0 HA TRP A 30 -1.992 -12.866 -8.232 1.00 25.34 H new ATOM 0 HB2 TRP A 30 -0.082 -14.200 -8.593 1.00 21.24 H new ATOM 0 HB3 TRP A 30 -1.420 -15.327 -8.708 1.00 21.24 H new ATOM 0 HD1 TRP A 30 0.510 -13.103 -11.298 1.00 63.32 H new ATOM 0 HE1 TRP A 30 0.960 -14.514 -13.419 1.00 63.35 H new ATOM 0 HE3 TRP A 30 -1.744 -17.440 -9.805 1.00 24.12 H new ATOM 0 HZ2 TRP A 30 0.409 -17.131 -14.292 1.00 50.12 H new ATOM 0 HZ3 TRP A 30 -1.743 -19.362 -11.343 1.00 43.33 H new ATOM 0 HH2 TRP A 30 -0.678 -19.209 -13.558 1.00 4.23 H new ATOM 457 N CYS A 31 -0.601 -11.331 -9.697 1.00 33.14 N ATOM 458 CA CYS A 31 -0.058 -10.256 -10.518 1.00 3.05 C ATOM 459 C CYS A 31 0.821 -10.815 -11.633 1.00 52.43 C ATOM 460 O CYS A 31 1.892 -11.365 -11.379 1.00 23.22 O ATOM 461 CB CYS A 31 0.751 -9.286 -9.654 1.00 40.21 C ATOM 462 SG CYS A 31 -0.161 -8.628 -8.221 1.00 74.01 S ATOM 0 H CYS A 31 -0.285 -11.321 -8.727 1.00 33.14 H new ATOM 0 HA CYS A 31 -0.892 -9.720 -10.971 1.00 3.05 H new ATOM 0 HB2 CYS A 31 1.647 -9.794 -9.298 1.00 40.21 H new ATOM 0 HB3 CYS A 31 1.082 -8.453 -10.274 1.00 40.21 H new ATOM 467 N LYS A 32 0.360 -10.669 -12.871 1.00 12.22 N ATOM 468 CA LYS A 32 1.102 -11.156 -14.027 1.00 24.40 C ATOM 469 C LYS A 32 1.754 -10.002 -14.782 1.00 14.12 C ATOM 470 O LYS A 32 1.235 -8.885 -14.794 1.00 62.51 O ATOM 471 CB LYS A 32 0.175 -11.934 -14.964 1.00 1.41 C ATOM 472 CG LYS A 32 -0.744 -11.045 -15.784 1.00 71.44 C ATOM 473 CD LYS A 32 -1.978 -11.799 -16.250 1.00 74.41 C ATOM 474 CE LYS A 32 -2.452 -11.308 -17.609 1.00 52.42 C ATOM 475 NZ LYS A 32 -3.227 -12.350 -18.337 1.00 35.21 N ATOM 0 H LYS A 32 -0.525 -10.217 -13.099 1.00 12.22 H new ATOM 0 HA LYS A 32 1.887 -11.821 -13.668 1.00 24.40 H new ATOM 0 HB2 LYS A 32 0.779 -12.539 -15.640 1.00 1.41 H new ATOM 0 HB3 LYS A 32 -0.430 -12.622 -14.374 1.00 1.41 H new ATOM 0 HG2 LYS A 32 -1.046 -10.184 -15.188 1.00 71.44 H new ATOM 0 HG3 LYS A 32 -0.203 -10.660 -16.649 1.00 71.44 H new ATOM 0 HD2 LYS A 32 -1.755 -12.865 -16.305 1.00 74.41 H new ATOM 0 HD3 LYS A 32 -2.777 -11.677 -15.519 1.00 74.41 H new ATOM 0 HE2 LYS A 32 -3.071 -10.420 -17.479 1.00 52.42 H new ATOM 0 HE3 LYS A 32 -1.591 -11.011 -18.208 1.00 52.42 H new ATOM 0 HZ1 LYS A 32 -3.532 -11.976 -19.258 1.00 35.21 H new ATOM 0 HZ2 LYS A 32 -2.629 -13.188 -18.484 1.00 35.21 H new ATOM 0 HZ3 LYS A 32 -4.063 -12.615 -17.778 1.00 35.21 H new ATOM 489 N TRP A 33 2.890 -10.279 -15.410 1.00 42.34 N ATOM 490 CA TRP A 33 3.611 -9.263 -16.169 1.00 11.40 C ATOM 491 C TRP A 33 3.094 -9.184 -17.601 1.00 53.51 C ATOM 492 O TRP A 33 3.303 -10.099 -18.397 1.00 4.33 O ATOM 493 CB TRP A 33 5.110 -9.566 -16.171 1.00 41.00 C ATOM 494 CG TRP A 33 5.965 -8.338 -16.258 1.00 54.33 C ATOM 495 CD1 TRP A 33 5.590 -7.110 -16.726 1.00 22.42 C ATOM 496 CD2 TRP A 33 7.337 -8.219 -15.869 1.00 63.51 C ATOM 497 NE1 TRP A 33 6.648 -6.236 -16.651 1.00 33.22 N ATOM 498 CE2 TRP A 33 7.731 -6.892 -16.128 1.00 13.21 C ATOM 499 CE3 TRP A 33 8.272 -9.105 -15.325 1.00 53.14 C ATOM 500 CZ2 TRP A 33 9.018 -6.432 -15.862 1.00 52.02 C ATOM 501 CZ3 TRP A 33 9.549 -8.647 -15.063 1.00 12.05 C ATOM 502 CH2 TRP A 33 9.912 -7.320 -15.330 1.00 62.41 C ATOM 0 H TRP A 33 3.332 -11.198 -15.409 1.00 42.34 H new ATOM 0 HA TRP A 33 3.443 -8.299 -15.688 1.00 11.40 H new ATOM 0 HB2 TRP A 33 5.364 -10.113 -15.263 1.00 41.00 H new ATOM 0 HB3 TRP A 33 5.340 -10.220 -17.012 1.00 41.00 H new ATOM 0 HD1 TRP A 33 4.607 -6.863 -17.100 1.00 22.42 H new ATOM 0 HE1 TRP A 33 6.630 -5.257 -16.938 1.00 33.22 H new ATOM 0 HE3 TRP A 33 8.001 -10.129 -15.113 1.00 53.14 H new ATOM 0 HZ2 TRP A 33 9.300 -5.410 -16.068 1.00 52.02 H new ATOM 0 HZ3 TRP A 33 10.280 -9.323 -14.645 1.00 12.05 H new ATOM 0 HH2 TRP A 33 10.918 -6.992 -15.111 1.00 62.41 H new ATOM 513 N GLN A 34 2.418 -8.085 -17.922 1.00 0.11 N ATOM 514 CA GLN A 34 1.871 -7.888 -19.259 1.00 70.32 C ATOM 515 C GLN A 34 2.803 -7.030 -20.108 1.00 11.32 C ATOM 516 O GLN A 34 3.433 -6.099 -19.606 1.00 3.42 O ATOM 517 CB GLN A 34 0.490 -7.236 -19.177 1.00 40.53 C ATOM 518 CG GLN A 34 -0.654 -8.195 -19.463 1.00 12.31 C ATOM 519 CD GLN A 34 -0.827 -8.473 -20.943 1.00 62.10 C ATOM 520 OE1 GLN A 34 -1.382 -7.657 -21.679 1.00 75.43 O ATOM 521 NE2 GLN A 34 -0.350 -9.630 -21.388 1.00 10.04 N ATOM 0 H GLN A 34 2.236 -7.318 -17.275 1.00 0.11 H new ATOM 0 HA GLN A 34 1.776 -8.865 -19.733 1.00 70.32 H new ATOM 0 HB2 GLN A 34 0.357 -6.811 -18.182 1.00 40.53 H new ATOM 0 HB3 GLN A 34 0.445 -6.409 -19.886 1.00 40.53 H new ATOM 0 HG2 GLN A 34 -0.475 -9.134 -18.939 1.00 12.31 H new ATOM 0 HG3 GLN A 34 -1.580 -7.779 -19.065 1.00 12.31 H new ATOM 0 HE21 GLN A 34 0.103 -10.277 -20.743 1.00 10.04 H new ATOM 0 HE22 GLN A 34 -0.437 -9.871 -22.375 1.00 10.04 H new ATOM 530 N ILE A 35 2.885 -7.349 -21.395 1.00 22.01 N ATOM 531 CA ILE A 35 3.740 -6.606 -22.313 1.00 32.03 C ATOM 532 C ILE A 35 3.068 -5.314 -22.765 1.00 40.02 C ATOM 533 O ILE A 35 1.925 -5.036 -22.403 1.00 33.21 O ATOM 534 CB ILE A 35 4.099 -7.446 -23.552 1.00 70.25 C ATOM 535 CG1 ILE A 35 5.141 -6.718 -24.404 1.00 72.24 C ATOM 536 CG2 ILE A 35 2.851 -7.743 -24.371 1.00 3.12 C ATOM 537 CD1 ILE A 35 6.554 -6.860 -23.883 1.00 73.42 C ATOM 0 H ILE A 35 2.370 -8.117 -21.826 1.00 22.01 H new ATOM 0 HA ILE A 35 4.654 -6.367 -21.770 1.00 32.03 H new ATOM 0 HB ILE A 35 4.525 -8.393 -23.220 1.00 70.25 H new ATOM 0 HG12 ILE A 35 5.098 -7.102 -25.423 1.00 72.24 H new ATOM 0 HG13 ILE A 35 4.885 -5.660 -24.451 1.00 72.24 H new ATOM 0 HG21 ILE A 35 3.121 -8.338 -25.244 1.00 3.12 H new ATOM 0 HG22 ILE A 35 2.139 -8.298 -23.760 1.00 3.12 H new ATOM 0 HG23 ILE A 35 2.398 -6.807 -24.696 1.00 3.12 H new ATOM 0 HD11 ILE A 35 7.239 -6.319 -24.536 1.00 73.42 H new ATOM 0 HD12 ILE A 35 6.613 -6.449 -22.875 1.00 73.42 H new ATOM 0 HD13 ILE A 35 6.830 -7.914 -23.862 1.00 73.42 H new TER 549 ILE A 35