USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=9 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+ -111:sc= 0.113 (180deg=-0.0126) USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.024) USER MOD Single : A 10 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.6) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.026) USER MOD Single : A 15 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.7) USER MOD Single : A 18 LYS NZ :NH3+ -150:sc= -0.141 (180deg=-0.691) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 102:sc= 0.521 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.185 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 151:sc= 1.89 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.912 0.945 -2.036 1.00 0.00 N ATOM 2 CA GLU A 1 2.388 0.373 -0.782 1.00 0.00 C ATOM 3 C GLU A 1 3.130 -0.938 -1.030 1.00 0.00 C ATOM 4 O GLU A 1 3.220 -1.409 -2.164 1.00 0.00 O ATOM 5 CB GLU A 1 1.217 0.135 0.173 1.00 0.00 C ATOM 6 CG GLU A 1 0.233 -0.913 -0.318 1.00 0.00 C ATOM 7 CD GLU A 1 -0.842 -1.229 0.704 1.00 0.00 C ATOM 8 OE1 GLU A 1 -1.495 -0.282 1.189 1.00 0.00 O ATOM 9 OE2 GLU A 1 -1.030 -2.423 1.019 1.00 0.00 O ATOM 0 H1 GLU A 1 2.445 1.813 -2.246 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.050 0.259 -2.805 1.00 0.00 H new ATOM 0 H3 GLU A 1 0.901 1.172 -1.952 1.00 0.00 H new ATOM 0 HA GLU A 1 3.079 1.083 -0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.607 -0.172 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 1 0.687 1.075 0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -0.237 -0.563 -1.237 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.774 -1.826 -0.565 1.00 0.00 H new ATOM 16 N CYS A 2 3.662 -1.521 0.040 1.00 0.00 N ATOM 17 CA CYS A 2 4.397 -2.776 -0.059 1.00 0.00 C ATOM 18 C CYS A 2 4.089 -3.682 1.129 1.00 0.00 C ATOM 19 O CYS A 2 3.729 -3.209 2.208 1.00 0.00 O ATOM 20 CB CYS A 2 5.901 -2.505 -0.132 1.00 0.00 C ATOM 21 SG CYS A 2 6.492 -1.262 1.061 1.00 0.00 S ATOM 0 H CYS A 2 3.597 -1.144 0.985 1.00 0.00 H new ATOM 0 HA CYS A 2 4.081 -3.283 -0.971 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.436 -3.439 0.038 1.00 0.00 H new ATOM 0 HB3 CYS A 2 6.151 -2.173 -1.140 1.00 0.00 H new ATOM 26 N LEU A 3 4.233 -4.987 0.924 1.00 0.00 N ATOM 27 CA LEU A 3 3.971 -5.960 1.979 1.00 0.00 C ATOM 28 C LEU A 3 4.910 -5.748 3.162 1.00 0.00 C ATOM 29 O LEU A 3 6.021 -6.276 3.187 1.00 0.00 O ATOM 30 CB LEU A 3 4.128 -7.382 1.437 1.00 0.00 C ATOM 31 CG LEU A 3 5.370 -7.642 0.583 1.00 0.00 C ATOM 32 CD1 LEU A 3 6.392 -8.457 1.360 1.00 0.00 C ATOM 33 CD2 LEU A 3 4.990 -8.351 -0.709 1.00 0.00 C ATOM 0 H LEU A 3 4.530 -5.395 0.038 1.00 0.00 H new ATOM 0 HA LEU A 3 2.946 -5.819 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.141 -8.072 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.246 -7.622 0.843 1.00 0.00 H new ATOM 0 HG LEU A 3 5.820 -6.682 0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.268 -8.632 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.688 -7.911 2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.954 -9.413 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.886 -8.528 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.516 -9.304 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.296 -7.729 -1.274 1.00 0.00 H new ATOM 45 N GLU A 4 4.454 -4.973 4.141 1.00 0.00 N ATOM 46 CA GLU A 4 5.254 -4.692 5.328 1.00 0.00 C ATOM 47 C GLU A 4 4.979 -5.718 6.423 1.00 0.00 C ATOM 48 O GLU A 4 5.482 -6.841 6.376 1.00 0.00 O ATOM 49 CB GLU A 4 4.958 -3.283 5.847 1.00 0.00 C ATOM 50 CG GLU A 4 5.650 -2.186 5.057 1.00 0.00 C ATOM 51 CD GLU A 4 6.939 -1.722 5.707 1.00 0.00 C ATOM 52 OE1 GLU A 4 7.999 -2.312 5.409 1.00 0.00 O ATOM 53 OE2 GLU A 4 6.888 -0.769 6.513 1.00 0.00 O ATOM 0 H GLU A 4 3.536 -4.529 4.136 1.00 0.00 H new ATOM 0 HA GLU A 4 6.306 -4.755 5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.881 -3.114 5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.266 -3.217 6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.865 -2.548 4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.974 -1.337 4.953 1.00 0.00 H new ATOM 60 N ILE A 5 4.180 -5.323 7.409 1.00 0.00 N ATOM 61 CA ILE A 5 3.839 -6.208 8.516 1.00 0.00 C ATOM 62 C ILE A 5 2.578 -7.010 8.210 1.00 0.00 C ATOM 63 O ILE A 5 1.632 -6.496 7.613 1.00 0.00 O ATOM 64 CB ILE A 5 3.629 -5.420 9.822 1.00 0.00 C ATOM 65 CG1 ILE A 5 3.558 -6.376 11.014 1.00 0.00 C ATOM 66 CG2 ILE A 5 2.364 -4.578 9.735 1.00 0.00 C ATOM 67 CD1 ILE A 5 4.858 -6.484 11.780 1.00 0.00 C ATOM 0 H ILE A 5 3.757 -4.396 7.464 1.00 0.00 H new ATOM 0 HA ILE A 5 4.679 -6.891 8.645 1.00 0.00 H new ATOM 0 HB ILE A 5 4.478 -4.752 9.966 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.773 -6.041 11.692 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.271 -7.366 10.659 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.229 -4.027 10.666 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.451 -3.875 8.906 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.505 -5.228 9.571 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.734 -7.178 12.611 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.642 -6.848 11.116 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.136 -5.503 12.165 1.00 0.00 H new ATOM 79 N PHE A 6 2.571 -8.272 8.625 1.00 0.00 N ATOM 80 CA PHE A 6 1.426 -9.146 8.397 1.00 0.00 C ATOM 81 C PHE A 6 1.051 -9.175 6.918 1.00 0.00 C ATOM 82 O PHE A 6 -0.066 -9.544 6.556 1.00 0.00 O ATOM 83 CB PHE A 6 0.229 -8.681 9.229 1.00 0.00 C ATOM 84 CG PHE A 6 0.519 -8.596 10.700 1.00 0.00 C ATOM 85 CD1 PHE A 6 0.811 -9.737 11.429 1.00 0.00 C ATOM 86 CD2 PHE A 6 0.499 -7.374 11.354 1.00 0.00 C ATOM 87 CE1 PHE A 6 1.078 -9.662 12.783 1.00 0.00 C ATOM 88 CE2 PHE A 6 0.766 -7.293 12.707 1.00 0.00 C ATOM 89 CZ PHE A 6 1.054 -8.439 13.423 1.00 0.00 C ATOM 0 H PHE A 6 3.346 -8.713 9.121 1.00 0.00 H new ATOM 0 HA PHE A 6 1.703 -10.155 8.704 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.093 -7.702 8.873 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.603 -9.367 9.070 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.830 -10.696 10.934 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.272 -6.475 10.800 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.305 -10.559 13.340 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.750 -6.335 13.205 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.260 -8.378 14.481 1.00 0.00 H new ATOM 99 N LYS A 7 1.994 -8.784 6.067 1.00 0.00 N ATOM 100 CA LYS A 7 1.765 -8.766 4.627 1.00 0.00 C ATOM 101 C LYS A 7 2.396 -9.984 3.960 1.00 0.00 C ATOM 102 O LYS A 7 3.569 -10.286 4.181 1.00 0.00 O ATOM 103 CB LYS A 7 2.335 -7.484 4.016 1.00 0.00 C ATOM 104 CG LYS A 7 1.776 -6.214 4.634 1.00 0.00 C ATOM 105 CD LYS A 7 0.311 -6.373 5.005 1.00 0.00 C ATOM 106 CE LYS A 7 -0.316 -5.039 5.382 1.00 0.00 C ATOM 107 NZ LYS A 7 -0.590 -4.197 4.184 1.00 0.00 N ATOM 0 H LYS A 7 2.924 -8.475 6.350 1.00 0.00 H new ATOM 0 HA LYS A 7 0.689 -8.797 4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.419 -7.487 4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.128 -7.479 2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.352 -5.957 5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.887 -5.387 3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.233 -6.808 4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.219 -7.068 5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.246 -5.215 5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.350 -4.503 6.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.108 -3.342 4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.309 -3.923 3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.163 -4.737 3.504 1.00 0.00 H new ATOM 121 N ALA A 8 1.612 -10.678 3.143 1.00 0.00 N ATOM 122 CA ALA A 8 2.096 -11.861 2.441 1.00 0.00 C ATOM 123 C ALA A 8 3.212 -11.502 1.466 1.00 0.00 C ATOM 124 O ALA A 8 3.149 -10.479 0.784 1.00 0.00 O ATOM 125 CB ALA A 8 0.951 -12.545 1.708 1.00 0.00 C ATOM 0 H ALA A 8 0.639 -10.442 2.950 1.00 0.00 H new ATOM 0 HA ALA A 8 2.503 -12.551 3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.327 -13.426 1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.187 -12.845 2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.518 -11.854 0.984 1.00 0.00 H new ATOM 131 N CYS A 9 4.233 -12.350 1.405 1.00 0.00 N ATOM 132 CA CYS A 9 5.364 -12.123 0.514 1.00 0.00 C ATOM 133 C CYS A 9 5.385 -13.152 -0.612 1.00 0.00 C ATOM 134 O CYS A 9 4.984 -14.300 -0.425 1.00 0.00 O ATOM 135 CB CYS A 9 6.677 -12.181 1.298 1.00 0.00 C ATOM 136 SG CYS A 9 6.933 -13.740 2.205 1.00 0.00 S ATOM 0 H CYS A 9 4.300 -13.201 1.963 1.00 0.00 H new ATOM 0 HA CYS A 9 5.255 -11.132 0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.507 -12.035 0.607 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.702 -11.353 2.006 1.00 0.00 H new ATOM 141 N ASN A 10 5.856 -12.732 -1.782 1.00 0.00 N ATOM 142 CA ASN A 10 5.929 -13.616 -2.939 1.00 0.00 C ATOM 143 C ASN A 10 7.004 -14.682 -2.742 1.00 0.00 C ATOM 144 O ASN A 10 8.007 -14.468 -2.061 1.00 0.00 O ATOM 145 CB ASN A 10 6.221 -12.810 -4.206 1.00 0.00 C ATOM 146 CG ASN A 10 5.110 -12.923 -5.232 1.00 0.00 C ATOM 147 OD1 ASN A 10 3.928 -12.921 -4.886 1.00 0.00 O ATOM 148 ND2 ASN A 10 5.485 -13.023 -6.502 1.00 0.00 N ATOM 0 H ASN A 10 6.193 -11.785 -1.953 1.00 0.00 H new ATOM 0 HA ASN A 10 4.965 -14.112 -3.047 1.00 0.00 H new ATOM 0 HB2 ASN A 10 6.363 -11.762 -3.942 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.156 -13.157 -4.647 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.782 -13.102 -7.237 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.476 -13.020 -6.743 1.00 0.00 H new ATOM 155 N PRO A 11 6.791 -15.856 -3.353 1.00 0.00 N ATOM 156 CA PRO A 11 7.730 -16.978 -3.261 1.00 0.00 C ATOM 157 C PRO A 11 9.029 -16.710 -4.014 1.00 0.00 C ATOM 158 O PRO A 11 10.071 -17.286 -3.699 1.00 0.00 O ATOM 159 CB PRO A 11 6.966 -18.135 -3.908 1.00 0.00 C ATOM 160 CG PRO A 11 6.000 -17.480 -4.834 1.00 0.00 C ATOM 161 CD PRO A 11 5.617 -16.180 -4.181 1.00 0.00 C ATOM 0 HA PRO A 11 8.033 -17.172 -2.232 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.639 -18.803 -4.446 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.451 -18.737 -3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.451 -17.308 -5.811 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.124 -18.109 -4.994 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.419 -15.403 -4.919 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.716 -16.284 -3.577 1.00 0.00 H new ATOM 169 N SER A 12 8.960 -15.832 -5.010 1.00 0.00 N ATOM 170 CA SER A 12 10.130 -15.491 -5.811 1.00 0.00 C ATOM 171 C SER A 12 10.872 -14.302 -5.207 1.00 0.00 C ATOM 172 O SER A 12 12.096 -14.208 -5.301 1.00 0.00 O ATOM 173 CB SER A 12 9.715 -15.171 -7.248 1.00 0.00 C ATOM 174 OG SER A 12 10.236 -16.127 -8.154 1.00 0.00 O ATOM 0 H SER A 12 8.106 -15.344 -5.281 1.00 0.00 H new ATOM 0 HA SER A 12 10.800 -16.351 -5.817 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.628 -15.152 -7.320 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.070 -14.177 -7.520 1.00 0.00 H new ATOM 0 HG SER A 12 9.955 -15.901 -9.065 1.00 0.00 H new ATOM 180 N ASN A 13 10.123 -13.397 -4.588 1.00 0.00 N ATOM 181 CA ASN A 13 10.709 -12.213 -3.969 1.00 0.00 C ATOM 182 C ASN A 13 11.061 -12.481 -2.509 1.00 0.00 C ATOM 183 O ASN A 13 12.234 -12.506 -2.137 1.00 0.00 O ATOM 184 CB ASN A 13 9.742 -11.031 -4.064 1.00 0.00 C ATOM 185 CG ASN A 13 10.439 -9.697 -3.876 1.00 0.00 C ATOM 186 OD1 ASN A 13 10.023 -8.876 -3.059 1.00 0.00 O ATOM 187 ND2 ASN A 13 11.507 -9.476 -4.634 1.00 0.00 N ATOM 0 H ASN A 13 9.109 -13.460 -4.501 1.00 0.00 H new ATOM 0 HA ASN A 13 11.625 -11.968 -4.506 1.00 0.00 H new ATOM 0 HB2 ASN A 13 9.248 -11.046 -5.036 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.963 -11.141 -3.309 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.018 -8.597 -4.552 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.816 -10.185 -5.298 1.00 0.00 H new ATOM 194 N ASP A 14 10.037 -12.680 -1.686 1.00 0.00 N ATOM 195 CA ASP A 14 10.238 -12.948 -0.267 1.00 0.00 C ATOM 196 C ASP A 14 10.909 -11.762 0.420 1.00 0.00 C ATOM 197 O ASP A 14 10.854 -11.629 1.642 1.00 0.00 O ATOM 198 CB ASP A 14 11.083 -14.208 -0.078 1.00 0.00 C ATOM 199 CG ASP A 14 10.916 -14.816 1.301 1.00 0.00 C ATOM 200 OD1 ASP A 14 11.473 -14.256 2.268 1.00 0.00 O ATOM 201 OD2 ASP A 14 10.228 -15.852 1.412 1.00 0.00 O ATOM 0 H ASP A 14 9.060 -12.661 -1.977 1.00 0.00 H new ATOM 0 HA ASP A 14 9.261 -13.104 0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 14 10.806 -14.944 -0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.133 -13.965 -0.240 1.00 0.00 H new ATOM 206 N GLN A 15 11.542 -10.905 -0.374 1.00 0.00 N ATOM 207 CA GLN A 15 12.225 -9.733 0.158 1.00 0.00 C ATOM 208 C GLN A 15 11.222 -8.700 0.661 1.00 0.00 C ATOM 209 O GLN A 15 10.686 -7.910 -0.117 1.00 0.00 O ATOM 210 CB GLN A 15 13.123 -9.110 -0.912 1.00 0.00 C ATOM 211 CG GLN A 15 14.362 -9.935 -1.222 1.00 0.00 C ATOM 212 CD GLN A 15 15.213 -10.194 0.006 1.00 0.00 C ATOM 213 OE1 GLN A 15 15.301 -9.355 0.903 1.00 0.00 O ATOM 214 NE2 GLN A 15 15.845 -11.361 0.053 1.00 0.00 N ATOM 0 H GLN A 15 11.596 -11.001 -1.388 1.00 0.00 H new ATOM 0 HA GLN A 15 12.841 -10.053 0.998 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.546 -8.978 -1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.430 -8.117 -0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 15 14.060 -10.887 -1.658 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.960 -9.417 -1.972 1.00 0.00 H new ATOM 0 HE21 GLN A 15 15.744 -12.027 -0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 15 16.432 -11.591 0.855 1.00 0.00 H new ATOM 223 N CYS A 16 10.972 -8.711 1.966 1.00 0.00 N ATOM 224 CA CYS A 16 10.033 -7.776 2.574 1.00 0.00 C ATOM 225 C CYS A 16 10.474 -6.334 2.342 1.00 0.00 C ATOM 226 O CYS A 16 11.667 -6.047 2.237 1.00 0.00 O ATOM 227 CB CYS A 16 9.908 -8.048 4.074 1.00 0.00 C ATOM 228 SG CYS A 16 8.235 -7.782 4.742 1.00 0.00 S ATOM 0 H CYS A 16 11.407 -9.358 2.623 1.00 0.00 H new ATOM 0 HA CYS A 16 9.060 -7.920 2.104 1.00 0.00 H new ATOM 0 HB2 CYS A 16 10.207 -9.077 4.272 1.00 0.00 H new ATOM 0 HB3 CYS A 16 10.607 -7.405 4.608 1.00 0.00 H new ATOM 233 N CYS A 17 9.504 -5.429 2.263 1.00 0.00 N ATOM 234 CA CYS A 17 9.790 -4.017 2.044 1.00 0.00 C ATOM 235 C CYS A 17 10.852 -3.519 3.021 1.00 0.00 C ATOM 236 O CYS A 17 10.900 -3.948 4.174 1.00 0.00 O ATOM 237 CB CYS A 17 8.514 -3.187 2.194 1.00 0.00 C ATOM 238 SG CYS A 17 8.522 -1.632 1.245 1.00 0.00 S ATOM 0 H CYS A 17 8.512 -5.649 2.348 1.00 0.00 H new ATOM 0 HA CYS A 17 10.172 -3.903 1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.662 -3.789 1.877 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.366 -2.956 3.249 1.00 0.00 H new ATOM 243 N LYS A 18 11.700 -2.611 2.552 1.00 0.00 N ATOM 244 CA LYS A 18 12.760 -2.052 3.382 1.00 0.00 C ATOM 245 C LYS A 18 12.203 -1.013 4.350 1.00 0.00 C ATOM 246 O LYS A 18 12.916 -0.518 5.223 1.00 0.00 O ATOM 247 CB LYS A 18 13.843 -1.419 2.506 1.00 0.00 C ATOM 248 CG LYS A 18 15.044 -2.320 2.277 1.00 0.00 C ATOM 249 CD LYS A 18 14.734 -3.419 1.275 1.00 0.00 C ATOM 250 CE LYS A 18 14.416 -4.734 1.971 1.00 0.00 C ATOM 251 NZ LYS A 18 15.574 -5.239 2.758 1.00 0.00 N ATOM 0 H LYS A 18 11.674 -2.246 1.600 1.00 0.00 H new ATOM 0 HA LYS A 18 13.199 -2.864 3.961 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.409 -1.154 1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.178 -0.492 2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.883 -1.725 1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.352 -2.765 3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.888 -3.120 0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.585 -3.556 0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.560 -4.597 2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.130 -5.478 1.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.547 -6.278 2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.460 -4.928 2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.525 -4.864 3.727 1.00 0.00 H new ATOM 265 N SER A 19 10.924 -0.688 4.190 1.00 0.00 N ATOM 266 CA SER A 19 10.271 0.294 5.048 1.00 0.00 C ATOM 267 C SER A 19 10.312 -0.148 6.508 1.00 0.00 C ATOM 268 O SER A 19 10.194 0.671 7.419 1.00 0.00 O ATOM 269 CB SER A 19 8.821 0.505 4.608 1.00 0.00 C ATOM 270 OG SER A 19 8.728 1.532 3.636 1.00 0.00 O ATOM 0 H SER A 19 10.319 -1.090 3.474 1.00 0.00 H new ATOM 0 HA SER A 19 10.811 1.236 4.956 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.423 -0.424 4.200 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.209 0.762 5.473 1.00 0.00 H new ATOM 0 HG SER A 19 7.792 1.647 3.370 1.00 0.00 H new ATOM 276 N SER A 20 10.479 -1.449 6.721 1.00 0.00 N ATOM 277 CA SER A 20 10.532 -2.002 8.069 1.00 0.00 C ATOM 278 C SER A 20 11.249 -3.349 8.077 1.00 0.00 C ATOM 279 O SER A 20 11.172 -4.112 7.113 1.00 0.00 O ATOM 280 CB SER A 20 9.119 -2.161 8.634 1.00 0.00 C ATOM 281 OG SER A 20 8.540 -0.900 8.921 1.00 0.00 O ATOM 0 H SER A 20 10.580 -2.140 5.977 1.00 0.00 H new ATOM 0 HA SER A 20 11.091 -1.309 8.697 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.496 -2.696 7.918 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.152 -2.764 9.541 1.00 0.00 H new ATOM 0 HG SER A 20 7.910 -0.660 8.210 1.00 0.00 H new ATOM 287 N LYS A 21 11.947 -3.635 9.170 1.00 0.00 N ATOM 288 CA LYS A 21 12.678 -4.889 9.307 1.00 0.00 C ATOM 289 C LYS A 21 11.726 -6.044 9.602 1.00 0.00 C ATOM 290 O LYS A 21 11.224 -6.178 10.718 1.00 0.00 O ATOM 291 CB LYS A 21 13.722 -4.777 10.420 1.00 0.00 C ATOM 292 CG LYS A 21 14.797 -3.740 10.143 1.00 0.00 C ATOM 293 CD LYS A 21 16.021 -3.960 11.016 1.00 0.00 C ATOM 294 CE LYS A 21 15.814 -3.405 12.417 1.00 0.00 C ATOM 295 NZ LYS A 21 17.106 -3.068 13.077 1.00 0.00 N ATOM 0 H LYS A 21 12.022 -3.014 9.976 1.00 0.00 H new ATOM 0 HA LYS A 21 13.184 -5.090 8.363 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.219 -4.527 11.354 1.00 0.00 H new ATOM 0 HB3 LYS A 21 14.195 -5.749 10.563 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.085 -3.785 9.093 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.396 -2.742 10.321 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.240 -5.026 11.075 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.887 -3.481 10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.189 -2.513 12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.277 -4.136 13.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.922 -2.693 14.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.693 -3.924 13.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.607 -2.351 12.514 1.00 0.00 H new ATOM 309 N LEU A 22 11.484 -6.877 8.596 1.00 0.00 N ATOM 310 CA LEU A 22 10.594 -8.022 8.748 1.00 0.00 C ATOM 311 C LEU A 22 11.087 -9.209 7.926 1.00 0.00 C ATOM 312 O LEU A 22 11.716 -9.035 6.882 1.00 0.00 O ATOM 313 CB LEU A 22 9.172 -7.648 8.323 1.00 0.00 C ATOM 314 CG LEU A 22 8.483 -6.571 9.160 1.00 0.00 C ATOM 315 CD1 LEU A 22 7.463 -5.815 8.323 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.818 -7.190 10.382 1.00 0.00 C ATOM 0 H LEU A 22 11.892 -6.781 7.666 1.00 0.00 H new ATOM 0 HA LEU A 22 10.589 -8.309 9.799 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.201 -7.311 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.558 -8.548 8.349 1.00 0.00 H new ATOM 0 HG LEU A 22 9.239 -5.864 9.500 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.983 -5.052 8.936 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.965 -5.340 7.480 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.710 -6.510 7.952 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.332 -6.409 10.967 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.074 -7.919 10.061 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.571 -7.686 10.994 1.00 0.00 H new ATOM 328 N VAL A 23 10.796 -10.415 8.403 1.00 0.00 N ATOM 329 CA VAL A 23 11.207 -11.630 7.711 1.00 0.00 C ATOM 330 C VAL A 23 10.021 -12.560 7.482 1.00 0.00 C ATOM 331 O VAL A 23 9.104 -12.628 8.301 1.00 0.00 O ATOM 332 CB VAL A 23 12.292 -12.386 8.501 1.00 0.00 C ATOM 333 CG1 VAL A 23 12.813 -13.568 7.697 1.00 0.00 C ATOM 334 CG2 VAL A 23 13.427 -11.447 8.880 1.00 0.00 C ATOM 0 H VAL A 23 10.277 -10.576 9.266 1.00 0.00 H new ATOM 0 HA VAL A 23 11.616 -11.323 6.748 1.00 0.00 H new ATOM 0 HB VAL A 23 11.847 -12.770 9.419 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.579 -14.090 8.271 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.992 -14.252 7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.242 -13.210 6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.184 -11.998 9.438 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.873 -11.031 7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.039 -10.638 9.498 1.00 0.00 H new ATOM 344 N CYS A 24 10.044 -13.275 6.362 1.00 0.00 N ATOM 345 CA CYS A 24 8.971 -14.201 6.022 1.00 0.00 C ATOM 346 C CYS A 24 9.524 -15.446 5.335 1.00 0.00 C ATOM 347 O CYS A 24 8.791 -16.179 4.671 1.00 0.00 O ATOM 348 CB CYS A 24 7.946 -13.517 5.115 1.00 0.00 C ATOM 349 SG CYS A 24 8.513 -13.280 3.400 1.00 0.00 S ATOM 0 H CYS A 24 10.795 -13.230 5.674 1.00 0.00 H new ATOM 0 HA CYS A 24 8.481 -14.505 6.947 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.032 -14.110 5.106 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.691 -12.546 5.540 1.00 0.00 H new ATOM 354 N SER A 25 10.822 -15.679 5.501 1.00 0.00 N ATOM 355 CA SER A 25 11.475 -16.833 4.894 1.00 0.00 C ATOM 356 C SER A 25 10.927 -18.134 5.472 1.00 0.00 C ATOM 357 O SER A 25 10.150 -18.835 4.824 1.00 0.00 O ATOM 358 CB SER A 25 12.988 -16.763 5.112 1.00 0.00 C ATOM 359 OG SER A 25 13.295 -16.368 6.438 1.00 0.00 O ATOM 0 H SER A 25 11.442 -15.084 6.051 1.00 0.00 H new ATOM 0 HA SER A 25 11.268 -16.815 3.824 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.433 -17.736 4.907 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.428 -16.057 4.408 1.00 0.00 H new ATOM 0 HG SER A 25 14.268 -16.333 6.552 1.00 0.00 H new ATOM 365 N ARG A 26 11.337 -18.449 6.696 1.00 0.00 N ATOM 366 CA ARG A 26 10.888 -19.666 7.363 1.00 0.00 C ATOM 367 C ARG A 26 9.663 -19.391 8.230 1.00 0.00 C ATOM 368 O ARG A 26 8.916 -20.306 8.577 1.00 0.00 O ATOM 369 CB ARG A 26 12.013 -20.248 8.220 1.00 0.00 C ATOM 370 CG ARG A 26 12.458 -19.329 9.347 1.00 0.00 C ATOM 371 CD ARG A 26 13.924 -19.540 9.692 1.00 0.00 C ATOM 372 NE ARG A 26 14.802 -19.213 8.573 1.00 0.00 N ATOM 373 CZ ARG A 26 16.113 -19.035 8.695 1.00 0.00 C ATOM 374 NH1 ARG A 26 16.694 -19.152 9.881 1.00 0.00 N ATOM 375 NH2 ARG A 26 16.846 -18.739 7.629 1.00 0.00 N ATOM 0 H ARG A 26 11.979 -17.879 7.246 1.00 0.00 H new ATOM 0 HA ARG A 26 10.613 -20.390 6.596 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.682 -21.196 8.645 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.869 -20.467 7.581 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.297 -18.291 9.056 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.845 -19.511 10.230 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.187 -18.923 10.551 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.082 -20.578 9.985 1.00 0.00 H new ATOM 0 HE ARG A 26 14.386 -19.116 7.647 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.134 -19.379 10.703 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.701 -19.015 9.972 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.403 -18.648 6.715 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.852 -18.603 7.724 1.00 0.00 H new ATOM 389 N LYS A 27 9.463 -18.124 8.577 1.00 0.00 N ATOM 390 CA LYS A 27 8.329 -17.727 9.403 1.00 0.00 C ATOM 391 C LYS A 27 7.016 -17.918 8.652 1.00 0.00 C ATOM 392 O LYS A 27 6.976 -18.559 7.601 1.00 0.00 O ATOM 393 CB LYS A 27 8.474 -16.266 9.835 1.00 0.00 C ATOM 394 CG LYS A 27 9.795 -15.962 10.521 1.00 0.00 C ATOM 395 CD LYS A 27 9.663 -16.018 12.034 1.00 0.00 C ATOM 396 CE LYS A 27 11.009 -16.250 12.703 1.00 0.00 C ATOM 397 NZ LYS A 27 11.805 -14.995 12.796 1.00 0.00 N ATOM 0 H LYS A 27 10.072 -17.354 8.299 1.00 0.00 H new ATOM 0 HA LYS A 27 8.316 -18.362 10.289 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.373 -15.625 8.959 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.657 -16.013 10.511 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.549 -16.678 10.194 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.143 -14.973 10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.231 -15.086 12.397 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.975 -16.817 12.311 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.853 -16.656 13.702 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.571 -16.996 12.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.715 -15.195 13.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.976 -14.621 11.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.280 -14.292 13.355 1.00 0.00 H new ATOM 411 N THR A 28 5.940 -17.357 9.197 1.00 0.00 N ATOM 412 CA THR A 28 4.625 -17.466 8.579 1.00 0.00 C ATOM 413 C THR A 28 4.625 -16.865 7.178 1.00 0.00 C ATOM 414 O THR A 28 5.564 -16.168 6.791 1.00 0.00 O ATOM 415 CB THR A 28 3.546 -16.765 9.426 1.00 0.00 C ATOM 416 OG1 THR A 28 4.097 -15.603 10.057 1.00 0.00 O ATOM 417 CG2 THR A 28 2.991 -17.707 10.483 1.00 0.00 C ATOM 0 H THR A 28 5.954 -16.822 10.066 1.00 0.00 H new ATOM 0 HA THR A 28 4.393 -18.529 8.516 1.00 0.00 H new ATOM 0 HB THR A 28 2.732 -16.468 8.764 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.391 -14.936 10.189 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.231 -17.190 11.068 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.546 -18.576 9.998 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.797 -18.031 11.141 1.00 0.00 H new ATOM 425 N ARG A 29 3.567 -17.138 6.422 1.00 0.00 N ATOM 426 CA ARG A 29 3.445 -16.624 5.063 1.00 0.00 C ATOM 427 C ARG A 29 3.471 -15.099 5.054 1.00 0.00 C ATOM 428 O ARG A 29 3.743 -14.479 4.026 1.00 0.00 O ATOM 429 CB ARG A 29 2.152 -17.127 4.418 1.00 0.00 C ATOM 430 CG ARG A 29 2.293 -18.485 3.750 1.00 0.00 C ATOM 431 CD ARG A 29 1.012 -18.891 3.037 1.00 0.00 C ATOM 432 NE ARG A 29 1.145 -20.179 2.363 1.00 0.00 N ATOM 433 CZ ARG A 29 1.802 -20.347 1.221 1.00 0.00 C ATOM 434 NH1 ARG A 29 2.383 -19.312 0.628 1.00 0.00 N ATOM 435 NH2 ARG A 29 1.880 -21.551 0.669 1.00 0.00 N ATOM 0 H ARG A 29 2.781 -17.712 6.728 1.00 0.00 H new ATOM 0 HA ARG A 29 4.295 -16.988 4.487 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.375 -17.185 5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.819 -16.400 3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.115 -18.456 3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.548 -19.235 4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.196 -18.942 3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.745 -18.126 2.308 1.00 0.00 H new ATOM 0 HE ARG A 29 0.709 -20.995 2.793 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.326 -18.385 1.049 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.887 -19.444 -0.249 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.435 -22.349 1.122 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.385 -21.678 -0.208 1.00 0.00 H new ATOM 449 N TRP A 30 3.185 -14.501 6.205 1.00 0.00 N ATOM 450 CA TRP A 30 3.174 -13.048 6.330 1.00 0.00 C ATOM 451 C TRP A 30 4.435 -12.553 7.029 1.00 0.00 C ATOM 452 O TRP A 30 4.949 -13.203 7.940 1.00 0.00 O ATOM 453 CB TRP A 30 1.935 -12.591 7.101 1.00 0.00 C ATOM 454 CG TRP A 30 1.857 -13.154 8.487 1.00 0.00 C ATOM 455 CD1 TRP A 30 2.420 -12.633 9.617 1.00 0.00 C ATOM 456 CD2 TRP A 30 1.178 -14.349 8.890 1.00 0.00 C ATOM 457 NE1 TRP A 30 2.132 -13.431 10.697 1.00 0.00 N ATOM 458 CE2 TRP A 30 1.370 -14.490 10.278 1.00 0.00 C ATOM 459 CE3 TRP A 30 0.424 -15.312 8.213 1.00 0.00 C ATOM 460 CZ2 TRP A 30 0.837 -15.555 10.999 1.00 0.00 C ATOM 461 CZ3 TRP A 30 -0.104 -16.368 8.930 1.00 0.00 C ATOM 462 CH2 TRP A 30 0.104 -16.483 10.311 1.00 0.00 C ATOM 0 H TRP A 30 2.958 -15.000 7.065 1.00 0.00 H new ATOM 0 HA TRP A 30 3.146 -12.622 5.327 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.932 -11.502 7.158 1.00 0.00 H new ATOM 0 HB3 TRP A 30 1.043 -12.883 6.547 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.006 -11.726 9.656 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.436 -13.263 11.656 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.257 -15.232 7.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 0.996 -15.645 12.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.687 -17.118 8.417 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -0.323 -17.321 10.843 1.00 0.00 H new ATOM 473 N CYS A 31 4.930 -11.397 6.598 1.00 0.00 N ATOM 474 CA CYS A 31 6.132 -10.814 7.183 1.00 0.00 C ATOM 475 C CYS A 31 5.937 -10.546 8.673 1.00 0.00 C ATOM 476 O CYS A 31 4.950 -9.934 9.081 1.00 0.00 O ATOM 477 CB CYS A 31 6.495 -9.514 6.463 1.00 0.00 C ATOM 478 SG CYS A 31 7.593 -9.741 5.027 1.00 0.00 S ATOM 0 H CYS A 31 4.517 -10.846 5.846 1.00 0.00 H new ATOM 0 HA CYS A 31 6.947 -11.528 7.064 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.578 -9.026 6.132 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.976 -8.841 7.172 1.00 0.00 H new ATOM 483 N LYS A 32 6.885 -11.009 9.480 1.00 0.00 N ATOM 484 CA LYS A 32 6.821 -10.819 10.924 1.00 0.00 C ATOM 485 C LYS A 32 8.171 -10.372 11.475 1.00 0.00 C ATOM 486 O LYS A 32 9.220 -10.715 10.929 1.00 0.00 O ATOM 487 CB LYS A 32 6.382 -12.115 11.611 1.00 0.00 C ATOM 488 CG LYS A 32 4.882 -12.212 11.825 1.00 0.00 C ATOM 489 CD LYS A 32 4.481 -11.705 13.200 1.00 0.00 C ATOM 490 CE LYS A 32 3.455 -12.618 13.854 1.00 0.00 C ATOM 491 NZ LYS A 32 3.390 -12.414 15.327 1.00 0.00 N ATOM 0 H LYS A 32 7.708 -11.519 9.158 1.00 0.00 H new ATOM 0 HA LYS A 32 6.088 -10.039 11.130 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.711 -12.964 11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.884 -12.193 12.575 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.366 -11.634 11.058 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.564 -13.248 11.711 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.364 -11.635 13.835 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.071 -10.699 13.113 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.473 -12.432 13.418 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.706 -13.657 13.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.679 -13.054 15.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.320 -12.616 15.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.125 -11.429 15.530 1.00 0.00 H new ATOM 505 N TYR A 33 8.137 -9.605 12.559 1.00 0.00 N ATOM 506 CA TYR A 33 9.359 -9.110 13.183 1.00 0.00 C ATOM 507 C TYR A 33 10.130 -10.246 13.849 1.00 0.00 C ATOM 508 O TYR A 33 9.541 -11.225 14.306 1.00 0.00 O ATOM 509 CB TYR A 33 9.028 -8.030 14.215 1.00 0.00 C ATOM 510 CG TYR A 33 7.915 -8.419 15.162 1.00 0.00 C ATOM 511 CD1 TYR A 33 8.088 -9.442 16.086 1.00 0.00 C ATOM 512 CD2 TYR A 33 6.690 -7.764 15.133 1.00 0.00 C ATOM 513 CE1 TYR A 33 7.073 -9.801 16.953 1.00 0.00 C ATOM 514 CE2 TYR A 33 5.671 -8.115 15.996 1.00 0.00 C ATOM 515 CZ TYR A 33 5.867 -9.134 16.904 1.00 0.00 C ATOM 516 OH TYR A 33 4.854 -9.488 17.765 1.00 0.00 O ATOM 0 H TYR A 33 7.277 -9.313 13.024 1.00 0.00 H new ATOM 0 HA TYR A 33 9.986 -8.678 12.403 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.924 -7.805 14.793 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.747 -7.115 13.694 1.00 0.00 H new ATOM 0 HD1 TYR A 33 9.032 -9.966 16.128 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.532 -6.966 14.423 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.224 -10.599 17.665 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.726 -7.594 15.960 1.00 0.00 H new ATOM 0 HH TYR A 33 4.072 -8.920 17.601 1.00 0.00 H new ATOM 526 N GLN A 34 11.451 -10.106 13.898 1.00 0.00 N ATOM 527 CA GLN A 34 12.303 -11.120 14.507 1.00 0.00 C ATOM 528 C GLN A 34 11.881 -11.393 15.947 1.00 0.00 C ATOM 529 O GLN A 34 11.576 -10.468 16.701 1.00 0.00 O ATOM 530 CB GLN A 34 13.767 -10.677 14.468 1.00 0.00 C ATOM 531 CG GLN A 34 14.380 -10.726 13.078 1.00 0.00 C ATOM 532 CD GLN A 34 15.851 -10.358 13.076 1.00 0.00 C ATOM 533 OE1 GLN A 34 16.210 -9.185 13.185 1.00 0.00 O ATOM 534 NE2 GLN A 34 16.712 -11.361 12.951 1.00 0.00 N ATOM 0 H GLN A 34 11.954 -9.301 13.524 1.00 0.00 H new ATOM 0 HA GLN A 34 12.194 -12.041 13.935 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.841 -9.660 14.853 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.348 -11.313 15.135 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.259 -11.728 12.667 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.838 -10.045 12.422 1.00 0.00 H new ATOM 0 HE21 GLN A 34 16.371 -12.318 12.863 1.00 0.00 H new ATOM 0 HE22 GLN A 34 17.715 -11.174 12.943 1.00 0.00 H new ATOM 543 N ILE A 35 11.865 -12.668 16.322 1.00 0.00 N ATOM 544 CA ILE A 35 11.481 -13.061 17.672 1.00 0.00 C ATOM 545 C ILE A 35 12.594 -12.762 18.670 1.00 0.00 C ATOM 546 O ILE A 35 12.334 -12.469 19.837 1.00 0.00 O ATOM 547 CB ILE A 35 11.132 -14.560 17.743 1.00 0.00 C ATOM 548 CG1 ILE A 35 10.046 -14.902 16.722 1.00 0.00 C ATOM 549 CG2 ILE A 35 10.682 -14.933 19.148 1.00 0.00 C ATOM 550 CD1 ILE A 35 8.768 -14.115 16.911 1.00 0.00 C ATOM 0 H ILE A 35 12.113 -13.446 15.710 1.00 0.00 H new ATOM 0 HA ILE A 35 10.598 -12.477 17.932 1.00 0.00 H new ATOM 0 HB ILE A 35 12.025 -15.138 17.503 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.431 -14.718 15.719 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.820 -15.966 16.787 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.439 -15.995 19.182 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.484 -14.721 19.855 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.800 -14.350 19.414 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.044 -14.410 16.152 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.359 -14.317 17.901 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.979 -13.050 16.817 1.00 0.00 H new TER 562 ILE A 35