USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 ASN : amide:sc= 0.293 K(o=1.1,f=-0.44) USER MOD Set 1.2: A 13 ASN : amide:sc= 0.769 K(o=1.1,f=-3.9!) USER MOD Single : A 1 GLU N :NH3+ -120:sc= 0.0379 (180deg=-0.57) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.28 K(o=-2.3,f=-4.6!) USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= -0.102 (180deg=-0.554) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -28:sc= -1.52 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.144) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0713 USER MOD Single : A 32 LYS NZ :NH3+ -148:sc= -0.262 (180deg=-0.97) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.67 K(o=-0.67,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.455 0.052 0.209 1.00 0.00 N ATOM 2 CA GLU A 1 2.253 0.040 -1.011 1.00 0.00 C ATOM 3 C GLU A 1 1.883 -1.150 -1.892 1.00 0.00 C ATOM 4 O GLU A 1 1.108 -2.018 -1.488 1.00 0.00 O ATOM 5 CB GLU A 1 3.744 -0.007 -0.671 1.00 0.00 C ATOM 6 CG GLU A 1 4.246 1.237 0.042 1.00 0.00 C ATOM 7 CD GLU A 1 5.418 0.951 0.960 1.00 0.00 C ATOM 8 OE1 GLU A 1 5.191 0.402 2.058 1.00 0.00 O ATOM 9 OE2 GLU A 1 6.562 1.276 0.580 1.00 0.00 O ATOM 0 H1 GLU A 1 0.906 0.934 0.256 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.806 -0.760 0.207 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.083 -0.009 1.035 1.00 0.00 H new ATOM 0 HA GLU A 1 2.042 0.957 -1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.938 -0.878 -0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.313 -0.143 -1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.542 1.981 -0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.432 1.672 0.623 1.00 0.00 H new ATOM 16 N CYS A 2 2.442 -1.184 -3.096 1.00 0.00 N ATOM 17 CA CYS A 2 2.171 -2.265 -4.036 1.00 0.00 C ATOM 18 C CYS A 2 2.924 -3.532 -3.639 1.00 0.00 C ATOM 19 O CYS A 2 4.136 -3.504 -3.417 1.00 0.00 O ATOM 20 CB CYS A 2 2.566 -1.848 -5.454 1.00 0.00 C ATOM 21 SG CYS A 2 2.210 -0.104 -5.842 1.00 0.00 S ATOM 0 H CYS A 2 3.087 -0.474 -3.445 1.00 0.00 H new ATOM 0 HA CYS A 2 1.102 -2.475 -4.011 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.632 -2.029 -5.591 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.040 -2.483 -6.168 1.00 0.00 H new ATOM 26 N LEU A 3 2.199 -4.641 -3.551 1.00 0.00 N ATOM 27 CA LEU A 3 2.797 -5.919 -3.181 1.00 0.00 C ATOM 28 C LEU A 3 2.828 -6.872 -4.372 1.00 0.00 C ATOM 29 O LEU A 3 1.893 -7.643 -4.584 1.00 0.00 O ATOM 30 CB LEU A 3 2.020 -6.553 -2.026 1.00 0.00 C ATOM 31 CG LEU A 3 1.127 -5.609 -1.219 1.00 0.00 C ATOM 32 CD1 LEU A 3 -0.032 -6.372 -0.598 1.00 0.00 C ATOM 33 CD2 LEU A 3 1.937 -4.897 -0.145 1.00 0.00 C ATOM 0 H LEU A 3 1.196 -4.681 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 3 3.823 -5.733 -2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.399 -7.353 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.734 -7.016 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 3 0.719 -4.858 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.656 -5.684 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.627 -6.834 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.355 -7.145 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.286 -4.230 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.374 -5.634 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.732 -4.317 -0.614 1.00 0.00 H new ATOM 45 N GLU A 4 3.908 -6.812 -5.143 1.00 0.00 N ATOM 46 CA GLU A 4 4.060 -7.671 -6.312 1.00 0.00 C ATOM 47 C GLU A 4 4.814 -8.948 -5.954 1.00 0.00 C ATOM 48 O GLU A 4 4.750 -9.942 -6.678 1.00 0.00 O ATOM 49 CB GLU A 4 4.796 -6.926 -7.428 1.00 0.00 C ATOM 50 CG GLU A 4 6.290 -6.788 -7.185 1.00 0.00 C ATOM 51 CD GLU A 4 6.966 -5.889 -8.201 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.289 -5.463 -9.160 1.00 0.00 O ATOM 53 OE2 GLU A 4 8.172 -5.611 -8.037 1.00 0.00 O ATOM 0 H GLU A 4 4.691 -6.178 -4.980 1.00 0.00 H new ATOM 0 HA GLU A 4 3.065 -7.944 -6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.637 -7.450 -8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.361 -5.933 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.456 -6.388 -6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.752 -7.775 -7.215 1.00 0.00 H new ATOM 60 N ILE A 5 5.528 -8.913 -4.835 1.00 0.00 N ATOM 61 CA ILE A 5 6.294 -10.067 -4.381 1.00 0.00 C ATOM 62 C ILE A 5 5.384 -11.118 -3.753 1.00 0.00 C ATOM 63 O ILE A 5 5.772 -12.275 -3.595 1.00 0.00 O ATOM 64 CB ILE A 5 7.372 -9.660 -3.358 1.00 0.00 C ATOM 65 CG1 ILE A 5 8.156 -10.890 -2.896 1.00 0.00 C ATOM 66 CG2 ILE A 5 6.736 -8.954 -2.171 1.00 0.00 C ATOM 67 CD1 ILE A 5 8.724 -11.708 -4.035 1.00 0.00 C ATOM 0 H ILE A 5 5.592 -8.098 -4.225 1.00 0.00 H new ATOM 0 HA ILE A 5 6.780 -10.489 -5.260 1.00 0.00 H new ATOM 0 HB ILE A 5 8.065 -8.969 -3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.972 -10.569 -2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.503 -11.523 -2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.510 -8.673 -1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.217 -8.059 -2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.024 -9.623 -1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.267 -12.564 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.912 -12.060 -4.671 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.403 -11.091 -4.623 1.00 0.00 H new ATOM 79 N PHE A 6 4.171 -10.707 -3.398 1.00 0.00 N ATOM 80 CA PHE A 6 3.205 -11.613 -2.788 1.00 0.00 C ATOM 81 C PHE A 6 3.029 -11.302 -1.305 1.00 0.00 C ATOM 82 O PHE A 6 2.698 -12.181 -0.509 1.00 0.00 O ATOM 83 CB PHE A 6 3.653 -13.065 -2.967 1.00 0.00 C ATOM 84 CG PHE A 6 4.481 -13.582 -1.826 1.00 0.00 C ATOM 85 CD1 PHE A 6 5.362 -12.746 -1.158 1.00 0.00 C ATOM 86 CD2 PHE A 6 4.380 -14.903 -1.421 1.00 0.00 C ATOM 87 CE1 PHE A 6 6.126 -13.219 -0.108 1.00 0.00 C ATOM 88 CE2 PHE A 6 5.142 -15.382 -0.372 1.00 0.00 C ATOM 89 CZ PHE A 6 6.015 -14.538 0.286 1.00 0.00 C ATOM 0 H PHE A 6 3.834 -9.752 -3.522 1.00 0.00 H new ATOM 0 HA PHE A 6 2.246 -11.472 -3.287 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.772 -13.697 -3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.228 -13.148 -3.889 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.452 -11.713 -1.461 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.698 -15.567 -1.931 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.809 -12.558 0.404 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.055 -16.414 -0.067 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.610 -14.909 1.107 1.00 0.00 H new ATOM 99 N LYS A 7 3.255 -10.044 -0.939 1.00 0.00 N ATOM 100 CA LYS A 7 3.121 -9.615 0.448 1.00 0.00 C ATOM 101 C LYS A 7 1.656 -9.586 0.870 1.00 0.00 C ATOM 102 O LYS A 7 0.766 -9.376 0.046 1.00 0.00 O ATOM 103 CB LYS A 7 3.744 -8.229 0.636 1.00 0.00 C ATOM 104 CG LYS A 7 4.749 -8.164 1.773 1.00 0.00 C ATOM 105 CD LYS A 7 5.955 -9.049 1.503 1.00 0.00 C ATOM 106 CE LYS A 7 6.119 -10.111 2.579 1.00 0.00 C ATOM 107 NZ LYS A 7 6.600 -9.529 3.863 1.00 0.00 N ATOM 0 H LYS A 7 3.532 -9.304 -1.584 1.00 0.00 H new ATOM 0 HA LYS A 7 3.647 -10.333 1.077 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.236 -7.932 -0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.950 -7.505 0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.076 -7.134 1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.270 -8.474 2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.845 -9.529 0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.855 -8.435 1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.165 -10.613 2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.824 -10.869 2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.699 -10.284 4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.522 -9.072 3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.915 -8.824 4.203 1.00 0.00 H new ATOM 121 N ALA A 8 1.412 -9.798 2.159 1.00 0.00 N ATOM 122 CA ALA A 8 0.054 -9.794 2.691 1.00 0.00 C ATOM 123 C ALA A 8 -0.684 -8.518 2.299 1.00 0.00 C ATOM 124 O ALA A 8 -0.292 -7.417 2.688 1.00 0.00 O ATOM 125 CB ALA A 8 0.080 -9.948 4.204 1.00 0.00 C ATOM 0 H ALA A 8 2.137 -9.975 2.855 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.482 -10.640 2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.940 -9.943 4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.562 -10.890 4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.637 -9.121 4.644 1.00 0.00 H new ATOM 131 N CYS A 9 -1.754 -8.672 1.527 1.00 0.00 N ATOM 132 CA CYS A 9 -2.547 -7.533 1.081 1.00 0.00 C ATOM 133 C CYS A 9 -3.728 -7.293 2.017 1.00 0.00 C ATOM 134 O CYS A 9 -4.290 -8.233 2.577 1.00 0.00 O ATOM 135 CB CYS A 9 -3.051 -7.763 -0.345 1.00 0.00 C ATOM 136 SG CYS A 9 -4.860 -7.933 -0.476 1.00 0.00 S ATOM 0 H CYS A 9 -2.092 -9.576 1.197 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.909 -6.650 1.096 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.729 -6.931 -0.971 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.582 -8.663 -0.744 1.00 0.00 H new ATOM 141 N ASN A 10 -4.099 -6.027 2.181 1.00 0.00 N ATOM 142 CA ASN A 10 -5.213 -5.663 3.049 1.00 0.00 C ATOM 143 C ASN A 10 -6.512 -5.567 2.255 1.00 0.00 C ATOM 144 O ASN A 10 -6.520 -5.242 1.068 1.00 0.00 O ATOM 145 CB ASN A 10 -4.928 -4.332 3.747 1.00 0.00 C ATOM 146 CG ASN A 10 -4.022 -4.492 4.952 1.00 0.00 C ATOM 147 OD1 ASN A 10 -3.142 -5.353 4.970 1.00 0.00 O ATOM 148 ND2 ASN A 10 -4.234 -3.662 5.966 1.00 0.00 N ATOM 0 H ASN A 10 -3.644 -5.236 1.724 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.326 -6.443 3.802 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.466 -3.645 3.038 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.869 -3.881 4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.656 -3.723 6.804 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.975 -2.964 5.907 1.00 0.00 H new ATOM 155 N PRO A 11 -7.637 -5.855 2.925 1.00 0.00 N ATOM 156 CA PRO A 11 -8.964 -5.807 2.303 1.00 0.00 C ATOM 157 C PRO A 11 -9.403 -4.382 1.983 1.00 0.00 C ATOM 158 O PRO A 11 -9.877 -4.101 0.882 1.00 0.00 O ATOM 159 CB PRO A 11 -9.877 -6.422 3.366 1.00 0.00 C ATOM 160 CG PRO A 11 -9.171 -6.184 4.656 1.00 0.00 C ATOM 161 CD PRO A 11 -7.702 -6.250 4.343 1.00 0.00 C ATOM 0 HA PRO A 11 -8.986 -6.332 1.348 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.861 -5.954 3.361 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.030 -7.487 3.189 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.438 -5.213 5.073 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.446 -6.936 5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.126 -5.574 4.975 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.302 -7.252 4.500 1.00 0.00 H new ATOM 169 N SER A 12 -9.242 -3.487 2.952 1.00 0.00 N ATOM 170 CA SER A 12 -9.625 -2.091 2.775 1.00 0.00 C ATOM 171 C SER A 12 -8.436 -1.256 2.309 1.00 0.00 C ATOM 172 O SER A 12 -8.520 -0.537 1.315 1.00 0.00 O ATOM 173 CB SER A 12 -10.181 -1.523 4.082 1.00 0.00 C ATOM 174 OG SER A 12 -10.740 -0.236 3.881 1.00 0.00 O ATOM 0 H SER A 12 -8.849 -3.703 3.868 1.00 0.00 H new ATOM 0 HA SER A 12 -10.400 -2.047 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.941 -2.195 4.480 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.385 -1.466 4.825 1.00 0.00 H new ATOM 0 HG SER A 12 -11.090 0.105 4.730 1.00 0.00 H new ATOM 180 N ASN A 13 -7.328 -1.358 3.037 1.00 0.00 N ATOM 181 CA ASN A 13 -6.121 -0.613 2.700 1.00 0.00 C ATOM 182 C ASN A 13 -5.555 -1.070 1.359 1.00 0.00 C ATOM 183 O ASN A 13 -4.765 -2.012 1.296 1.00 0.00 O ATOM 184 CB ASN A 13 -5.068 -0.785 3.796 1.00 0.00 C ATOM 185 CG ASN A 13 -5.663 -0.701 5.189 1.00 0.00 C ATOM 186 OD1 ASN A 13 -6.368 -1.608 5.630 1.00 0.00 O ATOM 187 ND2 ASN A 13 -5.380 0.392 5.887 1.00 0.00 N ATOM 0 H ASN A 13 -7.242 -1.949 3.864 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.385 0.442 2.622 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.573 -1.749 3.673 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.302 -0.017 3.684 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.752 0.505 6.830 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.791 1.118 5.480 1.00 0.00 H new ATOM 194 N ASP A 14 -5.966 -0.397 0.290 1.00 0.00 N ATOM 195 CA ASP A 14 -5.499 -0.733 -1.050 1.00 0.00 C ATOM 196 C ASP A 14 -3.975 -0.725 -1.113 1.00 0.00 C ATOM 197 O ASP A 14 -3.353 0.335 -1.177 1.00 0.00 O ATOM 198 CB ASP A 14 -6.069 0.251 -2.073 1.00 0.00 C ATOM 199 CG ASP A 14 -5.975 1.690 -1.607 1.00 0.00 C ATOM 200 OD1 ASP A 14 -6.920 2.160 -0.938 1.00 0.00 O ATOM 201 OD2 ASP A 14 -4.957 2.347 -1.909 1.00 0.00 O ATOM 0 H ASP A 14 -6.621 0.384 0.325 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.849 -1.737 -1.289 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.533 0.142 -3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.112 0.003 -2.269 1.00 0.00 H new ATOM 206 N GLN A 15 -3.381 -1.914 -1.092 1.00 0.00 N ATOM 207 CA GLN A 15 -1.929 -2.043 -1.145 1.00 0.00 C ATOM 208 C GLN A 15 -1.448 -2.195 -2.584 1.00 0.00 C ATOM 209 O GLN A 15 -0.772 -1.317 -3.120 1.00 0.00 O ATOM 210 CB GLN A 15 -1.472 -3.242 -0.312 1.00 0.00 C ATOM 211 CG GLN A 15 -1.816 -3.123 1.164 1.00 0.00 C ATOM 212 CD GLN A 15 -0.828 -3.852 2.054 1.00 0.00 C ATOM 213 OE1 GLN A 15 -1.080 -4.975 2.491 1.00 0.00 O ATOM 214 NE2 GLN A 15 0.305 -3.215 2.327 1.00 0.00 N ATOM 0 H GLN A 15 -3.882 -2.801 -1.039 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.493 -1.134 -0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.930 -4.147 -0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.393 -3.357 -0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.842 -2.070 1.443 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.816 -3.523 1.334 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.472 -2.285 1.943 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.008 -3.656 2.920 1.00 0.00 H new ATOM 223 N CYS A 16 -1.800 -3.317 -3.204 1.00 0.00 N ATOM 224 CA CYS A 16 -1.403 -3.586 -4.581 1.00 0.00 C ATOM 225 C CYS A 16 -1.501 -2.323 -5.432 1.00 0.00 C ATOM 226 O CYS A 16 -2.337 -1.455 -5.181 1.00 0.00 O ATOM 227 CB CYS A 16 -2.281 -4.687 -5.180 1.00 0.00 C ATOM 228 SG CYS A 16 -2.700 -6.021 -4.013 1.00 0.00 S ATOM 0 H CYS A 16 -2.359 -4.054 -2.775 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.365 -3.920 -4.576 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.203 -4.240 -5.551 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.768 -5.119 -6.040 1.00 0.00 H new ATOM 233 N CYS A 17 -0.641 -2.228 -6.441 1.00 0.00 N ATOM 234 CA CYS A 17 -0.629 -1.073 -7.330 1.00 0.00 C ATOM 235 C CYS A 17 -1.907 -1.014 -8.162 1.00 0.00 C ATOM 236 O CYS A 17 -2.815 -1.825 -7.985 1.00 0.00 O ATOM 237 CB CYS A 17 0.591 -1.125 -8.251 1.00 0.00 C ATOM 238 SG CYS A 17 1.906 0.058 -7.811 1.00 0.00 S ATOM 0 H CYS A 17 0.057 -2.938 -6.663 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.574 -0.174 -6.716 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.004 -2.134 -8.233 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.269 -0.930 -9.274 1.00 0.00 H new ATOM 243 N LYS A 18 -1.969 -0.047 -9.072 1.00 0.00 N ATOM 244 CA LYS A 18 -3.133 0.119 -9.935 1.00 0.00 C ATOM 245 C LYS A 18 -2.990 -0.711 -11.207 1.00 0.00 C ATOM 246 O LYS A 18 -3.449 -1.852 -11.270 1.00 0.00 O ATOM 247 CB LYS A 18 -3.321 1.594 -10.294 1.00 0.00 C ATOM 248 CG LYS A 18 -4.215 2.347 -9.324 1.00 0.00 C ATOM 249 CD LYS A 18 -3.546 2.525 -7.971 1.00 0.00 C ATOM 250 CE LYS A 18 -2.405 3.527 -8.042 1.00 0.00 C ATOM 251 NZ LYS A 18 -2.869 4.865 -8.503 1.00 0.00 N ATOM 0 H LYS A 18 -1.226 0.634 -9.231 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.010 -0.231 -9.391 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.345 2.079 -10.327 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.745 1.664 -11.296 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.463 3.324 -9.740 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.153 1.807 -9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.282 2.861 -7.241 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.167 1.564 -7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.943 3.622 -7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.637 3.155 -8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.152 5.581 -8.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.016 4.846 -9.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.764 5.104 -8.030 1.00 0.00 H new ATOM 265 N SER A 19 -2.351 -0.131 -12.217 1.00 0.00 N ATOM 266 CA SER A 19 -2.150 -0.816 -13.489 1.00 0.00 C ATOM 267 C SER A 19 -1.412 -2.136 -13.284 1.00 0.00 C ATOM 268 O SER A 19 -1.470 -3.030 -14.129 1.00 0.00 O ATOM 269 CB SER A 19 -1.366 0.075 -14.454 1.00 0.00 C ATOM 270 OG SER A 19 -1.039 -0.625 -15.643 1.00 0.00 O ATOM 0 H SER A 19 -1.963 0.812 -12.180 1.00 0.00 H new ATOM 0 HA SER A 19 -3.129 -1.030 -13.917 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.956 0.958 -14.699 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.453 0.425 -13.971 1.00 0.00 H new ATOM 0 HG SER A 19 -0.540 -0.034 -16.244 1.00 0.00 H new ATOM 276 N SER A 20 -0.719 -2.250 -12.156 1.00 0.00 N ATOM 277 CA SER A 20 0.034 -3.458 -11.840 1.00 0.00 C ATOM 278 C SER A 20 -0.842 -4.699 -11.990 1.00 0.00 C ATOM 279 O SER A 20 -2.057 -4.642 -11.801 1.00 0.00 O ATOM 280 CB SER A 20 0.589 -3.382 -10.417 1.00 0.00 C ATOM 281 OG SER A 20 -0.453 -3.444 -9.459 1.00 0.00 O ATOM 0 H SER A 20 -0.663 -1.520 -11.445 1.00 0.00 H new ATOM 0 HA SER A 20 0.864 -3.532 -12.542 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.288 -4.202 -10.252 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.149 -2.455 -10.291 1.00 0.00 H new ATOM 0 HG SER A 20 -1.277 -3.082 -9.848 1.00 0.00 H new ATOM 287 N LYS A 21 -0.215 -5.820 -12.332 1.00 0.00 N ATOM 288 CA LYS A 21 -0.934 -7.076 -12.507 1.00 0.00 C ATOM 289 C LYS A 21 -1.047 -7.827 -11.184 1.00 0.00 C ATOM 290 O LYS A 21 -1.937 -8.660 -11.006 1.00 0.00 O ATOM 291 CB LYS A 21 -0.227 -7.952 -13.544 1.00 0.00 C ATOM 292 CG LYS A 21 0.023 -7.247 -14.866 1.00 0.00 C ATOM 293 CD LYS A 21 -1.264 -6.699 -15.458 1.00 0.00 C ATOM 294 CE LYS A 21 -1.132 -6.461 -16.955 1.00 0.00 C ATOM 295 NZ LYS A 21 -1.491 -7.673 -17.742 1.00 0.00 N ATOM 0 H LYS A 21 0.790 -5.884 -12.493 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.939 -6.844 -12.860 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.726 -8.288 -13.135 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.828 -8.843 -13.725 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.732 -6.432 -14.717 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.481 -7.943 -15.569 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.079 -7.398 -15.270 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.525 -5.764 -14.962 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.776 -5.633 -17.249 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.108 -6.167 -17.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.388 -7.471 -18.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.860 -8.457 -17.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.476 -7.939 -17.540 1.00 0.00 H new ATOM 309 N LEU A 22 -0.143 -7.526 -10.259 1.00 0.00 N ATOM 310 CA LEU A 22 -0.142 -8.172 -8.951 1.00 0.00 C ATOM 311 C LEU A 22 -1.556 -8.262 -8.387 1.00 0.00 C ATOM 312 O LEU A 22 -2.141 -7.256 -7.987 1.00 0.00 O ATOM 313 CB LEU A 22 0.758 -7.404 -7.981 1.00 0.00 C ATOM 314 CG LEU A 22 1.189 -6.007 -8.430 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.399 -5.101 -7.226 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.456 -6.083 -9.269 1.00 0.00 C ATOM 0 H LEU A 22 0.599 -6.839 -10.390 1.00 0.00 H new ATOM 0 HA LEU A 22 0.246 -9.183 -9.073 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.237 -7.313 -7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.654 -7.998 -7.800 1.00 0.00 H new ATOM 0 HG LEU A 22 0.395 -5.583 -9.045 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.705 -4.111 -7.564 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.468 -5.021 -6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.174 -5.521 -6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.748 -5.080 -9.579 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.257 -6.527 -8.679 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.272 -6.697 -10.151 1.00 0.00 H new ATOM 328 N VAL A 23 -2.100 -9.475 -8.357 1.00 0.00 N ATOM 329 CA VAL A 23 -3.445 -9.697 -7.839 1.00 0.00 C ATOM 330 C VAL A 23 -3.402 -10.261 -6.423 1.00 0.00 C ATOM 331 O VAL A 23 -2.489 -11.007 -6.068 1.00 0.00 O ATOM 332 CB VAL A 23 -4.241 -10.659 -8.740 1.00 0.00 C ATOM 333 CG1 VAL A 23 -3.549 -12.011 -8.821 1.00 0.00 C ATOM 334 CG2 VAL A 23 -5.666 -10.811 -8.228 1.00 0.00 C ATOM 0 H VAL A 23 -1.630 -10.319 -8.685 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.944 -8.728 -7.826 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.282 -10.238 -9.745 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.126 -12.677 -9.462 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.549 -11.884 -9.236 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.475 -12.442 -7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.215 -11.494 -8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.648 -11.209 -7.214 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.158 -9.838 -8.227 1.00 0.00 H new ATOM 344 N CYS A 24 -4.396 -9.902 -5.619 1.00 0.00 N ATOM 345 CA CYS A 24 -4.474 -10.372 -4.241 1.00 0.00 C ATOM 346 C CYS A 24 -5.764 -11.152 -4.004 1.00 0.00 C ATOM 347 O CYS A 24 -5.803 -12.073 -3.189 1.00 0.00 O ATOM 348 CB CYS A 24 -4.394 -9.190 -3.272 1.00 0.00 C ATOM 349 SG CYS A 24 -5.269 -9.460 -1.697 1.00 0.00 S ATOM 0 H CYS A 24 -5.160 -9.286 -5.898 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.630 -11.038 -4.062 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.346 -8.977 -3.061 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.807 -8.306 -3.758 1.00 0.00 H new ATOM 354 N SER A 25 -6.816 -10.776 -4.723 1.00 0.00 N ATOM 355 CA SER A 25 -8.109 -11.437 -4.589 1.00 0.00 C ATOM 356 C SER A 25 -8.070 -12.835 -5.197 1.00 0.00 C ATOM 357 O SER A 25 -8.372 -13.824 -4.529 1.00 0.00 O ATOM 358 CB SER A 25 -9.203 -10.606 -5.262 1.00 0.00 C ATOM 359 OG SER A 25 -10.492 -11.045 -4.869 1.00 0.00 O ATOM 0 H SER A 25 -6.799 -10.017 -5.404 1.00 0.00 H new ATOM 0 HA SER A 25 -8.334 -11.528 -3.526 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.078 -9.555 -5.001 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.105 -10.679 -6.345 1.00 0.00 H new ATOM 0 HG SER A 25 -11.173 -10.497 -5.311 1.00 0.00 H new ATOM 365 N ARG A 26 -7.695 -12.909 -6.470 1.00 0.00 N ATOM 366 CA ARG A 26 -7.617 -14.185 -7.171 1.00 0.00 C ATOM 367 C ARG A 26 -6.902 -15.230 -6.319 1.00 0.00 C ATOM 368 O ARG A 26 -7.445 -16.300 -6.044 1.00 0.00 O ATOM 369 CB ARG A 26 -6.889 -14.015 -8.506 1.00 0.00 C ATOM 370 CG ARG A 26 -7.752 -13.399 -9.596 1.00 0.00 C ATOM 371 CD ARG A 26 -7.022 -13.362 -10.929 1.00 0.00 C ATOM 372 NE ARG A 26 -7.838 -12.765 -11.983 1.00 0.00 N ATOM 373 CZ ARG A 26 -7.336 -12.265 -13.107 1.00 0.00 C ATOM 374 NH1 ARG A 26 -6.028 -12.291 -13.322 1.00 0.00 N ATOM 375 NH2 ARG A 26 -8.144 -11.739 -14.019 1.00 0.00 N ATOM 0 H ARG A 26 -7.440 -12.100 -7.037 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.634 -14.529 -7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.010 -13.389 -8.354 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.533 -14.989 -8.843 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.673 -13.972 -9.700 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.037 -12.387 -9.308 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.098 -12.794 -10.821 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.742 -14.375 -11.217 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.849 -12.730 -11.849 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.404 -12.696 -12.624 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.645 -11.906 -14.186 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.151 -11.718 -13.857 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.758 -11.355 -14.882 1.00 0.00 H new ATOM 389 N LYS A 27 -5.680 -14.913 -5.905 1.00 0.00 N ATOM 390 CA LYS A 27 -4.890 -15.822 -5.085 1.00 0.00 C ATOM 391 C LYS A 27 -5.062 -15.506 -3.602 1.00 0.00 C ATOM 392 O LYS A 27 -5.946 -14.740 -3.218 1.00 0.00 O ATOM 393 CB LYS A 27 -3.411 -15.733 -5.468 1.00 0.00 C ATOM 394 CG LYS A 27 -3.172 -15.692 -6.967 1.00 0.00 C ATOM 395 CD LYS A 27 -1.761 -16.132 -7.320 1.00 0.00 C ATOM 396 CE LYS A 27 -1.670 -16.610 -8.761 1.00 0.00 C ATOM 397 NZ LYS A 27 -2.227 -15.610 -9.713 1.00 0.00 N ATOM 0 H LYS A 27 -5.215 -14.032 -6.125 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.245 -16.836 -5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.980 -14.840 -5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.883 -16.589 -5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.892 -16.339 -7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.341 -14.680 -7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.071 -15.302 -7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.450 -16.933 -6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.628 -16.810 -9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.209 -17.551 -8.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.982 -15.883 -10.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.262 -15.575 -9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.827 -14.673 -9.505 1.00 0.00 H new ATOM 411 N THR A 28 -4.210 -16.100 -2.772 1.00 0.00 N ATOM 412 CA THR A 28 -4.267 -15.882 -1.332 1.00 0.00 C ATOM 413 C THR A 28 -4.238 -14.394 -1.000 1.00 0.00 C ATOM 414 O THR A 28 -4.092 -13.553 -1.888 1.00 0.00 O ATOM 415 CB THR A 28 -3.099 -16.580 -0.611 1.00 0.00 C ATOM 416 OG1 THR A 28 -2.499 -17.551 -1.476 1.00 0.00 O ATOM 417 CG2 THR A 28 -3.578 -17.258 0.664 1.00 0.00 C ATOM 0 H THR A 28 -3.472 -16.736 -3.073 1.00 0.00 H new ATOM 0 HA THR A 28 -5.207 -16.311 -0.984 1.00 0.00 H new ATOM 0 HB THR A 28 -2.360 -15.823 -0.347 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.756 -17.989 -1.011 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.736 -17.744 1.156 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.008 -16.513 1.333 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.334 -18.004 0.418 1.00 0.00 H new ATOM 425 N ARG A 29 -4.377 -14.076 0.282 1.00 0.00 N ATOM 426 CA ARG A 29 -4.367 -12.689 0.731 1.00 0.00 C ATOM 427 C ARG A 29 -3.141 -11.954 0.198 1.00 0.00 C ATOM 428 O ARG A 29 -3.123 -10.726 0.129 1.00 0.00 O ATOM 429 CB ARG A 29 -4.389 -12.625 2.259 1.00 0.00 C ATOM 430 CG ARG A 29 -3.360 -13.527 2.922 1.00 0.00 C ATOM 431 CD ARG A 29 -1.977 -12.895 2.911 1.00 0.00 C ATOM 432 NE ARG A 29 -1.452 -12.705 4.260 1.00 0.00 N ATOM 433 CZ ARG A 29 -0.848 -13.662 4.956 1.00 0.00 C ATOM 434 NH1 ARG A 29 -0.693 -14.870 4.431 1.00 0.00 N ATOM 435 NH2 ARG A 29 -0.396 -13.412 6.178 1.00 0.00 N ATOM 0 H ARG A 29 -4.498 -14.760 1.029 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.260 -12.201 0.341 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.214 -11.596 2.574 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.383 -12.901 2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.661 -13.730 3.950 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.327 -14.486 2.404 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.294 -13.526 2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.022 -11.933 2.401 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.555 -11.787 4.692 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.038 -15.066 3.491 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.229 -15.603 4.967 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.512 -12.484 6.585 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.067 -14.148 6.711 1.00 0.00 H new ATOM 449 N ALA A 30 -2.118 -12.715 -0.177 1.00 0.00 N ATOM 450 CA ALA A 30 -0.889 -12.137 -0.705 1.00 0.00 C ATOM 451 C ALA A 30 -1.092 -11.618 -2.125 1.00 0.00 C ATOM 452 O ALA A 30 -1.763 -12.254 -2.939 1.00 0.00 O ATOM 453 CB ALA A 30 0.234 -13.163 -0.671 1.00 0.00 C ATOM 0 H ALA A 30 -2.116 -13.734 -0.125 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.613 -11.292 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.146 -12.718 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.404 -13.482 0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.043 -14.025 -1.278 1.00 0.00 H new ATOM 459 N CYS A 31 -0.508 -10.461 -2.416 1.00 0.00 N ATOM 460 CA CYS A 31 -0.626 -9.855 -3.737 1.00 0.00 C ATOM 461 C CYS A 31 0.624 -10.122 -4.571 1.00 0.00 C ATOM 462 O CYS A 31 1.722 -9.687 -4.221 1.00 0.00 O ATOM 463 CB CYS A 31 -0.857 -8.348 -3.612 1.00 0.00 C ATOM 464 SG CYS A 31 -1.956 -7.656 -4.889 1.00 0.00 S ATOM 0 H CYS A 31 0.052 -9.924 -1.754 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.481 -10.306 -4.241 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.280 -8.136 -2.630 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.105 -7.838 -3.661 1.00 0.00 H new ATOM 469 N LYS A 32 0.450 -10.841 -5.675 1.00 0.00 N ATOM 470 CA LYS A 32 1.562 -11.165 -6.560 1.00 0.00 C ATOM 471 C LYS A 32 1.100 -11.231 -8.012 1.00 0.00 C ATOM 472 O LYS A 32 -0.049 -11.570 -8.293 1.00 0.00 O ATOM 473 CB LYS A 32 2.193 -12.499 -6.153 1.00 0.00 C ATOM 474 CG LYS A 32 1.389 -13.711 -6.593 1.00 0.00 C ATOM 475 CD LYS A 32 1.160 -14.676 -5.441 1.00 0.00 C ATOM 476 CE LYS A 32 2.115 -15.858 -5.507 1.00 0.00 C ATOM 477 NZ LYS A 32 1.956 -16.630 -6.770 1.00 0.00 N ATOM 0 H LYS A 32 -0.451 -11.210 -5.978 1.00 0.00 H new ATOM 0 HA LYS A 32 2.308 -10.375 -6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.194 -12.563 -6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.306 -12.522 -5.069 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.429 -13.386 -6.993 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.913 -14.223 -7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.292 -14.152 -4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.131 -15.036 -5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.142 -15.500 -5.427 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.939 -16.515 -4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.161 -17.634 -6.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.980 -16.532 -7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.616 -16.264 -7.486 1.00 0.00 H new ATOM 491 N TYR A 33 2.003 -10.906 -8.931 1.00 0.00 N ATOM 492 CA TYR A 33 1.687 -10.928 -10.354 1.00 0.00 C ATOM 493 C TYR A 33 1.391 -12.348 -10.825 1.00 0.00 C ATOM 494 O TYR A 33 2.098 -13.291 -10.470 1.00 0.00 O ATOM 495 CB TYR A 33 2.845 -10.342 -11.164 1.00 0.00 C ATOM 496 CG TYR A 33 4.042 -11.261 -11.263 1.00 0.00 C ATOM 497 CD1 TYR A 33 4.921 -11.406 -10.197 1.00 0.00 C ATOM 498 CD2 TYR A 33 4.291 -11.985 -12.422 1.00 0.00 C ATOM 499 CE1 TYR A 33 6.016 -12.245 -10.284 1.00 0.00 C ATOM 500 CE2 TYR A 33 5.383 -12.827 -12.517 1.00 0.00 C ATOM 501 CZ TYR A 33 6.242 -12.953 -11.446 1.00 0.00 C ATOM 502 OH TYR A 33 7.330 -13.790 -11.535 1.00 0.00 O ATOM 0 H TYR A 33 2.959 -10.624 -8.716 1.00 0.00 H new ATOM 0 HA TYR A 33 0.797 -10.319 -10.511 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.493 -10.109 -12.169 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.156 -9.402 -10.709 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.746 -10.854 -9.285 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.620 -11.888 -13.263 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.691 -12.346 -9.447 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.562 -13.383 -13.425 1.00 0.00 H new ATOM 0 HH TYR A 33 7.345 -14.215 -12.418 1.00 0.00 H new ATOM 512 N GLN A 34 0.340 -12.492 -11.626 1.00 0.00 N ATOM 513 CA GLN A 34 -0.051 -13.797 -12.146 1.00 0.00 C ATOM 514 C GLN A 34 1.111 -14.462 -12.876 1.00 0.00 C ATOM 515 O GLN A 34 1.957 -13.786 -13.463 1.00 0.00 O ATOM 516 CB GLN A 34 -1.247 -13.656 -13.088 1.00 0.00 C ATOM 517 CG GLN A 34 -1.000 -12.705 -14.248 1.00 0.00 C ATOM 518 CD GLN A 34 -0.365 -13.392 -15.441 1.00 0.00 C ATOM 519 OE1 GLN A 34 -0.409 -14.617 -15.562 1.00 0.00 O ATOM 520 NE2 GLN A 34 0.229 -12.606 -16.331 1.00 0.00 N ATOM 0 H GLN A 34 -0.256 -11.721 -11.929 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.334 -14.427 -11.303 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.505 -14.638 -13.483 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.108 -13.305 -12.519 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.946 -12.256 -14.553 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.354 -11.892 -13.915 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.242 -11.596 -16.191 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.673 -13.012 -17.155 1.00 0.00 H new ATOM 529 N ILE A 35 1.146 -15.790 -12.836 1.00 0.00 N ATOM 530 CA ILE A 35 2.204 -16.546 -13.494 1.00 0.00 C ATOM 531 C ILE A 35 2.032 -16.527 -15.009 1.00 0.00 C ATOM 532 O ILE A 35 3.008 -16.446 -15.755 1.00 0.00 O ATOM 533 CB ILE A 35 2.237 -18.007 -13.010 1.00 0.00 C ATOM 534 CG1 ILE A 35 2.298 -18.060 -11.482 1.00 0.00 C ATOM 535 CG2 ILE A 35 3.422 -18.741 -13.619 1.00 0.00 C ATOM 536 CD1 ILE A 35 2.233 -19.464 -10.923 1.00 0.00 C ATOM 0 H ILE A 35 0.454 -16.364 -12.355 1.00 0.00 H new ATOM 0 HA ILE A 35 3.146 -16.064 -13.232 1.00 0.00 H new ATOM 0 HB ILE A 35 1.322 -18.502 -13.336 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.221 -17.586 -11.147 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.473 -17.476 -11.073 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.431 -19.773 -13.267 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.338 -18.729 -14.706 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.347 -18.248 -13.321 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.281 -19.425 -9.835 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.298 -19.934 -11.228 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.073 -20.046 -11.303 1.00 0.00 H new TER 548 ILE A 35