USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 245 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 CYS N :NH3+ -135:sc= 0.116 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.3) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 13 SER OG : rot 112:sc= -0.0047 USER MOD Single : A 14 GLN : amide:sc= -1.15! K(o=-1.2!,f=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 170:sc= -0.328 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.692 K(o=-0.69,f=-0.071) USER MOD Single : A 24 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0505) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot -112:sc= 0.0235 USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= -0.0183 (180deg=-0.162) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 5.053 -6.190 0.105 1.00 0.00 N ATOM 2 CA CYS A 1 4.187 -7.218 -0.507 1.00 0.00 C ATOM 3 C CYS A 1 2.745 -7.008 -0.054 1.00 0.00 C ATOM 4 O CYS A 1 2.379 -5.912 0.371 1.00 0.00 O ATOM 5 CB CYS A 1 4.708 -8.593 -0.074 1.00 0.00 C ATOM 6 SG CYS A 1 3.997 -10.007 -0.986 1.00 0.00 S ATOM 0 H1 CYS A 1 5.697 -5.805 -0.615 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.464 -5.423 0.488 1.00 0.00 H new ATOM 0 H3 CYS A 1 5.609 -6.617 0.874 1.00 0.00 H new ATOM 0 HA CYS A 1 4.207 -7.149 -1.595 1.00 0.00 H new ATOM 0 HB2 CYS A 1 5.791 -8.609 -0.194 1.00 0.00 H new ATOM 0 HB3 CYS A 1 4.503 -8.725 0.988 1.00 0.00 H new ATOM 13 N ILE A 2 1.925 -8.048 -0.126 1.00 0.00 N ATOM 14 CA ILE A 2 0.544 -7.936 0.304 1.00 0.00 C ATOM 15 C ILE A 2 0.444 -8.125 1.816 1.00 0.00 C ATOM 16 O ILE A 2 0.697 -9.209 2.344 1.00 0.00 O ATOM 17 CB ILE A 2 -0.384 -8.938 -0.427 1.00 0.00 C ATOM 18 CG1 ILE A 2 -1.804 -8.851 0.135 1.00 0.00 C ATOM 19 CG2 ILE A 2 0.148 -10.363 -0.335 1.00 0.00 C ATOM 20 CD1 ILE A 2 -2.429 -7.480 -0.010 1.00 0.00 C ATOM 0 H ILE A 2 2.191 -8.969 -0.475 1.00 0.00 H new ATOM 0 HA ILE A 2 0.204 -6.934 0.042 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.407 -8.667 -1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.432 -9.583 -0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.786 -9.123 1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.528 -11.038 -0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.136 -10.413 -0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.217 -10.659 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.435 -7.492 0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.823 -6.746 0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.480 -7.213 -1.066 1.00 0.00 H new ATOM 32 N LYS A 3 0.096 -7.053 2.501 1.00 0.00 N ATOM 33 CA LYS A 3 -0.026 -7.056 3.939 1.00 0.00 C ATOM 34 C LYS A 3 -0.752 -5.793 4.379 1.00 0.00 C ATOM 35 O LYS A 3 -0.473 -4.707 3.863 1.00 0.00 O ATOM 36 CB LYS A 3 1.369 -7.125 4.572 1.00 0.00 C ATOM 37 CG LYS A 3 1.488 -6.361 5.873 1.00 0.00 C ATOM 38 CD LYS A 3 2.906 -6.389 6.411 1.00 0.00 C ATOM 39 CE LYS A 3 3.031 -5.590 7.697 1.00 0.00 C ATOM 40 NZ LYS A 3 4.416 -5.625 8.235 1.00 0.00 N ATOM 0 H LYS A 3 -0.110 -6.152 2.069 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.597 -7.925 4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.626 -8.169 4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.099 -6.734 3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.178 -5.328 5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.810 -6.790 6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.207 -7.421 6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.588 -5.985 5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.738 -4.556 7.513 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.342 -5.989 8.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.462 -5.069 9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.686 -6.609 8.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.071 -5.221 7.535 1.00 0.00 H new ATOM 54 N ASN A 4 -1.673 -5.925 5.322 1.00 0.00 N ATOM 55 CA ASN A 4 -2.404 -4.766 5.806 1.00 0.00 C ATOM 56 C ASN A 4 -1.461 -3.877 6.603 1.00 0.00 C ATOM 57 O ASN A 4 -0.671 -4.360 7.418 1.00 0.00 O ATOM 58 CB ASN A 4 -3.636 -5.169 6.638 1.00 0.00 C ATOM 59 CG ASN A 4 -3.307 -5.884 7.937 1.00 0.00 C ATOM 60 OD1 ASN A 4 -2.762 -5.299 8.873 1.00 0.00 O ATOM 61 ND2 ASN A 4 -3.648 -7.160 8.008 1.00 0.00 N ATOM 0 H ASN A 4 -1.929 -6.809 5.761 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.783 -4.209 4.949 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.214 -4.274 6.866 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.273 -5.814 6.033 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.461 -7.691 8.858 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.098 -7.613 7.213 1.00 0.00 H new ATOM 68 N GLY A 5 -1.513 -2.587 6.338 1.00 0.00 N ATOM 69 CA GLY A 5 -0.634 -1.663 7.022 1.00 0.00 C ATOM 70 C GLY A 5 0.563 -1.275 6.176 1.00 0.00 C ATOM 71 O GLY A 5 1.068 -0.158 6.290 1.00 0.00 O ATOM 0 H GLY A 5 -2.147 -2.160 5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.192 -0.766 7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.288 -2.115 7.952 1.00 0.00 H new ATOM 75 N ASN A 6 1.012 -2.196 5.321 1.00 0.00 N ATOM 76 CA ASN A 6 2.158 -1.942 4.445 1.00 0.00 C ATOM 77 C ASN A 6 1.873 -0.760 3.531 1.00 0.00 C ATOM 78 O ASN A 6 0.757 -0.602 3.037 1.00 0.00 O ATOM 79 CB ASN A 6 2.489 -3.172 3.601 1.00 0.00 C ATOM 80 CG ASN A 6 3.741 -2.983 2.762 1.00 0.00 C ATOM 81 OD1 ASN A 6 4.827 -2.737 3.287 1.00 0.00 O ATOM 82 ND2 ASN A 6 3.598 -3.100 1.452 1.00 0.00 N ATOM 0 H ASN A 6 0.600 -3.123 5.216 1.00 0.00 H new ATOM 0 HA ASN A 6 3.016 -1.713 5.077 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.621 -4.033 4.256 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.647 -3.396 2.946 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.405 -2.986 0.839 1.00 0.00 H new ATOM 0 HD22 ASN A 6 2.681 -3.305 1.055 1.00 0.00 H new ATOM 89 N GLY A 7 2.884 0.065 3.326 1.00 0.00 N ATOM 90 CA GLY A 7 2.745 1.244 2.492 1.00 0.00 C ATOM 91 C GLY A 7 2.470 0.926 1.036 1.00 0.00 C ATOM 92 O GLY A 7 3.397 0.709 0.252 1.00 0.00 O ATOM 0 H GLY A 7 3.813 -0.061 3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.934 1.860 2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.657 1.837 2.560 1.00 0.00 H new ATOM 96 N CYS A 8 1.197 0.927 0.671 1.00 0.00 N ATOM 97 CA CYS A 8 0.791 0.668 -0.700 1.00 0.00 C ATOM 98 C CYS A 8 0.893 1.949 -1.514 1.00 0.00 C ATOM 99 O CYS A 8 1.437 1.961 -2.616 1.00 0.00 O ATOM 100 CB CYS A 8 -0.642 0.128 -0.746 1.00 0.00 C ATOM 101 SG CYS A 8 -1.370 0.074 -2.418 1.00 0.00 S ATOM 0 H CYS A 8 0.423 1.106 1.311 1.00 0.00 H new ATOM 0 HA CYS A 8 1.454 -0.084 -1.126 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.653 -0.877 -0.325 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.272 0.748 -0.108 1.00 0.00 H new ATOM 106 N GLN A 9 0.375 3.033 -0.953 1.00 0.00 N ATOM 107 CA GLN A 9 0.407 4.330 -1.613 1.00 0.00 C ATOM 108 C GLN A 9 0.695 5.430 -0.599 1.00 0.00 C ATOM 109 O GLN A 9 -0.215 6.117 -0.130 1.00 0.00 O ATOM 110 CB GLN A 9 -0.915 4.602 -2.337 1.00 0.00 C ATOM 111 CG GLN A 9 -1.169 3.665 -3.506 1.00 0.00 C ATOM 112 CD GLN A 9 -2.427 4.005 -4.273 1.00 0.00 C ATOM 113 OE1 GLN A 9 -3.535 3.945 -3.738 1.00 0.00 O ATOM 114 NE2 GLN A 9 -2.262 4.369 -5.533 1.00 0.00 N ATOM 0 H GLN A 9 -0.075 3.039 -0.037 1.00 0.00 H new ATOM 0 HA GLN A 9 1.206 4.320 -2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.735 4.513 -1.625 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.917 5.630 -2.698 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.316 3.699 -4.184 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.241 2.642 -3.136 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.325 4.405 -5.935 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.071 4.614 -6.103 1.00 0.00 H new ATOM 123 N PRO A 10 1.977 5.587 -0.229 1.00 0.00 N ATOM 124 CA PRO A 10 2.427 6.583 0.749 1.00 0.00 C ATOM 125 C PRO A 10 2.434 8.013 0.205 1.00 0.00 C ATOM 126 O PRO A 10 3.434 8.721 0.323 1.00 0.00 O ATOM 127 CB PRO A 10 3.861 6.138 1.094 1.00 0.00 C ATOM 128 CG PRO A 10 4.041 4.805 0.444 1.00 0.00 C ATOM 129 CD PRO A 10 3.100 4.785 -0.722 1.00 0.00 C ATOM 0 HA PRO A 10 1.753 6.619 1.605 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.593 6.856 0.724 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.000 6.069 2.173 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.071 4.666 0.117 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.817 3.997 1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.549 5.220 -1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.794 3.771 -0.980 1.00 0.00 H new ATOM 137 N ASN A 11 1.308 8.431 -0.372 1.00 0.00 N ATOM 138 CA ASN A 11 1.159 9.781 -0.922 1.00 0.00 C ATOM 139 C ASN A 11 2.196 10.064 -2.007 1.00 0.00 C ATOM 140 O ASN A 11 3.129 10.847 -1.812 1.00 0.00 O ATOM 141 CB ASN A 11 1.252 10.834 0.191 1.00 0.00 C ATOM 142 CG ASN A 11 1.020 12.247 -0.316 1.00 0.00 C ATOM 143 OD1 ASN A 11 -0.033 12.557 -0.872 1.00 0.00 O ATOM 144 ND2 ASN A 11 2.005 13.112 -0.129 1.00 0.00 N ATOM 0 H ASN A 11 0.477 7.848 -0.472 1.00 0.00 H new ATOM 0 HA ASN A 11 0.172 9.840 -1.380 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.518 10.605 0.964 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.235 10.777 0.658 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.906 14.075 -0.451 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.863 12.815 0.337 1.00 0.00 H new ATOM 151 N GLY A 12 2.031 9.423 -3.153 1.00 0.00 N ATOM 152 CA GLY A 12 2.955 9.623 -4.250 1.00 0.00 C ATOM 153 C GLY A 12 4.276 8.919 -4.030 1.00 0.00 C ATOM 154 O GLY A 12 5.337 9.542 -4.076 1.00 0.00 O ATOM 0 H GLY A 12 1.273 8.767 -3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.503 9.260 -5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.133 10.690 -4.381 1.00 0.00 H new ATOM 158 N SER A 13 4.214 7.622 -3.791 1.00 0.00 N ATOM 159 CA SER A 13 5.406 6.823 -3.567 1.00 0.00 C ATOM 160 C SER A 13 5.172 5.396 -4.045 1.00 0.00 C ATOM 161 O SER A 13 4.044 4.899 -4.005 1.00 0.00 O ATOM 162 CB SER A 13 5.796 6.841 -2.087 1.00 0.00 C ATOM 163 OG SER A 13 6.077 8.162 -1.652 1.00 0.00 O ATOM 0 H SER A 13 3.342 7.095 -3.747 1.00 0.00 H new ATOM 0 HA SER A 13 6.229 7.252 -4.138 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.987 6.422 -1.489 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.670 6.209 -1.930 1.00 0.00 H new ATOM 0 HG SER A 13 5.382 8.455 -1.026 1.00 0.00 H new ATOM 169 N GLN A 14 6.233 4.757 -4.519 1.00 0.00 N ATOM 170 CA GLN A 14 6.154 3.395 -5.032 1.00 0.00 C ATOM 171 C GLN A 14 5.609 2.430 -3.988 1.00 0.00 C ATOM 172 O GLN A 14 6.004 2.459 -2.819 1.00 0.00 O ATOM 173 CB GLN A 14 7.527 2.923 -5.501 1.00 0.00 C ATOM 174 CG GLN A 14 8.087 3.745 -6.647 1.00 0.00 C ATOM 175 CD GLN A 14 9.445 3.263 -7.117 1.00 0.00 C ATOM 176 OE1 GLN A 14 10.043 3.857 -8.013 1.00 0.00 O ATOM 177 NE2 GLN A 14 9.938 2.182 -6.534 1.00 0.00 N ATOM 0 H GLN A 14 7.167 5.164 -4.559 1.00 0.00 H new ATOM 0 HA GLN A 14 5.465 3.405 -5.876 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.222 2.961 -4.662 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.458 1.880 -5.811 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.388 3.715 -7.483 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.166 4.786 -6.335 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.412 1.717 -5.794 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.844 1.814 -6.825 1.00 0.00 H new ATOM 186 N GLY A 15 4.699 1.580 -4.428 1.00 0.00 N ATOM 187 CA GLY A 15 4.090 0.600 -3.561 1.00 0.00 C ATOM 188 C GLY A 15 3.117 -0.261 -4.330 1.00 0.00 C ATOM 189 O GLY A 15 2.241 0.260 -5.021 1.00 0.00 O ATOM 0 H GLY A 15 4.366 1.553 -5.392 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.862 -0.026 -3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.572 1.102 -2.744 1.00 0.00 H new ATOM 193 N ASN A 16 3.279 -1.566 -4.243 1.00 0.00 N ATOM 194 CA ASN A 16 2.414 -2.483 -4.966 1.00 0.00 C ATOM 195 C ASN A 16 2.127 -3.728 -4.142 1.00 0.00 C ATOM 196 O ASN A 16 3.044 -4.396 -3.660 1.00 0.00 O ATOM 197 CB ASN A 16 3.065 -2.874 -6.298 1.00 0.00 C ATOM 198 CG ASN A 16 2.266 -3.914 -7.057 1.00 0.00 C ATOM 199 OD1 ASN A 16 1.120 -3.677 -7.444 1.00 0.00 O ATOM 200 ND2 ASN A 16 2.867 -5.071 -7.283 1.00 0.00 N ATOM 0 H ASN A 16 4.000 -2.017 -3.680 1.00 0.00 H new ATOM 0 HA ASN A 16 1.468 -1.979 -5.160 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.177 -1.984 -6.918 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.067 -3.259 -6.109 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.380 -5.807 -7.795 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.817 -5.227 -6.945 1.00 0.00 H new ATOM 207 N CYS A 17 0.851 -4.038 -3.989 1.00 0.00 N ATOM 208 CA CYS A 17 0.432 -5.206 -3.237 1.00 0.00 C ATOM 209 C CYS A 17 0.597 -6.450 -4.104 1.00 0.00 C ATOM 210 O CYS A 17 0.195 -6.453 -5.266 1.00 0.00 O ATOM 211 CB CYS A 17 -1.024 -5.045 -2.797 1.00 0.00 C ATOM 212 SG CYS A 17 -1.426 -3.376 -2.177 1.00 0.00 S ATOM 0 H CYS A 17 0.083 -3.492 -4.379 1.00 0.00 H new ATOM 0 HA CYS A 17 1.051 -5.312 -2.346 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.676 -5.276 -3.639 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.241 -5.774 -2.016 1.00 0.00 H new ATOM 217 N CYS A 18 1.216 -7.486 -3.548 1.00 0.00 N ATOM 218 CA CYS A 18 1.463 -8.724 -4.285 1.00 0.00 C ATOM 219 C CYS A 18 0.184 -9.296 -4.895 1.00 0.00 C ATOM 220 O CYS A 18 0.168 -9.670 -6.066 1.00 0.00 O ATOM 221 CB CYS A 18 2.128 -9.760 -3.379 1.00 0.00 C ATOM 222 SG CYS A 18 3.831 -9.329 -2.891 1.00 0.00 S ATOM 0 H CYS A 18 1.557 -7.494 -2.587 1.00 0.00 H new ATOM 0 HA CYS A 18 2.136 -8.482 -5.108 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.523 -9.884 -2.481 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.140 -10.722 -3.891 1.00 0.00 H new ATOM 227 N SER A 19 -0.885 -9.356 -4.112 1.00 0.00 N ATOM 228 CA SER A 19 -2.151 -9.876 -4.605 1.00 0.00 C ATOM 229 C SER A 19 -2.796 -8.880 -5.562 1.00 0.00 C ATOM 230 O SER A 19 -3.241 -9.243 -6.651 1.00 0.00 O ATOM 231 CB SER A 19 -3.086 -10.172 -3.435 1.00 0.00 C ATOM 232 OG SER A 19 -3.196 -9.046 -2.585 1.00 0.00 O ATOM 0 H SER A 19 -0.900 -9.053 -3.138 1.00 0.00 H new ATOM 0 HA SER A 19 -1.963 -10.803 -5.147 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.071 -10.447 -3.811 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.711 -11.025 -2.870 1.00 0.00 H new ATOM 0 HG SER A 19 -3.916 -9.194 -1.937 1.00 0.00 H new ATOM 238 N GLY A 20 -2.838 -7.622 -5.146 1.00 0.00 N ATOM 239 CA GLY A 20 -3.421 -6.590 -5.971 1.00 0.00 C ATOM 240 C GLY A 20 -4.291 -5.640 -5.180 1.00 0.00 C ATOM 241 O GLY A 20 -4.362 -4.451 -5.488 1.00 0.00 O ATOM 0 H GLY A 20 -2.477 -7.300 -4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.626 -6.028 -6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.016 -7.052 -6.759 1.00 0.00 H new ATOM 245 N TYR A 21 -4.975 -6.170 -4.174 1.00 0.00 N ATOM 246 CA TYR A 21 -5.874 -5.364 -3.358 1.00 0.00 C ATOM 247 C TYR A 21 -5.132 -4.311 -2.539 1.00 0.00 C ATOM 248 O TYR A 21 -4.209 -4.620 -1.781 1.00 0.00 O ATOM 249 CB TYR A 21 -6.693 -6.244 -2.416 1.00 0.00 C ATOM 250 CG TYR A 21 -7.831 -5.494 -1.763 1.00 0.00 C ATOM 251 CD1 TYR A 21 -8.784 -4.844 -2.537 1.00 0.00 C ATOM 252 CD2 TYR A 21 -7.947 -5.421 -0.382 1.00 0.00 C ATOM 253 CE1 TYR A 21 -9.820 -4.145 -1.954 1.00 0.00 C ATOM 254 CE2 TYR A 21 -8.981 -4.720 0.210 1.00 0.00 C ATOM 255 CZ TYR A 21 -9.914 -4.085 -0.581 1.00 0.00 C ATOM 256 OH TYR A 21 -10.942 -3.379 0.001 1.00 0.00 O ATOM 0 H TYR A 21 -4.925 -7.152 -3.904 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.538 -4.849 -4.053 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.093 -7.091 -2.973 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.040 -6.650 -1.644 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.712 -4.887 -3.614 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.218 -5.920 0.240 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -10.554 -3.647 -2.571 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.057 -4.670 1.286 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.867 -3.436 0.976 1.00 0.00 H new ATOM 266 N CYS A 22 -5.579 -3.074 -2.681 1.00 0.00 N ATOM 267 CA CYS A 22 -5.021 -1.943 -1.960 1.00 0.00 C ATOM 268 C CYS A 22 -6.170 -1.111 -1.398 1.00 0.00 C ATOM 269 O CYS A 22 -7.235 -1.029 -2.012 1.00 0.00 O ATOM 270 CB CYS A 22 -4.142 -1.098 -2.890 1.00 0.00 C ATOM 271 SG CYS A 22 -3.357 0.347 -2.095 1.00 0.00 S ATOM 0 H CYS A 22 -6.346 -2.825 -3.306 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.393 -2.297 -1.142 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -3.362 -1.734 -3.307 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.750 -0.750 -3.725 1.00 0.00 H new ATOM 276 N HIS A 23 -5.981 -0.522 -0.228 1.00 0.00 N ATOM 277 CA HIS A 23 -7.034 0.268 0.388 1.00 0.00 C ATOM 278 C HIS A 23 -6.552 1.681 0.699 1.00 0.00 C ATOM 279 O HIS A 23 -5.635 1.878 1.499 1.00 0.00 O ATOM 280 CB HIS A 23 -7.528 -0.420 1.670 1.00 0.00 C ATOM 281 CG HIS A 23 -8.705 0.257 2.309 1.00 0.00 C ATOM 282 ND1 HIS A 23 -9.933 0.376 1.698 1.00 0.00 N ATOM 283 CD2 HIS A 23 -8.830 0.863 3.513 1.00 0.00 C ATOM 284 CE1 HIS A 23 -10.760 1.026 2.492 1.00 0.00 C ATOM 285 NE2 HIS A 23 -10.116 1.333 3.600 1.00 0.00 N ATOM 0 H HIS A 23 -5.116 -0.575 0.310 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.861 0.342 -0.318 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.796 -1.450 1.437 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.709 -0.458 2.389 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.061 0.959 4.265 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.790 1.266 2.272 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.510 1.838 4.394 1.00 0.00 H new ATOM 294 N LYS A 24 -7.187 2.661 0.073 1.00 0.00 N ATOM 295 CA LYS A 24 -6.843 4.056 0.285 1.00 0.00 C ATOM 296 C LYS A 24 -8.039 4.942 -0.030 1.00 0.00 C ATOM 297 O LYS A 24 -8.482 5.027 -1.173 1.00 0.00 O ATOM 298 CB LYS A 24 -5.639 4.461 -0.574 1.00 0.00 C ATOM 299 CG LYS A 24 -5.146 5.875 -0.299 1.00 0.00 C ATOM 300 CD LYS A 24 -3.866 6.182 -1.057 1.00 0.00 C ATOM 301 CE LYS A 24 -3.350 7.581 -0.750 1.00 0.00 C ATOM 302 NZ LYS A 24 -4.252 8.639 -1.277 1.00 0.00 N ATOM 0 H LYS A 24 -7.948 2.512 -0.590 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.570 4.187 1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.824 3.759 -0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.909 4.377 -1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.917 6.591 -0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.974 5.999 0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.104 5.448 -0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.046 6.088 -2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.245 7.699 0.328 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.357 7.704 -1.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.813 9.571 -1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.414 8.483 -2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.161 8.604 -0.772 1.00 0.00 H new ATOM 316 N GLN A 25 -8.546 5.602 1.000 1.00 0.00 N ATOM 317 CA GLN A 25 -9.688 6.499 0.869 1.00 0.00 C ATOM 318 C GLN A 25 -9.575 7.661 1.863 1.00 0.00 C ATOM 319 O GLN A 25 -9.664 8.818 1.457 1.00 0.00 O ATOM 320 CB GLN A 25 -11.019 5.752 1.056 1.00 0.00 C ATOM 321 CG GLN A 25 -11.423 4.894 -0.132 1.00 0.00 C ATOM 322 CD GLN A 25 -12.697 4.116 0.123 1.00 0.00 C ATOM 323 OE1 GLN A 25 -13.744 4.692 0.415 1.00 0.00 O ATOM 324 NE2 GLN A 25 -12.620 2.802 0.015 1.00 0.00 N ATOM 0 H GLN A 25 -8.179 5.532 1.949 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.678 6.903 -0.143 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.946 5.118 1.940 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.807 6.480 1.249 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.558 5.530 -1.007 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.617 4.199 -0.365 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.733 2.361 -0.229 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.448 2.228 0.176 1.00 0.00 H new ATOM 333 N PRO A 26 -9.361 7.395 3.178 1.00 0.00 N ATOM 334 CA PRO A 26 -9.222 8.464 4.170 1.00 0.00 C ATOM 335 C PRO A 26 -8.000 9.329 3.889 1.00 0.00 C ATOM 336 O PRO A 26 -7.072 8.900 3.195 1.00 0.00 O ATOM 337 CB PRO A 26 -9.048 7.729 5.504 1.00 0.00 C ATOM 338 CG PRO A 26 -9.521 6.345 5.249 1.00 0.00 C ATOM 339 CD PRO A 26 -9.226 6.070 3.807 1.00 0.00 C ATOM 0 HA PRO A 26 -10.081 9.135 4.161 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -8.006 7.737 5.825 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -9.629 8.204 6.295 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -9.009 5.632 5.895 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -10.588 6.253 5.454 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -8.225 5.660 3.672 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.926 5.350 3.383 1.00 0.00 H new ATOM 347 N GLY A 27 -7.997 10.537 4.427 1.00 0.00 N ATOM 348 CA GLY A 27 -6.883 11.441 4.227 1.00 0.00 C ATOM 349 C GLY A 27 -5.687 11.100 5.096 1.00 0.00 C ATOM 350 O GLY A 27 -5.083 11.984 5.702 1.00 0.00 O ATOM 0 H GLY A 27 -8.751 10.911 5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.584 11.416 3.179 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.204 12.460 4.443 1.00 0.00 H new ATOM 354 N TRP A 28 -5.336 9.824 5.153 1.00 0.00 N ATOM 355 CA TRP A 28 -4.200 9.382 5.946 1.00 0.00 C ATOM 356 C TRP A 28 -2.887 9.659 5.224 1.00 0.00 C ATOM 357 O TRP A 28 -2.877 9.996 4.039 1.00 0.00 O ATOM 358 CB TRP A 28 -4.316 7.898 6.319 1.00 0.00 C ATOM 359 CG TRP A 28 -4.710 6.989 5.194 1.00 0.00 C ATOM 360 CD1 TRP A 28 -4.381 7.101 3.873 1.00 0.00 C ATOM 361 CD2 TRP A 28 -5.502 5.805 5.310 1.00 0.00 C ATOM 362 NE1 TRP A 28 -4.933 6.065 3.162 1.00 0.00 N ATOM 363 CE2 TRP A 28 -5.622 5.253 4.022 1.00 0.00 C ATOM 364 CE3 TRP A 28 -6.123 5.158 6.381 1.00 0.00 C ATOM 365 CZ2 TRP A 28 -6.339 4.085 3.780 1.00 0.00 C ATOM 366 CZ3 TRP A 28 -6.833 4.000 6.138 1.00 0.00 C ATOM 367 CH2 TRP A 28 -6.935 3.474 4.847 1.00 0.00 C ATOM 0 H TRP A 28 -5.822 9.076 4.659 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.206 9.957 6.872 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.358 7.563 6.717 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.048 7.797 7.121 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.775 7.889 3.450 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.844 5.923 2.156 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.049 5.557 7.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.421 3.676 2.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.318 3.492 6.959 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.497 2.565 4.689 1.00 0.00 H new ATOM 378 N VAL A 29 -1.791 9.538 5.954 1.00 0.00 N ATOM 379 CA VAL A 29 -0.463 9.795 5.412 1.00 0.00 C ATOM 380 C VAL A 29 -0.071 8.788 4.321 1.00 0.00 C ATOM 381 O VAL A 29 0.712 9.110 3.425 1.00 0.00 O ATOM 382 CB VAL A 29 0.605 9.801 6.535 1.00 0.00 C ATOM 383 CG1 VAL A 29 0.755 8.425 7.163 1.00 0.00 C ATOM 384 CG2 VAL A 29 1.943 10.304 6.015 1.00 0.00 C ATOM 0 H VAL A 29 -1.794 9.260 6.935 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.502 10.782 4.952 1.00 0.00 H new ATOM 0 HB VAL A 29 0.262 10.487 7.310 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.512 8.463 7.947 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.198 8.115 7.593 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.059 7.708 6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.673 10.298 6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.288 9.655 5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.828 11.320 5.638 1.00 0.00 H new ATOM 394 N ALA A 30 -0.600 7.568 4.395 1.00 0.00 N ATOM 395 CA ALA A 30 -0.263 6.551 3.409 1.00 0.00 C ATOM 396 C ALA A 30 -1.319 5.455 3.314 1.00 0.00 C ATOM 397 O ALA A 30 -1.791 4.942 4.330 1.00 0.00 O ATOM 398 CB ALA A 30 1.084 5.929 3.749 1.00 0.00 C ATOM 0 H ALA A 30 -1.254 7.265 5.117 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.218 7.047 2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.331 5.169 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.853 6.702 3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.034 5.470 4.737 1.00 0.00 H new ATOM 404 N GLY A 31 -1.651 5.078 2.082 1.00 0.00 N ATOM 405 CA GLY A 31 -2.609 4.012 1.854 1.00 0.00 C ATOM 406 C GLY A 31 -1.948 2.666 2.052 1.00 0.00 C ATOM 407 O GLY A 31 -0.753 2.528 1.783 1.00 0.00 O ATOM 0 H GLY A 31 -1.270 5.496 1.233 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.451 4.117 2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.010 4.083 0.843 1.00 0.00 H new ATOM 411 N TYR A 32 -2.685 1.680 2.536 1.00 0.00 N ATOM 412 CA TYR A 32 -2.095 0.371 2.779 1.00 0.00 C ATOM 413 C TYR A 32 -2.868 -0.761 2.110 1.00 0.00 C ATOM 414 O TYR A 32 -4.046 -0.624 1.783 1.00 0.00 O ATOM 415 CB TYR A 32 -1.962 0.119 4.287 1.00 0.00 C ATOM 416 CG TYR A 32 -3.241 0.272 5.090 1.00 0.00 C ATOM 417 CD1 TYR A 32 -4.340 -0.549 4.867 1.00 0.00 C ATOM 418 CD2 TYR A 32 -3.334 1.233 6.088 1.00 0.00 C ATOM 419 CE1 TYR A 32 -5.494 -0.414 5.613 1.00 0.00 C ATOM 420 CE2 TYR A 32 -4.487 1.374 6.836 1.00 0.00 C ATOM 421 CZ TYR A 32 -5.562 0.548 6.594 1.00 0.00 C ATOM 422 OH TYR A 32 -6.709 0.683 7.341 1.00 0.00 O ATOM 0 H TYR A 32 -3.676 1.756 2.766 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.104 0.380 2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.578 -0.890 4.437 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.217 0.806 4.688 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.291 -1.305 4.097 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.492 1.880 6.283 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.339 -1.060 5.427 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.545 2.128 7.607 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.141 1.536 7.126 1.00 0.00 H new ATOM 432 N CYS A 33 -2.184 -1.883 1.917 1.00 0.00 N ATOM 433 CA CYS A 33 -2.787 -3.059 1.303 1.00 0.00 C ATOM 434 C CYS A 33 -3.643 -3.805 2.319 1.00 0.00 C ATOM 435 O CYS A 33 -3.707 -3.426 3.488 1.00 0.00 O ATOM 436 CB CYS A 33 -1.709 -4.010 0.776 1.00 0.00 C ATOM 437 SG CYS A 33 -0.508 -3.262 -0.371 1.00 0.00 S ATOM 0 H CYS A 33 -1.205 -2.003 2.179 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.407 -2.720 0.473 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.166 -4.425 1.625 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.198 -4.844 0.272 1.00 0.00 H new ATOM 442 N ARG A 34 -4.268 -4.884 1.872 1.00 0.00 N ATOM 443 CA ARG A 34 -5.091 -5.712 2.737 1.00 0.00 C ATOM 444 C ARG A 34 -5.254 -7.088 2.113 1.00 0.00 C ATOM 445 O ARG A 34 -5.528 -7.204 0.918 1.00 0.00 O ATOM 446 CB ARG A 34 -6.466 -5.079 2.973 1.00 0.00 C ATOM 447 CG ARG A 34 -7.340 -5.901 3.904 1.00 0.00 C ATOM 448 CD ARG A 34 -8.712 -5.280 4.101 1.00 0.00 C ATOM 449 NE ARG A 34 -9.545 -6.094 4.986 1.00 0.00 N ATOM 450 CZ ARG A 34 -9.319 -6.259 6.292 1.00 0.00 C ATOM 451 NH1 ARG A 34 -8.379 -5.552 6.908 1.00 0.00 N ATOM 452 NH2 ARG A 34 -10.060 -7.114 6.986 1.00 0.00 N ATOM 0 H ARG A 34 -4.219 -5.208 0.906 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.594 -5.800 3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.335 -4.081 3.392 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.975 -4.959 2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.453 -6.907 3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.846 -6.000 4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.603 -4.280 4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.205 -5.169 3.135 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.352 -6.567 4.579 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.823 -4.877 6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.213 -5.684 7.906 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.799 -7.642 6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.891 -7.243 7.984 1.00 0.00 H new ATOM 466 N ARG A 35 -5.074 -8.127 2.917 1.00 0.00 N ATOM 467 CA ARG A 35 -5.200 -9.492 2.429 1.00 0.00 C ATOM 468 C ARG A 35 -6.657 -9.937 2.454 1.00 0.00 C ATOM 469 O ARG A 35 -7.569 -9.112 2.405 1.00 0.00 O ATOM 470 CB ARG A 35 -4.352 -10.444 3.274 1.00 0.00 C ATOM 471 CG ARG A 35 -2.880 -10.077 3.335 1.00 0.00 C ATOM 472 CD ARG A 35 -2.070 -11.182 3.991 1.00 0.00 C ATOM 473 NE ARG A 35 -2.032 -12.390 3.168 1.00 0.00 N ATOM 474 CZ ARG A 35 -1.612 -13.577 3.602 1.00 0.00 C ATOM 475 NH1 ARG A 35 -1.282 -13.741 4.876 1.00 0.00 N ATOM 476 NH2 ARG A 35 -1.548 -14.608 2.767 1.00 0.00 N ATOM 0 H ARG A 35 -4.841 -8.051 3.907 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.841 -9.519 1.400 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.752 -10.466 4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.447 -11.452 2.871 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.505 -9.895 2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.756 -9.149 3.894 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.053 -10.831 4.168 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.500 -11.419 4.964 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.347 -12.319 2.200 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.350 -12.957 5.525 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.961 -14.651 5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.821 -14.492 1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.226 -15.516 3.102 1.00 0.00 H new ATOM 490 N LYS A 36 -6.863 -11.244 2.552 1.00 0.00 N ATOM 491 CA LYS A 36 -8.195 -11.824 2.602 1.00 0.00 C ATOM 492 C LYS A 36 -8.080 -13.311 2.888 1.00 0.00 C ATOM 493 O LYS A 36 -6.949 -13.839 2.807 1.00 0.00 O ATOM 494 CB LYS A 36 -8.952 -11.595 1.287 1.00 0.00 C ATOM 495 CG LYS A 36 -8.250 -12.159 0.062 1.00 0.00 C ATOM 496 CD LYS A 36 -9.051 -11.898 -1.203 1.00 0.00 C ATOM 497 CE LYS A 36 -8.339 -12.428 -2.438 1.00 0.00 C ATOM 498 NZ LYS A 36 -8.135 -13.899 -2.378 1.00 0.00 N ATOM 499 OXT LYS A 36 -9.106 -13.948 3.199 1.00 0.00 O ATOM 0 H LYS A 36 -6.110 -11.930 2.599 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.759 -11.337 3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.941 -12.046 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.100 -10.524 1.147 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.261 -11.710 -0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.102 -13.232 0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.030 -12.369 -1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.221 -10.827 -1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.920 -12.179 -3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.374 -11.932 -2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.836 -14.246 -3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.401 -14.119 -1.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.025 -14.362 -2.105 1.00 0.00 H new