USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 232 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 NoAdj-H: A 26 HIS HE2 : A 26 HIS NE2 : A 36 ZNZN :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 36 ZNZN :(H bumps) USER MOD Set 1.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 19 THR OG1 : rot 180:sc= -0.317 USER MOD Set 1.3: A 22 ASN : amide:sc= -0.413 X(o=-0.73,f=-0.53!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -12:sc= 0.845 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 101:sc= 1.4 USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= -0.0768 (180deg=-0.354) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.217 -10.861 8.640 1.00 0.00 N ATOM 2 CA GLY A 1 -11.288 -9.974 8.127 1.00 0.00 C ATOM 3 C GLY A 1 -11.998 -10.577 6.937 1.00 0.00 C ATOM 4 O GLY A 1 -11.357 -11.128 6.042 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.755 -10.411 9.456 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.630 -11.769 8.933 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.514 -11.026 7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.010 -9.780 8.920 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.859 -9.013 7.845 1.00 0.00 H new ATOM 10 N SER A 2 -13.320 -10.483 6.932 1.00 0.00 N ATOM 11 CA SER A 2 -14.129 -11.026 5.852 1.00 0.00 C ATOM 12 C SER A 2 -13.814 -10.328 4.531 1.00 0.00 C ATOM 13 O SER A 2 -13.587 -10.983 3.516 1.00 0.00 O ATOM 14 CB SER A 2 -15.611 -10.872 6.190 1.00 0.00 C ATOM 15 OG SER A 2 -16.435 -11.372 5.154 1.00 0.00 O ATOM 0 H SER A 2 -13.858 -10.031 7.671 1.00 0.00 H new ATOM 0 HA SER A 2 -13.893 -12.084 5.740 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.830 -11.401 7.118 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.839 -9.820 6.361 1.00 0.00 H new ATOM 0 HG SER A 2 -17.376 -11.260 5.402 1.00 0.00 H new ATOM 20 N SER A 3 -13.783 -9.000 4.558 1.00 0.00 N ATOM 21 CA SER A 3 -13.483 -8.203 3.373 1.00 0.00 C ATOM 22 C SER A 3 -13.087 -6.792 3.783 1.00 0.00 C ATOM 23 O SER A 3 -13.701 -6.198 4.672 1.00 0.00 O ATOM 24 CB SER A 3 -14.690 -8.158 2.422 1.00 0.00 C ATOM 25 OG SER A 3 -15.015 -9.456 1.947 1.00 0.00 O ATOM 0 H SER A 3 -13.964 -8.448 5.396 1.00 0.00 H new ATOM 0 HA SER A 3 -12.651 -8.670 2.846 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.549 -7.731 2.940 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.468 -7.504 1.579 1.00 0.00 H new ATOM 0 HG SER A 3 -14.291 -10.077 2.171 1.00 0.00 H new ATOM 30 N GLY A 4 -12.016 -6.296 3.174 1.00 0.00 N ATOM 31 CA GLY A 4 -11.490 -4.989 3.517 1.00 0.00 C ATOM 32 C GLY A 4 -12.312 -3.846 2.951 1.00 0.00 C ATOM 33 O GLY A 4 -13.545 -3.867 3.003 1.00 0.00 O ATOM 0 H GLY A 4 -11.499 -6.782 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.448 -4.895 4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.467 -4.909 3.150 1.00 0.00 H new ATOM 37 N LYS A 5 -11.614 -2.874 2.372 1.00 0.00 N ATOM 38 CA LYS A 5 -12.235 -1.721 1.735 1.00 0.00 C ATOM 39 C LYS A 5 -11.179 -0.858 1.027 1.00 0.00 C ATOM 40 O LYS A 5 -10.081 -1.323 0.741 1.00 0.00 O ATOM 41 CB LYS A 5 -13.042 -0.897 2.756 1.00 0.00 C ATOM 42 CG LYS A 5 -12.288 -0.546 4.030 1.00 0.00 C ATOM 43 CD LYS A 5 -13.124 0.338 4.943 1.00 0.00 C ATOM 44 CE LYS A 5 -14.419 -0.344 5.361 1.00 0.00 C ATOM 45 NZ LYS A 5 -15.261 0.540 6.208 1.00 0.00 N ATOM 0 H LYS A 5 -10.595 -2.866 2.332 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.932 -2.081 0.979 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.370 0.026 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.940 -1.454 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.015 -1.460 4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.359 -0.035 3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.545 0.594 5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.354 1.273 4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.979 -0.636 4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.188 -1.258 5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.134 0.039 6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.737 0.799 7.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.503 1.401 5.678 1.00 0.00 H new ATOM 55 N ARG A 6 -11.598 0.307 0.572 1.00 0.00 N ATOM 56 CA ARG A 6 -10.785 1.141 -0.319 1.00 0.00 C ATOM 57 C ARG A 6 -9.633 1.927 0.360 1.00 0.00 C ATOM 58 O ARG A 6 -8.596 2.138 -0.275 1.00 0.00 O ATOM 59 CB ARG A 6 -11.710 2.086 -1.086 1.00 0.00 C ATOM 60 CG ARG A 6 -11.002 3.007 -2.062 1.00 0.00 C ATOM 61 CD ARG A 6 -10.197 2.242 -3.108 1.00 0.00 C ATOM 62 NE ARG A 6 -9.578 3.155 -4.069 1.00 0.00 N ATOM 63 CZ ARG A 6 -10.273 3.907 -4.926 1.00 0.00 C ATOM 64 NH1 ARG A 6 -11.565 3.673 -5.125 1.00 0.00 N ATOM 65 NH2 ARG A 6 -9.668 4.859 -5.620 1.00 0.00 N ATOM 0 H ARG A 6 -12.507 0.709 0.803 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.270 0.454 -0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -12.442 1.492 -1.633 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -12.263 2.693 -0.369 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.738 3.635 -2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -10.337 3.672 -1.512 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.426 1.650 -2.616 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.848 1.544 -3.633 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.560 3.221 -4.085 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -12.030 2.917 -4.622 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -12.093 4.250 -5.780 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.668 5.020 -5.501 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.202 5.431 -6.274 1.00 0.00 H new ATOM 76 N PRO A 7 -9.788 2.440 1.600 1.00 0.00 N ATOM 77 CA PRO A 7 -8.747 3.267 2.269 1.00 0.00 C ATOM 78 C PRO A 7 -7.475 2.498 2.655 1.00 0.00 C ATOM 79 O PRO A 7 -6.732 2.919 3.543 1.00 0.00 O ATOM 80 CB PRO A 7 -9.465 3.724 3.540 1.00 0.00 C ATOM 81 CG PRO A 7 -10.434 2.628 3.791 1.00 0.00 C ATOM 82 CD PRO A 7 -10.982 2.329 2.438 1.00 0.00 C ATOM 0 HA PRO A 7 -8.392 4.058 1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -8.772 3.848 4.372 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -9.967 4.681 3.398 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.948 1.756 4.229 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.218 2.937 4.482 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.426 1.335 2.387 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.755 3.039 2.144 1.00 0.00 H new ATOM 87 N PHE A 8 -7.221 1.388 1.988 1.00 0.00 N ATOM 88 CA PHE A 8 -6.038 0.572 2.257 1.00 0.00 C ATOM 89 C PHE A 8 -4.864 0.985 1.376 1.00 0.00 C ATOM 90 O PHE A 8 -4.269 0.152 0.694 1.00 0.00 O ATOM 91 CB PHE A 8 -6.347 -0.908 2.044 1.00 0.00 C ATOM 92 CG PHE A 8 -7.358 -1.483 2.992 1.00 0.00 C ATOM 93 CD1 PHE A 8 -8.222 -0.672 3.703 1.00 0.00 C ATOM 94 CD2 PHE A 8 -7.433 -2.847 3.171 1.00 0.00 C ATOM 95 CE1 PHE A 8 -9.141 -1.210 4.572 1.00 0.00 C ATOM 96 CE2 PHE A 8 -8.351 -3.397 4.037 1.00 0.00 C ATOM 97 CZ PHE A 8 -9.208 -2.574 4.741 1.00 0.00 C ATOM 0 H PHE A 8 -7.821 1.023 1.248 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.759 0.734 3.298 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.706 -1.047 1.024 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.421 -1.475 2.135 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.174 0.399 3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.762 -3.494 2.624 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.809 -0.563 5.121 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.401 -4.468 4.165 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.929 -3.000 5.423 1.00 0.00 H new ATOM 106 N VAL A 9 -4.559 2.272 1.356 1.00 0.00 N ATOM 107 CA VAL A 9 -3.478 2.771 0.522 1.00 0.00 C ATOM 108 C VAL A 9 -2.124 2.481 1.176 1.00 0.00 C ATOM 109 O VAL A 9 -1.974 2.583 2.401 1.00 0.00 O ATOM 110 CB VAL A 9 -3.614 4.288 0.247 1.00 0.00 C ATOM 111 CG1 VAL A 9 -3.344 5.102 1.496 1.00 0.00 C ATOM 112 CG2 VAL A 9 -2.694 4.725 -0.877 1.00 0.00 C ATOM 0 H VAL A 9 -5.040 2.986 1.903 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.539 2.251 -0.434 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.644 4.471 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.448 6.163 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.058 4.826 2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.332 4.904 1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.811 5.795 -1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.660 4.512 -0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.949 4.182 -1.787 1.00 0.00 H new ATOM 122 N CYS A 10 -1.158 2.089 0.361 1.00 0.00 N ATOM 123 CA CYS A 10 0.172 1.756 0.834 1.00 0.00 C ATOM 124 C CYS A 10 0.823 2.950 1.516 1.00 0.00 C ATOM 125 O CYS A 10 0.771 4.075 1.011 1.00 0.00 O ATOM 126 CB CYS A 10 1.021 1.295 -0.341 1.00 0.00 C ATOM 127 SG CYS A 10 2.749 0.897 0.064 1.00 0.00 S ATOM 0 H CYS A 10 -1.276 1.993 -0.648 1.00 0.00 H new ATOM 0 HA CYS A 10 0.094 0.954 1.568 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.555 0.414 -0.782 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.013 2.075 -1.103 1.00 0.00 H new ATOM 131 N ARG A 11 1.413 2.697 2.673 1.00 0.00 N ATOM 132 CA ARG A 11 2.062 3.738 3.449 1.00 0.00 C ATOM 133 C ARG A 11 3.333 4.218 2.745 1.00 0.00 C ATOM 134 O ARG A 11 3.729 5.375 2.887 1.00 0.00 O ATOM 135 CB ARG A 11 2.399 3.241 4.865 1.00 0.00 C ATOM 136 CG ARG A 11 3.492 2.184 4.909 1.00 0.00 C ATOM 137 CD ARG A 11 3.807 1.754 6.333 1.00 0.00 C ATOM 138 NE ARG A 11 5.015 0.929 6.400 1.00 0.00 N ATOM 139 CZ ARG A 11 5.490 0.390 7.524 1.00 0.00 C ATOM 140 NH1 ARG A 11 4.785 0.456 8.646 1.00 0.00 N ATOM 141 NH2 ARG A 11 6.664 -0.229 7.520 1.00 0.00 N ATOM 0 H ARG A 11 1.455 1.770 3.097 1.00 0.00 H new ATOM 0 HA ARG A 11 1.368 4.574 3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.706 4.092 5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.496 2.834 5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.181 1.316 4.328 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.395 2.575 4.440 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.935 2.637 6.959 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.963 1.196 6.739 1.00 0.00 H new ATOM 0 HE ARG A 11 5.525 0.756 5.534 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.877 0.920 8.651 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.151 0.043 9.504 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.204 -0.293 6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.026 -0.641 8.380 1.00 0.00 H new ATOM 152 N ILE A 12 4.032 3.293 2.085 1.00 0.00 N ATOM 153 CA ILE A 12 5.324 3.606 1.484 1.00 0.00 C ATOM 154 C ILE A 12 5.162 4.339 0.160 1.00 0.00 C ATOM 155 O ILE A 12 5.599 5.483 0.024 1.00 0.00 O ATOM 156 CB ILE A 12 6.178 2.341 1.256 1.00 0.00 C ATOM 157 CG1 ILE A 12 6.365 1.571 2.568 1.00 0.00 C ATOM 158 CG2 ILE A 12 7.532 2.720 0.668 1.00 0.00 C ATOM 159 CD1 ILE A 12 7.063 2.366 3.651 1.00 0.00 C ATOM 0 H ILE A 12 3.726 2.329 1.955 1.00 0.00 H new ATOM 0 HA ILE A 12 5.838 4.254 2.194 1.00 0.00 H new ATOM 0 HB ILE A 12 5.656 1.695 0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.388 1.255 2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.939 0.666 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.126 1.819 0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.385 3.228 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.055 3.384 1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.158 1.754 4.548 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.054 2.660 3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.480 3.258 3.881 1.00 0.00 H new ATOM 170 N CYS A 13 4.413 3.748 -0.764 1.00 0.00 N ATOM 171 CA CYS A 13 4.080 4.452 -1.985 1.00 0.00 C ATOM 172 C CYS A 13 2.709 5.109 -1.818 1.00 0.00 C ATOM 173 O CYS A 13 2.488 5.822 -0.840 1.00 0.00 O ATOM 174 CB CYS A 13 4.193 3.550 -3.249 1.00 0.00 C ATOM 175 SG CYS A 13 3.059 2.119 -3.380 1.00 0.00 S ATOM 0 H CYS A 13 4.034 2.804 -0.690 1.00 0.00 H new ATOM 0 HA CYS A 13 4.814 5.238 -2.159 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.040 4.180 -4.125 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.215 3.174 -3.302 1.00 0.00 H new ATOM 179 N LEU A 14 1.788 4.804 -2.713 1.00 0.00 N ATOM 180 CA LEU A 14 0.409 5.283 -2.630 1.00 0.00 C ATOM 181 C LEU A 14 -0.490 4.411 -3.481 1.00 0.00 C ATOM 182 O LEU A 14 -1.428 4.894 -4.116 1.00 0.00 O ATOM 183 CB LEU A 14 0.273 6.747 -3.079 1.00 0.00 C ATOM 184 CG LEU A 14 0.761 7.803 -2.084 1.00 0.00 C ATOM 185 CD1 LEU A 14 0.640 9.196 -2.682 1.00 0.00 C ATOM 186 CD2 LEU A 14 -0.037 7.715 -0.792 1.00 0.00 C ATOM 0 H LEU A 14 1.970 4.214 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 14 0.109 5.227 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.824 6.873 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.776 6.942 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 14 1.811 7.612 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.991 9.934 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.244 9.257 -3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.403 9.397 -2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.319 8.471 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.093 7.885 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.090 6.725 -0.353 1.00 0.00 H new ATOM 197 N SER A 15 -0.243 3.119 -3.433 1.00 0.00 N ATOM 198 CA SER A 15 -1.075 2.164 -4.129 1.00 0.00 C ATOM 199 C SER A 15 -2.250 1.749 -3.243 1.00 0.00 C ATOM 200 O SER A 15 -2.047 1.277 -2.127 1.00 0.00 O ATOM 201 CB SER A 15 -0.229 0.954 -4.513 1.00 0.00 C ATOM 202 OG SER A 15 0.898 1.350 -5.284 1.00 0.00 O ATOM 0 H SER A 15 0.533 2.705 -2.915 1.00 0.00 H new ATOM 0 HA SER A 15 -1.480 2.616 -5.035 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.104 0.437 -3.613 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.834 0.247 -5.081 1.00 0.00 H new ATOM 0 HG SER A 15 1.695 1.365 -4.714 1.00 0.00 H new ATOM 207 N ALA A 16 -3.469 1.897 -3.743 1.00 0.00 N ATOM 208 CA ALA A 16 -4.655 1.497 -2.994 1.00 0.00 C ATOM 209 C ALA A 16 -4.985 0.027 -3.248 1.00 0.00 C ATOM 210 O ALA A 16 -4.924 -0.436 -4.388 1.00 0.00 O ATOM 211 CB ALA A 16 -5.840 2.377 -3.363 1.00 0.00 C ATOM 0 H ALA A 16 -3.664 2.291 -4.664 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.446 1.623 -1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.716 2.064 -2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.608 3.416 -3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.046 2.282 -4.429 1.00 0.00 H new ATOM 217 N PHE A 17 -5.370 -0.692 -2.201 1.00 0.00 N ATOM 218 CA PHE A 17 -5.756 -2.098 -2.327 1.00 0.00 C ATOM 219 C PHE A 17 -7.021 -2.364 -1.526 1.00 0.00 C ATOM 220 O PHE A 17 -7.276 -1.701 -0.533 1.00 0.00 O ATOM 221 CB PHE A 17 -4.657 -3.058 -1.848 1.00 0.00 C ATOM 222 CG PHE A 17 -3.355 -2.959 -2.595 1.00 0.00 C ATOM 223 CD1 PHE A 17 -2.511 -1.875 -2.419 1.00 0.00 C ATOM 224 CD2 PHE A 17 -2.960 -3.975 -3.450 1.00 0.00 C ATOM 225 CE1 PHE A 17 -1.307 -1.803 -3.091 1.00 0.00 C ATOM 226 CE2 PHE A 17 -1.755 -3.907 -4.120 1.00 0.00 C ATOM 227 CZ PHE A 17 -0.929 -2.821 -3.942 1.00 0.00 C ATOM 0 H PHE A 17 -5.424 -0.326 -1.251 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.925 -2.282 -3.388 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.467 -2.870 -0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.028 -4.080 -1.929 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.798 -1.078 -1.749 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.603 -4.831 -3.594 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.661 -0.949 -2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.461 -4.706 -4.784 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.013 -2.766 -4.467 1.00 0.00 H new ATOM 236 N THR A 18 -7.833 -3.298 -1.994 1.00 0.00 N ATOM 237 CA THR A 18 -9.098 -3.616 -1.339 1.00 0.00 C ATOM 238 C THR A 18 -8.906 -4.279 0.029 1.00 0.00 C ATOM 239 O THR A 18 -9.707 -4.089 0.938 1.00 0.00 O ATOM 240 CB THR A 18 -9.975 -4.524 -2.220 1.00 0.00 C ATOM 241 OG1 THR A 18 -9.233 -5.684 -2.633 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.483 -3.771 -3.441 1.00 0.00 C ATOM 0 H THR A 18 -7.640 -3.853 -2.828 1.00 0.00 H new ATOM 0 HA THR A 18 -9.600 -2.660 -1.187 1.00 0.00 H new ATOM 0 HB THR A 18 -10.834 -4.841 -1.629 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.802 -6.254 -3.191 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.100 -4.435 -4.047 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.077 -2.916 -3.120 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.636 -3.423 -4.032 1.00 0.00 H new ATOM 250 N THR A 19 -7.928 -5.160 0.139 1.00 0.00 N ATOM 251 CA THR A 19 -7.759 -5.941 1.355 1.00 0.00 C ATOM 252 C THR A 19 -6.351 -5.812 1.909 1.00 0.00 C ATOM 253 O THR A 19 -5.388 -5.640 1.154 1.00 0.00 O ATOM 254 CB THR A 19 -8.072 -7.434 1.126 1.00 0.00 C ATOM 255 OG1 THR A 19 -7.196 -7.970 0.131 1.00 0.00 O ATOM 256 CG2 THR A 19 -9.519 -7.630 0.698 1.00 0.00 C ATOM 0 H THR A 19 -7.243 -5.353 -0.591 1.00 0.00 H new ATOM 0 HA THR A 19 -8.468 -5.537 2.077 1.00 0.00 H new ATOM 0 HB THR A 19 -7.918 -7.961 2.067 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.400 -8.918 -0.008 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.712 -8.692 0.543 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.183 -7.250 1.474 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.700 -7.089 -0.231 1.00 0.00 H new ATOM 264 N LYS A 20 -6.234 -5.992 3.224 1.00 0.00 N ATOM 265 CA LYS A 20 -4.937 -6.011 3.893 1.00 0.00 C ATOM 266 C LYS A 20 -4.052 -7.047 3.234 1.00 0.00 C ATOM 267 O LYS A 20 -2.844 -6.866 3.106 1.00 0.00 O ATOM 268 CB LYS A 20 -5.080 -6.380 5.368 1.00 0.00 C ATOM 269 CG LYS A 20 -5.997 -5.469 6.148 1.00 0.00 C ATOM 270 CD LYS A 20 -5.478 -4.041 6.195 1.00 0.00 C ATOM 271 CE LYS A 20 -6.364 -3.162 7.064 1.00 0.00 C ATOM 272 NZ LYS A 20 -6.399 -3.628 8.479 1.00 0.00 N ATOM 0 H LYS A 20 -7.028 -6.127 3.849 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.503 -5.014 3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.453 -7.402 5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.093 -6.367 5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.989 -5.479 5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.106 -5.848 7.164 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.460 -4.034 6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.435 -3.633 5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.001 -2.135 7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.376 -3.156 6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.778 -2.872 9.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.007 -4.469 8.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.436 -3.869 8.789 1.00 0.00 H new ATOM 282 N ALA A 21 -4.678 -8.155 2.859 1.00 0.00 N ATOM 283 CA ALA A 21 -3.980 -9.268 2.254 1.00 0.00 C ATOM 284 C ALA A 21 -3.202 -8.829 1.017 1.00 0.00 C ATOM 285 O ALA A 21 -2.037 -9.197 0.844 1.00 0.00 O ATOM 286 CB ALA A 21 -4.964 -10.371 1.899 1.00 0.00 C ATOM 0 H ALA A 21 -5.682 -8.302 2.968 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.262 -9.652 2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.428 -11.204 1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.468 -10.714 2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.703 -9.987 1.195 1.00 0.00 H new ATOM 292 N ASN A 22 -3.830 -8.010 0.176 1.00 0.00 N ATOM 293 CA ASN A 22 -3.157 -7.505 -1.018 1.00 0.00 C ATOM 294 C ASN A 22 -2.040 -6.543 -0.640 1.00 0.00 C ATOM 295 O ASN A 22 -0.957 -6.586 -1.216 1.00 0.00 O ATOM 296 CB ASN A 22 -4.122 -6.816 -1.985 1.00 0.00 C ATOM 297 CG ASN A 22 -5.193 -7.739 -2.527 1.00 0.00 C ATOM 298 OD1 ASN A 22 -4.900 -8.815 -3.040 1.00 0.00 O ATOM 299 ND2 ASN A 22 -6.437 -7.304 -2.455 1.00 0.00 N ATOM 0 H ASN A 22 -4.790 -7.686 0.296 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.737 -8.372 -1.528 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.599 -5.979 -1.476 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.555 -6.401 -2.818 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.197 -7.868 -2.834 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.638 -6.403 -2.020 1.00 0.00 H new ATOM 305 N CYS A 23 -2.306 -5.678 0.330 1.00 0.00 N ATOM 306 CA CYS A 23 -1.315 -4.706 0.784 1.00 0.00 C ATOM 307 C CYS A 23 -0.096 -5.414 1.387 1.00 0.00 C ATOM 308 O CYS A 23 1.045 -5.016 1.154 1.00 0.00 O ATOM 309 CB CYS A 23 -1.940 -3.747 1.806 1.00 0.00 C ATOM 310 SG CYS A 23 -0.842 -2.420 2.362 1.00 0.00 S ATOM 0 H CYS A 23 -3.200 -5.628 0.819 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.980 -4.128 -0.077 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.834 -3.302 1.368 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.263 -4.322 2.674 1.00 0.00 H new ATOM 0 HG CYS A 23 -1.468 -1.669 3.219 1.00 0.00 H new ATOM 315 N ALA A 24 -0.349 -6.454 2.176 1.00 0.00 N ATOM 316 CA ALA A 24 0.717 -7.202 2.834 1.00 0.00 C ATOM 317 C ALA A 24 1.659 -7.853 1.823 1.00 0.00 C ATOM 318 O ALA A 24 2.880 -7.750 1.950 1.00 0.00 O ATOM 319 CB ALA A 24 0.123 -8.256 3.755 1.00 0.00 C ATOM 0 H ALA A 24 -1.288 -6.799 2.376 1.00 0.00 H new ATOM 0 HA ALA A 24 1.303 -6.497 3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.927 -8.809 4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.494 -7.772 4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.490 -8.944 3.173 1.00 0.00 H new ATOM 325 N ARG A 25 1.091 -8.517 0.818 1.00 0.00 N ATOM 326 CA ARG A 25 1.898 -9.170 -0.209 1.00 0.00 C ATOM 327 C ARG A 25 2.660 -8.120 -1.017 1.00 0.00 C ATOM 328 O ARG A 25 3.809 -8.321 -1.392 1.00 0.00 O ATOM 329 CB ARG A 25 1.034 -10.052 -1.129 1.00 0.00 C ATOM 330 CG ARG A 25 0.062 -9.286 -2.011 1.00 0.00 C ATOM 331 CD ARG A 25 -0.801 -10.224 -2.836 1.00 0.00 C ATOM 332 NE ARG A 25 -1.646 -9.507 -3.791 1.00 0.00 N ATOM 333 CZ ARG A 25 -2.537 -10.099 -4.584 1.00 0.00 C ATOM 334 NH1 ARG A 25 -2.833 -11.381 -4.412 1.00 0.00 N ATOM 335 NH2 ARG A 25 -3.161 -9.399 -5.518 1.00 0.00 N ATOM 0 H ARG A 25 0.083 -8.616 0.694 1.00 0.00 H new ATOM 0 HA ARG A 25 2.616 -9.825 0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.692 -10.644 -1.765 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.470 -10.753 -0.513 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.575 -8.656 -1.390 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.617 -8.623 -2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.161 -10.923 -3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.430 -10.815 -2.170 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.547 -8.494 -3.853 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.378 -11.915 -3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.516 -11.833 -5.020 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.959 -8.405 -5.631 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.843 -9.853 -6.125 1.00 0.00 H new ATOM 346 N HIS A 26 2.010 -6.982 -1.229 1.00 0.00 N ATOM 347 CA HIS A 26 2.600 -5.850 -1.932 1.00 0.00 C ATOM 348 C HIS A 26 3.874 -5.357 -1.243 1.00 0.00 C ATOM 349 O HIS A 26 4.814 -4.921 -1.904 1.00 0.00 O ATOM 350 CB HIS A 26 1.575 -4.708 -1.986 1.00 0.00 C ATOM 351 CG HIS A 26 2.139 -3.392 -2.429 1.00 0.00 C ATOM 352 ND1 HIS A 26 2.525 -3.090 -3.719 1.00 0.00 N ATOM 353 CD2 HIS A 26 2.463 -2.315 -1.680 1.00 0.00 C ATOM 354 CE1 HIS A 26 3.063 -1.856 -3.701 1.00 0.00 C ATOM 355 NE2 HIS A 26 3.041 -1.350 -2.481 1.00 0.00 N ATOM 0 H HIS A 26 1.053 -6.818 -0.916 1.00 0.00 H new ATOM 0 HA HIS A 26 2.869 -6.174 -2.938 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.769 -4.991 -2.663 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.133 -4.586 -0.997 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.422 -3.691 -4.536 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.295 -2.223 -0.617 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.459 -1.348 -4.568 1.00 0.00 H new ATOM 362 N LEU A 27 3.809 -5.256 0.079 1.00 0.00 N ATOM 363 CA LEU A 27 4.853 -4.605 0.873 1.00 0.00 C ATOM 364 C LEU A 27 6.262 -5.115 0.543 1.00 0.00 C ATOM 365 O LEU A 27 7.241 -4.378 0.694 1.00 0.00 O ATOM 366 CB LEU A 27 4.565 -4.788 2.368 1.00 0.00 C ATOM 367 CG LEU A 27 5.508 -4.034 3.310 1.00 0.00 C ATOM 368 CD1 LEU A 27 5.441 -2.540 3.038 1.00 0.00 C ATOM 369 CD2 LEU A 27 5.156 -4.332 4.761 1.00 0.00 C ATOM 0 H LEU A 27 3.034 -5.621 0.633 1.00 0.00 H new ATOM 0 HA LEU A 27 4.832 -3.546 0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.543 -4.465 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.615 -5.851 2.604 1.00 0.00 H new ATOM 0 HG LEU A 27 6.528 -4.372 3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.116 -2.016 3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.736 -2.344 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.422 -2.187 3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.835 -3.789 5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.131 -4.018 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.250 -5.402 4.946 1.00 0.00 H new ATOM 380 N LYS A 28 6.367 -6.392 0.179 1.00 0.00 N ATOM 381 CA LYS A 28 7.666 -7.024 -0.069 1.00 0.00 C ATOM 382 C LYS A 28 8.520 -6.235 -1.061 1.00 0.00 C ATOM 383 O LYS A 28 9.737 -6.207 -0.931 1.00 0.00 O ATOM 384 CB LYS A 28 7.488 -8.468 -0.554 1.00 0.00 C ATOM 385 CG LYS A 28 6.734 -8.603 -1.865 1.00 0.00 C ATOM 386 CD LYS A 28 6.514 -10.063 -2.216 1.00 0.00 C ATOM 387 CE LYS A 28 5.726 -10.227 -3.505 1.00 0.00 C ATOM 388 NZ LYS A 28 5.432 -11.656 -3.794 1.00 0.00 N ATOM 0 H LYS A 28 5.568 -7.012 0.049 1.00 0.00 H new ATOM 0 HA LYS A 28 8.197 -7.031 0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.472 -8.924 -0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.960 -9.034 0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.773 -8.094 -1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.293 -8.113 -2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.478 -10.561 -2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.983 -10.555 -1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.791 -9.671 -3.433 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.290 -9.797 -4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.893 -11.727 -4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.324 -12.182 -3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.872 -12.060 -3.016 1.00 0.00 H new ATOM 398 N VAL A 29 7.885 -5.640 -2.068 1.00 0.00 N ATOM 399 CA VAL A 29 8.603 -4.899 -3.111 1.00 0.00 C ATOM 400 C VAL A 29 9.493 -3.797 -2.536 1.00 0.00 C ATOM 401 O VAL A 29 10.579 -3.536 -3.052 1.00 0.00 O ATOM 402 CB VAL A 29 7.630 -4.264 -4.134 1.00 0.00 C ATOM 403 CG1 VAL A 29 6.822 -5.333 -4.849 1.00 0.00 C ATOM 404 CG2 VAL A 29 6.704 -3.265 -3.456 1.00 0.00 C ATOM 0 H VAL A 29 6.872 -5.655 -2.187 1.00 0.00 H new ATOM 0 HA VAL A 29 9.233 -5.635 -3.612 1.00 0.00 H new ATOM 0 HB VAL A 29 8.226 -3.731 -4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.146 -4.862 -5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.497 -6.006 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.243 -5.900 -4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.030 -2.833 -4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.121 -3.773 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.296 -2.473 -2.998 1.00 0.00 H new ATOM 414 N HIS A 30 8.998 -3.106 -1.516 1.00 0.00 N ATOM 415 CA HIS A 30 9.719 -1.980 -0.941 1.00 0.00 C ATOM 416 C HIS A 30 10.857 -2.471 -0.067 1.00 0.00 C ATOM 417 O HIS A 30 11.934 -1.878 -0.039 1.00 0.00 O ATOM 418 CB HIS A 30 8.783 -1.090 -0.114 1.00 0.00 C ATOM 419 CG HIS A 30 7.667 -0.456 -0.893 1.00 0.00 C ATOM 420 ND1 HIS A 30 7.848 0.403 -1.957 1.00 0.00 N ATOM 421 CD2 HIS A 30 6.329 -0.535 -0.702 1.00 0.00 C ATOM 422 CE1 HIS A 30 6.631 0.817 -2.360 1.00 0.00 C ATOM 423 NE2 HIS A 30 5.679 0.274 -1.624 1.00 0.00 N ATOM 0 H HIS A 30 8.102 -3.306 -1.072 1.00 0.00 H new ATOM 0 HA HIS A 30 10.124 -1.390 -1.763 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.353 -1.687 0.690 1.00 0.00 H new ATOM 0 HB3 HIS A 30 9.373 -0.303 0.355 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.742 0.676 -2.365 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.842 -1.135 0.052 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.457 1.502 -3.177 1.00 0.00 H new ATOM 430 N THR A 31 10.613 -3.549 0.652 1.00 0.00 N ATOM 431 CA THR A 31 11.615 -4.109 1.532 1.00 0.00 C ATOM 432 C THR A 31 12.331 -5.266 0.832 1.00 0.00 C ATOM 433 O THR A 31 12.825 -6.191 1.475 1.00 0.00 O ATOM 434 CB THR A 31 10.943 -4.584 2.836 1.00 0.00 C ATOM 435 OG1 THR A 31 10.063 -3.557 3.315 1.00 0.00 O ATOM 436 CG2 THR A 31 11.963 -4.887 3.920 1.00 0.00 C ATOM 0 H THR A 31 9.727 -4.054 0.643 1.00 0.00 H new ATOM 0 HA THR A 31 12.356 -3.349 1.779 1.00 0.00 H new ATOM 0 HB THR A 31 10.395 -5.499 2.612 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.632 -3.855 4.143 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.448 -5.218 4.822 1.00 0.00 H new ATOM 0 HG22 THR A 31 12.636 -5.673 3.577 1.00 0.00 H new ATOM 0 HG23 THR A 31 12.538 -3.988 4.140 1.00 0.00 H new ATOM 444 N ASP A 32 12.402 -5.171 -0.501 1.00 0.00 N ATOM 445 CA ASP A 32 13.067 -6.159 -1.359 1.00 0.00 C ATOM 446 C ASP A 32 12.386 -7.532 -1.334 1.00 0.00 C ATOM 447 O ASP A 32 12.088 -8.101 -2.383 1.00 0.00 O ATOM 448 CB ASP A 32 14.522 -6.309 -0.960 1.00 0.00 C ATOM 449 CG ASP A 32 15.376 -5.093 -1.273 1.00 0.00 C ATOM 450 OD1 ASP A 32 14.844 -4.088 -1.795 1.00 0.00 O ATOM 451 OD2 ASP A 32 16.592 -5.140 -0.995 1.00 0.00 O ATOM 0 H ASP A 32 11.993 -4.395 -1.021 1.00 0.00 H new ATOM 0 HA ASP A 32 12.993 -5.780 -2.378 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.576 -6.513 0.109 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.941 -7.176 -1.471 1.00 0.00 H new ATOM 455 N THR A 33 12.151 -8.062 -0.146 1.00 0.00 N ATOM 456 CA THR A 33 11.520 -9.359 0.020 1.00 0.00 C ATOM 457 C THR A 33 10.976 -9.486 1.438 1.00 0.00 C ATOM 458 O THR A 33 11.582 -8.989 2.388 1.00 0.00 O ATOM 459 CB THR A 33 12.501 -10.521 -0.276 1.00 0.00 C ATOM 460 OG1 THR A 33 11.853 -11.785 -0.069 1.00 0.00 O ATOM 461 CG2 THR A 33 13.743 -10.437 0.599 1.00 0.00 C ATOM 0 H THR A 33 12.393 -7.604 0.732 1.00 0.00 H new ATOM 0 HA THR A 33 10.703 -9.428 -0.698 1.00 0.00 H new ATOM 0 HB THR A 33 12.808 -10.435 -1.318 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.483 -12.511 -0.261 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.410 -11.267 0.365 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.257 -9.495 0.411 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.453 -10.489 1.648 1.00 0.00 H new ATOM 469 N LEU A 34 9.797 -10.082 1.568 1.00 0.00 N ATOM 470 CA LEU A 34 9.121 -10.194 2.862 1.00 0.00 C ATOM 471 C LEU A 34 8.321 -11.485 2.936 1.00 0.00 C ATOM 472 O LEU A 34 8.328 -12.175 3.953 1.00 0.00 O ATOM 473 CB LEU A 34 8.188 -8.997 3.083 1.00 0.00 C ATOM 474 CG LEU A 34 8.882 -7.643 3.257 1.00 0.00 C ATOM 475 CD1 LEU A 34 7.860 -6.523 3.297 1.00 0.00 C ATOM 476 CD2 LEU A 34 9.714 -7.636 4.533 1.00 0.00 C ATOM 0 H LEU A 34 9.284 -10.498 0.791 1.00 0.00 H new ATOM 0 HA LEU A 34 9.881 -10.203 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.505 -8.929 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.581 -9.191 3.967 1.00 0.00 H new ATOM 0 HG LEU A 34 9.542 -7.483 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.371 -5.568 3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.294 -6.513 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.179 -6.681 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.202 -6.668 4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.066 -7.817 5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.470 -8.419 4.478 1.00 0.00 H new ATOM 487 N SER A 35 7.647 -11.814 1.847 1.00 0.00 N ATOM 488 CA SER A 35 6.855 -13.022 1.771 1.00 0.00 C ATOM 489 C SER A 35 6.612 -13.368 0.312 1.00 0.00 C ATOM 490 O SER A 35 6.024 -14.432 0.026 1.00 0.00 O ATOM 491 CB SER A 35 5.530 -12.834 2.522 1.00 0.00 C ATOM 492 OG SER A 35 4.822 -11.694 2.050 1.00 0.00 O ATOM 493 OXT SER A 35 7.033 -12.572 -0.549 1.00 0.00 O ATOM 0 H SER A 35 7.635 -11.252 0.996 1.00 0.00 H new ATOM 0 HA SER A 35 7.392 -13.845 2.243 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.912 -13.724 2.401 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.727 -12.726 3.589 1.00 0.00 H new ATOM 0 HG SER A 35 3.982 -11.602 2.546 1.00 0.00 H new TER 498 SER A 35 HETATM 499 ZN ZN A 36 3.722 0.407 -1.913 1.00 0.00 ZN