USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=11 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+ 162:sc= -0.119 (180deg=-0.609) USER MOD Single : A 7 LYS NZ :NH3+ -113:sc= 1.2 (180deg=-0.0214) USER MOD Single : A 10 ASN : amide:sc= -0.994 X(o=-0.99,f=-1.2) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc=-0.00133 K(o=-0.0013,f=-1.2) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0113) USER MOD Single : A 19 SER OG : rot 150:sc= 0.00817 USER MOD Single : A 20 SER OG : rot 34:sc= 0.73 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.8 USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 0.0049 (180deg=0.00429) USER MOD Single : A 28 THR OG1 : rot 154:sc= 1.44 USER MOD Single : A 32 LYS NZ :NH3+ -164:sc= 1.14 (180deg=0.698) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0154 K(o=-0.015,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.031 1.010 0.290 1.00 0.00 N ATOM 2 CA GLU A 1 2.730 0.391 -0.996 1.00 0.00 C ATOM 3 C GLU A 1 3.566 -0.869 -1.202 1.00 0.00 C ATOM 4 O GLU A 1 4.095 -1.106 -2.289 1.00 0.00 O ATOM 5 CB GLU A 1 2.987 1.379 -2.136 1.00 0.00 C ATOM 6 CG GLU A 1 4.354 2.039 -2.072 1.00 0.00 C ATOM 7 CD GLU A 1 4.526 3.127 -3.114 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.513 3.751 -3.492 1.00 0.00 O ATOM 9 OE2 GLU A 1 5.673 3.354 -3.552 1.00 0.00 O ATOM 0 H1 GLU A 1 2.700 1.996 0.287 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.550 0.486 1.049 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.058 0.990 0.453 1.00 0.00 H new ATOM 0 HA GLU A 1 1.676 0.112 -0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.889 0.856 -3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.218 2.152 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.501 2.465 -1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 1 5.126 1.282 -2.212 1.00 0.00 H new ATOM 16 N CYS A 2 3.681 -1.674 -0.151 1.00 0.00 N ATOM 17 CA CYS A 2 4.452 -2.910 -0.215 1.00 0.00 C ATOM 18 C CYS A 2 4.130 -3.814 0.972 1.00 0.00 C ATOM 19 O CYS A 2 3.761 -3.338 2.046 1.00 0.00 O ATOM 20 CB CYS A 2 5.950 -2.599 -0.241 1.00 0.00 C ATOM 21 SG CYS A 2 6.478 -1.375 1.000 1.00 0.00 S ATOM 0 H CYS A 2 3.250 -1.492 0.755 1.00 0.00 H new ATOM 0 HA CYS A 2 4.179 -3.433 -1.132 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.505 -3.524 -0.082 1.00 0.00 H new ATOM 0 HB3 CYS A 2 6.217 -2.233 -1.233 1.00 0.00 H new ATOM 26 N LEU A 3 4.272 -5.119 0.770 1.00 0.00 N ATOM 27 CA LEU A 3 3.997 -6.091 1.822 1.00 0.00 C ATOM 28 C LEU A 3 4.942 -5.896 3.004 1.00 0.00 C ATOM 29 O LEU A 3 6.038 -6.456 3.032 1.00 0.00 O ATOM 30 CB LEU A 3 4.130 -7.514 1.277 1.00 0.00 C ATOM 31 CG LEU A 3 5.366 -7.792 0.422 1.00 0.00 C ATOM 32 CD1 LEU A 3 6.374 -8.628 1.196 1.00 0.00 C ATOM 33 CD2 LEU A 3 4.973 -8.491 -0.872 1.00 0.00 C ATOM 0 H LEU A 3 4.576 -5.529 -0.113 1.00 0.00 H new ATOM 0 HA LEU A 3 2.975 -5.936 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.133 -8.206 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.244 -7.738 0.683 1.00 0.00 H new ATOM 0 HG LEU A 3 5.832 -6.839 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.247 -8.816 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.679 -8.091 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.919 -9.577 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.865 -8.681 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.483 -9.437 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.289 -7.856 -1.435 1.00 0.00 H new ATOM 45 N GLU A 4 4.509 -5.101 3.977 1.00 0.00 N ATOM 46 CA GLU A 4 5.317 -4.834 5.161 1.00 0.00 C ATOM 47 C GLU A 4 5.013 -5.842 6.266 1.00 0.00 C ATOM 48 O GLU A 4 5.482 -6.980 6.229 1.00 0.00 O ATOM 49 CB GLU A 4 5.065 -3.413 5.669 1.00 0.00 C ATOM 50 CG GLU A 4 5.744 -2.340 4.835 1.00 0.00 C ATOM 51 CD GLU A 4 5.243 -0.945 5.158 1.00 0.00 C ATOM 52 OE1 GLU A 4 4.556 -0.787 6.190 1.00 0.00 O ATOM 53 OE2 GLU A 4 5.537 -0.014 4.381 1.00 0.00 O ATOM 0 H GLU A 4 3.604 -4.631 3.969 1.00 0.00 H new ATOM 0 HA GLU A 4 6.366 -4.931 4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.991 -3.226 5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.415 -3.337 6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.820 -2.383 5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.576 -2.546 3.778 1.00 0.00 H new ATOM 60 N ILE A 5 4.225 -5.416 7.247 1.00 0.00 N ATOM 61 CA ILE A 5 3.857 -6.280 8.361 1.00 0.00 C ATOM 62 C ILE A 5 2.573 -7.047 8.061 1.00 0.00 C ATOM 63 O ILE A 5 1.641 -6.509 7.463 1.00 0.00 O ATOM 64 CB ILE A 5 3.668 -5.474 9.660 1.00 0.00 C ATOM 65 CG1 ILE A 5 3.541 -6.418 10.857 1.00 0.00 C ATOM 66 CG2 ILE A 5 2.445 -4.577 9.554 1.00 0.00 C ATOM 67 CD1 ILE A 5 4.842 -6.633 11.599 1.00 0.00 C ATOM 0 H ILE A 5 3.829 -4.477 7.293 1.00 0.00 H new ATOM 0 HA ILE A 5 4.676 -6.986 8.497 1.00 0.00 H new ATOM 0 HB ILE A 5 4.544 -4.843 9.810 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.800 -6.017 11.548 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.166 -7.381 10.511 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.325 -4.014 10.480 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.573 -3.884 8.722 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.559 -5.189 9.384 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.676 -7.313 12.435 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.580 -7.063 10.922 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.208 -5.678 11.975 1.00 0.00 H new ATOM 79 N PHE A 6 2.532 -8.307 8.482 1.00 0.00 N ATOM 80 CA PHE A 6 1.362 -9.149 8.260 1.00 0.00 C ATOM 81 C PHE A 6 1.005 -9.203 6.777 1.00 0.00 C ATOM 82 O PHE A 6 -0.110 -9.572 6.408 1.00 0.00 O ATOM 83 CB PHE A 6 0.170 -8.625 9.064 1.00 0.00 C ATOM 84 CG PHE A 6 0.437 -8.531 10.539 1.00 0.00 C ATOM 85 CD1 PHE A 6 0.638 -9.674 11.295 1.00 0.00 C ATOM 86 CD2 PHE A 6 0.488 -7.298 11.170 1.00 0.00 C ATOM 87 CE1 PHE A 6 0.884 -9.590 12.653 1.00 0.00 C ATOM 88 CE2 PHE A 6 0.734 -7.208 12.526 1.00 0.00 C ATOM 89 CZ PHE A 6 0.931 -8.356 13.269 1.00 0.00 C ATOM 0 H PHE A 6 3.295 -8.767 8.978 1.00 0.00 H new ATOM 0 HA PHE A 6 1.602 -10.158 8.595 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.106 -7.639 8.689 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.686 -9.280 8.899 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.602 -10.642 10.818 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.334 -6.397 10.595 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.039 -10.489 13.231 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.772 -6.241 13.005 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.121 -8.288 14.330 1.00 0.00 H new ATOM 99 N LYS A 7 1.960 -8.833 5.931 1.00 0.00 N ATOM 100 CA LYS A 7 1.749 -8.840 4.488 1.00 0.00 C ATOM 101 C LYS A 7 2.381 -10.073 3.852 1.00 0.00 C ATOM 102 O LYS A 7 3.548 -10.379 4.095 1.00 0.00 O ATOM 103 CB LYS A 7 2.334 -7.572 3.861 1.00 0.00 C ATOM 104 CG LYS A 7 1.795 -6.289 4.468 1.00 0.00 C ATOM 105 CD LYS A 7 0.324 -6.415 4.824 1.00 0.00 C ATOM 106 CE LYS A 7 -0.308 -5.054 5.074 1.00 0.00 C ATOM 107 NZ LYS A 7 -0.245 -4.668 6.511 1.00 0.00 N ATOM 0 H LYS A 7 2.888 -8.524 6.220 1.00 0.00 H new ATOM 0 HA LYS A 7 0.675 -8.868 4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.418 -7.589 3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.123 -7.575 2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.367 -6.041 5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.931 -5.468 3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.205 -6.920 4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.216 -7.036 5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.202 -4.301 4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.348 -5.071 4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.206 -4.645 6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.328 -5.362 7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.188 -3.726 6.599 1.00 0.00 H new ATOM 121 N ALA A 8 1.604 -10.776 3.035 1.00 0.00 N ATOM 122 CA ALA A 8 2.089 -11.974 2.361 1.00 0.00 C ATOM 123 C ALA A 8 3.211 -11.638 1.384 1.00 0.00 C ATOM 124 O ALA A 8 3.145 -10.639 0.667 1.00 0.00 O ATOM 125 CB ALA A 8 0.948 -12.671 1.636 1.00 0.00 C ATOM 0 H ALA A 8 0.635 -10.536 2.824 1.00 0.00 H new ATOM 0 HA ALA A 8 2.490 -12.649 3.117 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.325 -13.564 1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.179 -12.954 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.521 -11.995 0.895 1.00 0.00 H new ATOM 131 N CYS A 9 4.241 -12.477 1.362 1.00 0.00 N ATOM 132 CA CYS A 9 5.378 -12.269 0.474 1.00 0.00 C ATOM 133 C CYS A 9 5.404 -13.319 -0.633 1.00 0.00 C ATOM 134 O CYS A 9 5.094 -14.487 -0.403 1.00 0.00 O ATOM 135 CB CYS A 9 6.686 -12.316 1.267 1.00 0.00 C ATOM 136 SG CYS A 9 6.991 -13.906 2.103 1.00 0.00 S ATOM 0 H CYS A 9 4.311 -13.308 1.949 1.00 0.00 H new ATOM 0 HA CYS A 9 5.273 -11.286 0.015 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.516 -12.108 0.592 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.675 -11.521 2.013 1.00 0.00 H new ATOM 141 N ASN A 10 5.776 -12.893 -1.836 1.00 0.00 N ATOM 142 CA ASN A 10 5.842 -13.796 -2.980 1.00 0.00 C ATOM 143 C ASN A 10 6.998 -14.780 -2.830 1.00 0.00 C ATOM 144 O ASN A 10 8.023 -14.483 -2.216 1.00 0.00 O ATOM 145 CB ASN A 10 6.000 -13.000 -4.276 1.00 0.00 C ATOM 146 CG ASN A 10 4.817 -13.172 -5.209 1.00 0.00 C ATOM 147 OD1 ASN A 10 3.667 -13.213 -4.770 1.00 0.00 O ATOM 148 ND2 ASN A 10 5.093 -13.274 -6.503 1.00 0.00 N ATOM 0 H ASN A 10 6.036 -11.929 -2.044 1.00 0.00 H new ATOM 0 HA ASN A 10 4.910 -14.361 -3.020 1.00 0.00 H new ATOM 0 HB2 ASN A 10 6.120 -11.943 -4.038 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.910 -13.317 -4.785 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.337 -13.392 -7.178 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.061 -13.235 -6.823 1.00 0.00 H new ATOM 155 N PRO A 11 6.832 -15.981 -3.405 1.00 0.00 N ATOM 156 CA PRO A 11 7.851 -17.033 -3.350 1.00 0.00 C ATOM 157 C PRO A 11 9.080 -16.693 -4.187 1.00 0.00 C ATOM 158 O PRO A 11 10.167 -17.223 -3.955 1.00 0.00 O ATOM 159 CB PRO A 11 7.132 -18.254 -3.927 1.00 0.00 C ATOM 160 CG PRO A 11 6.068 -17.688 -4.803 1.00 0.00 C ATOM 161 CD PRO A 11 5.636 -16.403 -4.152 1.00 0.00 C ATOM 0 HA PRO A 11 8.228 -17.183 -2.338 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.817 -18.886 -4.493 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.707 -18.873 -3.137 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.446 -17.508 -5.809 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.230 -18.379 -4.896 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.340 -15.658 -4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.782 -16.554 -3.492 1.00 0.00 H new ATOM 169 N SER A 12 8.900 -15.807 -5.161 1.00 0.00 N ATOM 170 CA SER A 12 9.994 -15.400 -6.035 1.00 0.00 C ATOM 171 C SER A 12 10.716 -14.180 -5.470 1.00 0.00 C ATOM 172 O SER A 12 11.921 -14.018 -5.655 1.00 0.00 O ATOM 173 CB SER A 12 9.466 -15.089 -7.437 1.00 0.00 C ATOM 174 OG SER A 12 9.945 -16.029 -8.383 1.00 0.00 O ATOM 0 H SER A 12 8.007 -15.357 -5.365 1.00 0.00 H new ATOM 0 HA SER A 12 10.704 -16.225 -6.096 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.376 -15.100 -7.429 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.773 -14.085 -7.730 1.00 0.00 H new ATOM 0 HG SER A 12 9.592 -15.809 -9.270 1.00 0.00 H new ATOM 180 N ASN A 13 9.968 -13.325 -4.779 1.00 0.00 N ATOM 181 CA ASN A 13 10.536 -12.120 -4.187 1.00 0.00 C ATOM 182 C ASN A 13 10.973 -12.375 -2.747 1.00 0.00 C ATOM 183 O ASN A 13 12.165 -12.368 -2.439 1.00 0.00 O ATOM 184 CB ASN A 13 9.517 -10.978 -4.227 1.00 0.00 C ATOM 185 CG ASN A 13 9.367 -10.387 -5.616 1.00 0.00 C ATOM 186 OD1 ASN A 13 9.964 -10.871 -6.577 1.00 0.00 O ATOM 187 ND2 ASN A 13 8.566 -9.334 -5.726 1.00 0.00 N ATOM 0 H ASN A 13 8.968 -13.445 -4.616 1.00 0.00 H new ATOM 0 HA ASN A 13 11.413 -11.837 -4.770 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.550 -11.345 -3.885 1.00 0.00 H new ATOM 0 HB3 ASN A 13 9.824 -10.196 -3.533 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.426 -8.893 -6.635 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.091 -8.966 -4.902 1.00 0.00 H new ATOM 194 N ASP A 14 10.000 -12.601 -1.871 1.00 0.00 N ATOM 195 CA ASP A 14 10.284 -12.860 -0.464 1.00 0.00 C ATOM 196 C ASP A 14 10.960 -11.656 0.185 1.00 0.00 C ATOM 197 O ASP A 14 10.968 -11.523 1.408 1.00 0.00 O ATOM 198 CB ASP A 14 11.171 -14.098 -0.321 1.00 0.00 C ATOM 199 CG ASP A 14 11.016 -14.768 1.030 1.00 0.00 C ATOM 200 OD1 ASP A 14 11.714 -14.357 1.980 1.00 0.00 O ATOM 201 OD2 ASP A 14 10.196 -15.705 1.137 1.00 0.00 O ATOM 0 H ASP A 14 9.008 -12.610 -2.110 1.00 0.00 H new ATOM 0 HA ASP A 14 9.337 -13.040 0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 14 10.924 -14.811 -1.107 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.213 -13.813 -0.465 1.00 0.00 H new ATOM 206 N GLN A 15 11.527 -10.785 -0.643 1.00 0.00 N ATOM 207 CA GLN A 15 12.207 -9.593 -0.149 1.00 0.00 C ATOM 208 C GLN A 15 11.207 -8.596 0.428 1.00 0.00 C ATOM 209 O GLN A 15 10.662 -7.760 -0.292 1.00 0.00 O ATOM 210 CB GLN A 15 13.010 -8.936 -1.272 1.00 0.00 C ATOM 211 CG GLN A 15 13.871 -9.913 -2.056 1.00 0.00 C ATOM 212 CD GLN A 15 15.115 -9.264 -2.630 1.00 0.00 C ATOM 213 OE1 GLN A 15 15.056 -8.169 -3.192 1.00 0.00 O ATOM 214 NE2 GLN A 15 16.252 -9.937 -2.493 1.00 0.00 N ATOM 0 H GLN A 15 11.529 -10.882 -1.658 1.00 0.00 H new ATOM 0 HA GLN A 15 12.889 -9.897 0.645 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.322 -8.440 -1.957 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.649 -8.162 -0.846 1.00 0.00 H new ATOM 0 HG2 GLN A 15 14.163 -10.737 -1.405 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.282 -10.341 -2.867 1.00 0.00 H new ATOM 0 HE21 GLN A 15 16.256 -10.841 -2.021 1.00 0.00 H new ATOM 0 HE22 GLN A 15 17.121 -9.550 -2.860 1.00 0.00 H new ATOM 223 N CYS A 16 10.971 -8.690 1.733 1.00 0.00 N ATOM 224 CA CYS A 16 10.037 -7.798 2.408 1.00 0.00 C ATOM 225 C CYS A 16 10.474 -6.343 2.264 1.00 0.00 C ATOM 226 O CYS A 16 11.667 -6.047 2.182 1.00 0.00 O ATOM 227 CB CYS A 16 9.927 -8.165 3.889 1.00 0.00 C ATOM 228 SG CYS A 16 8.255 -7.963 4.583 1.00 0.00 S ATOM 0 H CYS A 16 11.415 -9.376 2.344 1.00 0.00 H new ATOM 0 HA CYS A 16 9.060 -7.914 1.939 1.00 0.00 H new ATOM 0 HB2 CYS A 16 10.240 -9.201 4.020 1.00 0.00 H new ATOM 0 HB3 CYS A 16 10.622 -7.547 4.458 1.00 0.00 H new ATOM 233 N CYS A 17 9.501 -5.438 2.235 1.00 0.00 N ATOM 234 CA CYS A 17 9.784 -4.014 2.102 1.00 0.00 C ATOM 235 C CYS A 17 10.821 -3.567 3.128 1.00 0.00 C ATOM 236 O CYS A 17 10.909 -4.125 4.222 1.00 0.00 O ATOM 237 CB CYS A 17 8.500 -3.200 2.269 1.00 0.00 C ATOM 238 SG CYS A 17 8.466 -1.657 1.302 1.00 0.00 S ATOM 0 H CYS A 17 8.509 -5.666 2.302 1.00 0.00 H new ATOM 0 HA CYS A 17 10.188 -3.841 1.105 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.651 -3.818 1.977 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.371 -2.958 3.324 1.00 0.00 H new ATOM 243 N LYS A 18 11.603 -2.555 2.768 1.00 0.00 N ATOM 244 CA LYS A 18 12.633 -2.030 3.657 1.00 0.00 C ATOM 245 C LYS A 18 12.041 -1.030 4.645 1.00 0.00 C ATOM 246 O LYS A 18 12.755 -0.461 5.471 1.00 0.00 O ATOM 247 CB LYS A 18 13.745 -1.363 2.845 1.00 0.00 C ATOM 248 CG LYS A 18 14.860 -2.313 2.445 1.00 0.00 C ATOM 249 CD LYS A 18 14.527 -3.057 1.163 1.00 0.00 C ATOM 250 CE LYS A 18 14.866 -2.229 -0.066 1.00 0.00 C ATOM 251 NZ LYS A 18 16.327 -2.235 -0.353 1.00 0.00 N ATOM 0 H LYS A 18 11.543 -2.082 1.866 1.00 0.00 H new ATOM 0 HA LYS A 18 13.052 -2.865 4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.313 -0.924 1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.168 -0.545 3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.786 -1.753 2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.034 -3.030 3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.078 -3.997 1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.467 -3.309 1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.325 -2.620 -0.928 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.529 -1.203 0.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.506 -1.745 -1.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.833 -1.747 0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.664 -3.217 -0.420 1.00 0.00 H new ATOM 265 N SER A 19 10.731 -0.822 4.556 1.00 0.00 N ATOM 266 CA SER A 19 10.043 0.111 5.441 1.00 0.00 C ATOM 267 C SER A 19 10.197 -0.311 6.900 1.00 0.00 C ATOM 268 O SER A 19 10.128 0.518 7.807 1.00 0.00 O ATOM 269 CB SER A 19 8.560 0.194 5.076 1.00 0.00 C ATOM 270 OG SER A 19 7.772 0.509 6.211 1.00 0.00 O ATOM 0 H SER A 19 10.125 -1.287 3.880 1.00 0.00 H new ATOM 0 HA SER A 19 10.496 1.094 5.315 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.414 0.952 4.306 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.232 -0.756 4.654 1.00 0.00 H new ATOM 0 HG SER A 19 6.979 1.011 5.929 1.00 0.00 H new ATOM 276 N SER A 20 10.405 -1.605 7.116 1.00 0.00 N ATOM 277 CA SER A 20 10.565 -2.139 8.464 1.00 0.00 C ATOM 278 C SER A 20 11.246 -3.503 8.431 1.00 0.00 C ATOM 279 O SER A 20 11.100 -4.261 7.471 1.00 0.00 O ATOM 280 CB SER A 20 9.204 -2.252 9.155 1.00 0.00 C ATOM 281 OG SER A 20 8.864 -1.044 9.813 1.00 0.00 O ATOM 0 H SER A 20 10.467 -2.304 6.375 1.00 0.00 H new ATOM 0 HA SER A 20 11.195 -1.452 9.028 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.438 -2.497 8.419 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.226 -3.069 9.876 1.00 0.00 H new ATOM 0 HG SER A 20 9.220 -0.284 9.306 1.00 0.00 H new ATOM 287 N LYS A 21 11.992 -3.811 9.487 1.00 0.00 N ATOM 288 CA LYS A 21 12.696 -5.084 9.582 1.00 0.00 C ATOM 289 C LYS A 21 11.715 -6.235 9.779 1.00 0.00 C ATOM 290 O LYS A 21 11.236 -6.473 10.889 1.00 0.00 O ATOM 291 CB LYS A 21 13.699 -5.051 10.738 1.00 0.00 C ATOM 292 CG LYS A 21 14.706 -6.187 10.702 1.00 0.00 C ATOM 293 CD LYS A 21 15.918 -5.885 11.569 1.00 0.00 C ATOM 294 CE LYS A 21 16.845 -4.882 10.901 1.00 0.00 C ATOM 295 NZ LYS A 21 17.738 -5.531 9.901 1.00 0.00 N ATOM 0 H LYS A 21 12.124 -3.196 10.290 1.00 0.00 H new ATOM 0 HA LYS A 21 13.233 -5.244 8.647 1.00 0.00 H new ATOM 0 HB2 LYS A 21 14.234 -4.102 10.717 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.155 -5.089 11.682 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.232 -7.106 11.046 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.026 -6.358 9.674 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.589 -5.493 12.532 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.462 -6.808 11.769 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.252 -4.110 10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.450 -4.386 11.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.354 -4.813 9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.323 -6.250 10.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.162 -5.983 9.163 1.00 0.00 H new ATOM 309 N LEU A 22 11.421 -6.948 8.698 1.00 0.00 N ATOM 310 CA LEU A 22 10.498 -8.076 8.753 1.00 0.00 C ATOM 311 C LEU A 22 11.016 -9.245 7.920 1.00 0.00 C ATOM 312 O LEU A 22 11.712 -9.050 6.923 1.00 0.00 O ATOM 313 CB LEU A 22 9.115 -7.653 8.254 1.00 0.00 C ATOM 314 CG LEU A 22 8.494 -6.440 8.947 1.00 0.00 C ATOM 315 CD1 LEU A 22 7.605 -5.671 7.982 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.704 -6.873 10.173 1.00 0.00 C ATOM 0 H LEU A 22 11.808 -6.765 7.772 1.00 0.00 H new ATOM 0 HA LEU A 22 10.420 -8.400 9.791 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.185 -7.441 7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.436 -8.498 8.367 1.00 0.00 H new ATOM 0 HG LEU A 22 9.298 -5.780 9.272 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.172 -4.811 8.493 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.199 -5.328 7.135 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.806 -6.322 7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.269 -5.997 10.654 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.908 -7.554 9.871 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.368 -7.379 10.874 1.00 0.00 H new ATOM 328 N VAL A 23 10.670 -10.459 8.334 1.00 0.00 N ATOM 329 CA VAL A 23 11.096 -11.659 7.624 1.00 0.00 C ATOM 330 C VAL A 23 9.928 -12.614 7.406 1.00 0.00 C ATOM 331 O VAL A 23 8.990 -12.658 8.203 1.00 0.00 O ATOM 332 CB VAL A 23 12.211 -12.397 8.389 1.00 0.00 C ATOM 333 CG1 VAL A 23 13.526 -11.641 8.277 1.00 0.00 C ATOM 334 CG2 VAL A 23 11.820 -12.588 9.847 1.00 0.00 C ATOM 0 H VAL A 23 10.096 -10.638 9.158 1.00 0.00 H new ATOM 0 HA VAL A 23 11.481 -11.334 6.657 1.00 0.00 H new ATOM 0 HB VAL A 23 12.345 -13.381 7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.302 -12.177 8.824 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.811 -11.560 7.228 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.409 -10.643 8.699 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.619 -13.111 10.372 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.657 -11.615 10.310 1.00 0.00 H new ATOM 0 HG23 VAL A 23 10.903 -13.175 9.904 1.00 0.00 H new ATOM 344 N CYS A 24 9.989 -13.378 6.320 1.00 0.00 N ATOM 345 CA CYS A 24 8.937 -14.332 5.996 1.00 0.00 C ATOM 346 C CYS A 24 9.520 -15.589 5.356 1.00 0.00 C ATOM 347 O CYS A 24 8.798 -16.388 4.760 1.00 0.00 O ATOM 348 CB CYS A 24 7.914 -13.695 5.053 1.00 0.00 C ATOM 349 SG CYS A 24 8.506 -13.491 3.342 1.00 0.00 S ATOM 0 H CYS A 24 10.757 -13.354 5.649 1.00 0.00 H new ATOM 0 HA CYS A 24 8.440 -14.615 6.924 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.013 -14.308 5.044 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.631 -12.719 5.447 1.00 0.00 H new ATOM 354 N SER A 25 10.833 -15.757 5.485 1.00 0.00 N ATOM 355 CA SER A 25 11.515 -16.914 4.917 1.00 0.00 C ATOM 356 C SER A 25 10.898 -18.213 5.428 1.00 0.00 C ATOM 357 O SER A 25 10.172 -18.894 4.703 1.00 0.00 O ATOM 358 CB SER A 25 13.005 -16.874 5.262 1.00 0.00 C ATOM 359 OG SER A 25 13.555 -18.180 5.299 1.00 0.00 O ATOM 0 H SER A 25 11.445 -15.107 5.978 1.00 0.00 H new ATOM 0 HA SER A 25 11.399 -16.878 3.834 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.536 -16.273 4.524 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.145 -16.389 6.228 1.00 0.00 H new ATOM 0 HG SER A 25 14.508 -18.127 5.520 1.00 0.00 H new ATOM 365 N ARG A 26 11.192 -18.549 6.679 1.00 0.00 N ATOM 366 CA ARG A 26 10.668 -19.766 7.287 1.00 0.00 C ATOM 367 C ARG A 26 9.441 -19.462 8.141 1.00 0.00 C ATOM 368 O ARG A 26 8.643 -20.351 8.440 1.00 0.00 O ATOM 369 CB ARG A 26 11.744 -20.438 8.142 1.00 0.00 C ATOM 370 CG ARG A 26 13.125 -20.422 7.507 1.00 0.00 C ATOM 371 CD ARG A 26 14.178 -20.984 8.449 1.00 0.00 C ATOM 372 NE ARG A 26 15.346 -21.483 7.729 1.00 0.00 N ATOM 373 CZ ARG A 26 16.343 -22.140 8.312 1.00 0.00 C ATOM 374 NH1 ARG A 26 16.312 -22.377 9.616 1.00 0.00 N ATOM 375 NH2 ARG A 26 17.372 -22.563 7.589 1.00 0.00 N ATOM 0 H ARG A 26 11.791 -17.995 7.292 1.00 0.00 H new ATOM 0 HA ARG A 26 10.373 -20.445 6.487 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.792 -19.938 9.109 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.453 -21.471 8.332 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.110 -21.006 6.586 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.389 -19.401 7.233 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.488 -20.209 9.150 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.743 -21.791 9.038 1.00 0.00 H new ATOM 0 HE ARG A 26 15.400 -21.318 6.724 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.521 -22.055 10.174 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.079 -22.882 10.061 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.398 -22.384 6.585 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.137 -23.067 8.037 1.00 0.00 H new ATOM 389 N LYS A 27 9.296 -18.200 8.532 1.00 0.00 N ATOM 390 CA LYS A 27 8.166 -17.777 9.351 1.00 0.00 C ATOM 391 C LYS A 27 6.850 -17.965 8.602 1.00 0.00 C ATOM 392 O LYS A 27 6.806 -18.612 7.556 1.00 0.00 O ATOM 393 CB LYS A 27 8.327 -16.312 9.761 1.00 0.00 C ATOM 394 CG LYS A 27 9.686 -15.994 10.360 1.00 0.00 C ATOM 395 CD LYS A 27 9.631 -14.757 11.242 1.00 0.00 C ATOM 396 CE LYS A 27 8.832 -15.013 12.510 1.00 0.00 C ATOM 397 NZ LYS A 27 9.212 -14.076 13.604 1.00 0.00 N ATOM 0 H LYS A 27 9.948 -17.452 8.295 1.00 0.00 H new ATOM 0 HA LYS A 27 8.146 -18.398 10.246 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.167 -15.679 8.888 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.552 -16.059 10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.034 -16.845 10.946 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.410 -15.840 9.560 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.644 -14.450 11.504 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.182 -13.933 10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.768 -14.909 12.296 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.992 -16.040 12.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.682 -14.316 14.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.232 -14.156 13.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.988 -13.101 13.320 1.00 0.00 H new ATOM 411 N THR A 28 5.779 -17.394 9.144 1.00 0.00 N ATOM 412 CA THR A 28 4.463 -17.498 8.528 1.00 0.00 C ATOM 413 C THR A 28 4.465 -16.904 7.124 1.00 0.00 C ATOM 414 O THR A 28 5.416 -16.231 6.726 1.00 0.00 O ATOM 415 CB THR A 28 3.389 -16.787 9.372 1.00 0.00 C ATOM 416 OG1 THR A 28 3.979 -15.711 10.110 1.00 0.00 O ATOM 417 CG2 THR A 28 2.723 -17.762 10.333 1.00 0.00 C ATOM 0 H THR A 28 5.798 -16.854 10.009 1.00 0.00 H new ATOM 0 HA THR A 28 4.224 -18.560 8.470 1.00 0.00 H new ATOM 0 HB THR A 28 2.631 -16.391 8.697 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.299 -15.031 10.297 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.968 -17.237 10.919 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.250 -18.565 9.767 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.473 -18.183 11.002 1.00 0.00 H new ATOM 425 N ARG A 29 3.394 -17.156 6.378 1.00 0.00 N ATOM 426 CA ARG A 29 3.273 -16.646 5.018 1.00 0.00 C ATOM 427 C ARG A 29 3.332 -15.121 5.002 1.00 0.00 C ATOM 428 O ARG A 29 3.611 -14.511 3.969 1.00 0.00 O ATOM 429 CB ARG A 29 1.965 -17.123 4.386 1.00 0.00 C ATOM 430 CG ARG A 29 2.065 -18.495 3.740 1.00 0.00 C ATOM 431 CD ARG A 29 0.766 -18.884 3.053 1.00 0.00 C ATOM 432 NE ARG A 29 0.612 -18.225 1.758 1.00 0.00 N ATOM 433 CZ ARG A 29 -0.227 -18.642 0.817 1.00 0.00 C ATOM 434 NH1 ARG A 29 -0.984 -19.710 1.024 1.00 0.00 N ATOM 435 NH2 ARG A 29 -0.310 -17.989 -0.336 1.00 0.00 N ATOM 0 H ARG A 29 2.598 -17.710 6.693 1.00 0.00 H new ATOM 0 HA ARG A 29 4.111 -17.031 4.437 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.189 -17.147 5.151 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.649 -16.399 3.635 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.877 -18.498 3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.313 -19.238 4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.739 -19.965 2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.076 -18.623 3.695 1.00 0.00 H new ATOM 0 HE ARG A 29 1.180 -17.400 1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.923 -20.215 1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.627 -20.027 0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.271 -17.167 -0.499 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.955 -18.310 -1.058 1.00 0.00 H new ATOM 449 N TRP A 30 3.066 -14.512 6.152 1.00 0.00 N ATOM 450 CA TRP A 30 3.088 -13.059 6.270 1.00 0.00 C ATOM 451 C TRP A 30 4.352 -12.589 6.983 1.00 0.00 C ATOM 452 O TRP A 30 4.820 -13.230 7.924 1.00 0.00 O ATOM 453 CB TRP A 30 1.851 -12.569 7.024 1.00 0.00 C ATOM 454 CG TRP A 30 1.690 -13.200 8.374 1.00 0.00 C ATOM 455 CD1 TRP A 30 2.198 -12.745 9.557 1.00 0.00 C ATOM 456 CD2 TRP A 30 0.973 -14.401 8.679 1.00 0.00 C ATOM 457 NE1 TRP A 30 1.841 -13.591 10.579 1.00 0.00 N ATOM 458 CE2 TRP A 30 1.089 -14.615 10.066 1.00 0.00 C ATOM 459 CE3 TRP A 30 0.244 -15.317 7.915 1.00 0.00 C ATOM 460 CZ2 TRP A 30 0.503 -15.706 10.703 1.00 0.00 C ATOM 461 CZ3 TRP A 30 -0.336 -16.399 8.548 1.00 0.00 C ATOM 462 CH2 TRP A 30 -0.205 -16.586 9.930 1.00 0.00 C ATOM 0 H TRP A 30 2.833 -15.002 7.016 1.00 0.00 H new ATOM 0 HA TRP A 30 3.083 -12.638 5.265 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.911 -11.487 7.141 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.964 -12.776 6.426 1.00 0.00 H new ATOM 0 HD1 TRP A 30 2.793 -11.851 9.672 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.095 -13.476 11.560 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.136 -15.181 6.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 0.604 -15.852 11.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.900 -17.113 7.967 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -0.672 -17.442 10.395 1.00 0.00 H new ATOM 473 N CYS A 31 4.900 -11.467 6.528 1.00 0.00 N ATOM 474 CA CYS A 31 6.110 -10.912 7.122 1.00 0.00 C ATOM 475 C CYS A 31 5.894 -10.590 8.598 1.00 0.00 C ATOM 476 O CYS A 31 4.872 -10.017 8.977 1.00 0.00 O ATOM 477 CB CYS A 31 6.539 -9.650 6.371 1.00 0.00 C ATOM 478 SG CYS A 31 7.744 -9.950 5.038 1.00 0.00 S ATOM 0 H CYS A 31 4.525 -10.925 5.750 1.00 0.00 H new ATOM 0 HA CYS A 31 6.899 -11.660 7.043 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.655 -9.175 5.946 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.969 -8.945 7.083 1.00 0.00 H new ATOM 483 N LYS A 32 6.863 -10.963 9.427 1.00 0.00 N ATOM 484 CA LYS A 32 6.781 -10.714 10.861 1.00 0.00 C ATOM 485 C LYS A 32 8.140 -10.306 11.421 1.00 0.00 C ATOM 486 O LYS A 32 9.181 -10.722 10.913 1.00 0.00 O ATOM 487 CB LYS A 32 6.271 -11.961 11.588 1.00 0.00 C ATOM 488 CG LYS A 32 4.762 -12.123 11.533 1.00 0.00 C ATOM 489 CD LYS A 32 4.159 -12.206 12.926 1.00 0.00 C ATOM 490 CE LYS A 32 4.066 -10.834 13.576 1.00 0.00 C ATOM 491 NZ LYS A 32 5.221 -10.568 14.478 1.00 0.00 N ATOM 0 H LYS A 32 7.715 -11.439 9.130 1.00 0.00 H new ATOM 0 HA LYS A 32 6.080 -9.895 11.023 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.739 -12.843 11.151 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.585 -11.917 12.631 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.324 -11.282 10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.512 -13.024 10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.165 -12.650 12.868 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.766 -12.864 13.548 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.026 -10.068 12.802 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.138 -10.763 14.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.998 -9.765 15.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.411 -11.411 15.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.061 -10.342 13.909 1.00 0.00 H new ATOM 505 N TYR A 33 8.122 -9.493 12.471 1.00 0.00 N ATOM 506 CA TYR A 33 9.353 -9.028 13.099 1.00 0.00 C ATOM 507 C TYR A 33 10.015 -10.149 13.895 1.00 0.00 C ATOM 508 O TYR A 33 9.340 -11.039 14.413 1.00 0.00 O ATOM 509 CB TYR A 33 9.065 -7.838 14.016 1.00 0.00 C ATOM 510 CG TYR A 33 7.902 -8.065 14.956 1.00 0.00 C ATOM 511 CD1 TYR A 33 7.979 -9.011 15.971 1.00 0.00 C ATOM 512 CD2 TYR A 33 6.728 -7.334 14.828 1.00 0.00 C ATOM 513 CE1 TYR A 33 6.919 -9.222 16.831 1.00 0.00 C ATOM 514 CE2 TYR A 33 5.663 -7.538 15.685 1.00 0.00 C ATOM 515 CZ TYR A 33 5.764 -8.483 16.685 1.00 0.00 C ATOM 516 OH TYR A 33 4.705 -8.690 17.539 1.00 0.00 O ATOM 0 H TYR A 33 7.268 -9.142 12.905 1.00 0.00 H new ATOM 0 HA TYR A 33 10.037 -8.713 12.311 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.957 -7.617 14.602 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.860 -6.960 13.404 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.882 -9.591 16.089 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.646 -6.594 14.046 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.994 -9.962 17.614 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.757 -6.961 15.572 1.00 0.00 H new ATOM 0 HH TYR A 33 3.970 -8.088 17.300 1.00 0.00 H new ATOM 526 N GLN A 34 11.340 -10.098 13.987 1.00 0.00 N ATOM 527 CA GLN A 34 12.094 -11.108 14.720 1.00 0.00 C ATOM 528 C GLN A 34 12.347 -10.663 16.156 1.00 0.00 C ATOM 529 O GLN A 34 12.613 -9.489 16.415 1.00 0.00 O ATOM 530 CB GLN A 34 13.424 -11.390 14.018 1.00 0.00 C ATOM 531 CG GLN A 34 14.249 -10.141 13.755 1.00 0.00 C ATOM 532 CD GLN A 34 15.711 -10.451 13.498 1.00 0.00 C ATOM 533 OE1 GLN A 34 16.102 -11.614 13.397 1.00 0.00 O ATOM 534 NE2 GLN A 34 16.527 -9.409 13.389 1.00 0.00 N ATOM 0 H GLN A 34 11.913 -9.368 13.563 1.00 0.00 H new ATOM 0 HA GLN A 34 11.502 -12.023 14.742 1.00 0.00 H new ATOM 0 HB2 GLN A 34 14.008 -12.080 14.627 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.226 -11.891 13.070 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.837 -9.612 12.895 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.169 -9.470 14.610 1.00 0.00 H new ATOM 0 HE21 GLN A 34 16.160 -8.462 13.480 1.00 0.00 H new ATOM 0 HE22 GLN A 34 17.521 -9.556 13.215 1.00 0.00 H new ATOM 543 N ILE A 35 12.263 -11.608 17.086 1.00 0.00 N ATOM 544 CA ILE A 35 12.484 -11.313 18.497 1.00 0.00 C ATOM 545 C ILE A 35 13.877 -11.748 18.937 1.00 0.00 C ATOM 546 O ILE A 35 14.275 -12.895 18.733 1.00 0.00 O ATOM 547 CB ILE A 35 11.436 -12.007 19.388 1.00 0.00 C ATOM 548 CG1 ILE A 35 10.023 -11.643 18.928 1.00 0.00 C ATOM 549 CG2 ILE A 35 11.641 -11.620 20.845 1.00 0.00 C ATOM 550 CD1 ILE A 35 8.940 -12.460 19.598 1.00 0.00 C ATOM 0 H ILE A 35 12.044 -12.584 16.888 1.00 0.00 H new ATOM 0 HA ILE A 35 12.389 -10.233 18.613 1.00 0.00 H new ATOM 0 HB ILE A 35 11.560 -13.086 19.298 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.846 -10.586 19.128 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.955 -11.779 17.849 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.893 -12.118 21.462 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.637 -11.924 21.166 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.539 -10.540 20.952 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.965 -12.148 19.224 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.092 -13.517 19.377 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.982 -12.305 20.676 1.00 0.00 H new TER 562 ILE A 35