USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 271 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 25 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 28 THR OG1 : rot 180:sc= 1.11 USER MOD Single : A 1 GLU N :NH3+ -174:sc= -0.225 (180deg=-0.291) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0165 K(o=-0.017,f=-3.5!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0501 K(o=-0.05,f=-1.6) USER MOD Single : A 15 GLN : amide:sc= -0.0568 K(o=-0.057,f=-0.97) USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= -0.0102 (180deg=-0.0122) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -129:sc= -0.221 (180deg=-0.585) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.361 0.929 -2.170 1.00 0.00 N ATOM 2 CA GLU A 1 2.148 -0.028 -1.090 1.00 0.00 C ATOM 3 C GLU A 1 2.822 -1.361 -1.403 1.00 0.00 C ATOM 4 O GLU A 1 3.056 -2.176 -0.511 1.00 0.00 O ATOM 5 CB GLU A 1 0.652 -0.243 -0.856 1.00 0.00 C ATOM 6 CG GLU A 1 -0.017 -1.088 -1.928 1.00 0.00 C ATOM 7 CD GLU A 1 -1.506 -0.826 -2.033 1.00 0.00 C ATOM 8 OE1 GLU A 1 -1.913 0.346 -1.892 1.00 0.00 O ATOM 9 OE2 GLU A 1 -2.265 -1.793 -2.255 1.00 0.00 O ATOM 0 H1 GLU A 1 1.982 1.857 -1.892 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.379 1.014 -2.362 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.873 0.599 -3.027 1.00 0.00 H new ATOM 0 HA GLU A 1 2.595 0.381 -0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.510 -0.721 0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 1 0.157 0.727 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.452 -0.885 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.148 -2.143 -1.709 1.00 0.00 H new ATOM 16 N CYS A 2 3.131 -1.575 -2.678 1.00 0.00 N ATOM 17 CA CYS A 2 3.777 -2.809 -3.111 1.00 0.00 C ATOM 18 C CYS A 2 5.103 -2.513 -3.806 1.00 0.00 C ATOM 19 O CYS A 2 5.526 -1.360 -3.895 1.00 0.00 O ATOM 20 CB CYS A 2 2.857 -3.586 -4.054 1.00 0.00 C ATOM 21 SG CYS A 2 2.091 -2.567 -5.355 1.00 0.00 S ATOM 0 H CYS A 2 2.945 -0.910 -3.429 1.00 0.00 H new ATOM 0 HA CYS A 2 3.977 -3.415 -2.228 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.429 -4.386 -4.524 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.069 -4.059 -3.467 1.00 0.00 H new ATOM 26 N LEU A 3 5.753 -3.562 -4.297 1.00 0.00 N ATOM 27 CA LEU A 3 7.031 -3.416 -4.985 1.00 0.00 C ATOM 28 C LEU A 3 6.831 -2.877 -6.398 1.00 0.00 C ATOM 29 O LEU A 3 5.701 -2.679 -6.842 1.00 0.00 O ATOM 30 CB LEU A 3 7.761 -4.760 -5.039 1.00 0.00 C ATOM 31 CG LEU A 3 8.652 -5.088 -3.840 1.00 0.00 C ATOM 32 CD1 LEU A 3 8.072 -4.494 -2.566 1.00 0.00 C ATOM 33 CD2 LEU A 3 8.823 -6.593 -3.699 1.00 0.00 C ATOM 0 H LEU A 3 5.416 -4.523 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 3 7.636 -2.703 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.018 -5.551 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.375 -4.781 -5.939 1.00 0.00 H new ATOM 0 HG LEU A 3 9.634 -4.645 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.719 -4.738 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.002 -3.411 -2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.078 -4.907 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.460 -6.808 -2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.848 -7.058 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.284 -6.993 -4.602 1.00 0.00 H new ATOM 45 N GLU A 4 7.936 -2.643 -7.099 1.00 0.00 N ATOM 46 CA GLU A 4 7.881 -2.129 -8.462 1.00 0.00 C ATOM 47 C GLU A 4 8.555 -3.092 -9.435 1.00 0.00 C ATOM 48 O GLU A 4 8.990 -4.177 -9.049 1.00 0.00 O ATOM 49 CB GLU A 4 8.551 -0.755 -8.540 1.00 0.00 C ATOM 50 CG GLU A 4 7.571 0.391 -8.728 1.00 0.00 C ATOM 51 CD GLU A 4 8.130 1.719 -8.258 1.00 0.00 C ATOM 52 OE1 GLU A 4 8.222 1.922 -7.029 1.00 0.00 O ATOM 53 OE2 GLU A 4 8.476 2.556 -9.118 1.00 0.00 O ATOM 0 H GLU A 4 8.880 -2.801 -6.745 1.00 0.00 H new ATOM 0 HA GLU A 4 6.833 -2.031 -8.744 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.123 -0.587 -7.627 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.262 -0.753 -9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.304 0.466 -9.782 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.654 0.173 -8.181 1.00 0.00 H new ATOM 60 N ILE A 5 8.636 -2.687 -10.698 1.00 0.00 N ATOM 61 CA ILE A 5 9.256 -3.513 -11.726 1.00 0.00 C ATOM 62 C ILE A 5 10.777 -3.470 -11.623 1.00 0.00 C ATOM 63 O ILE A 5 11.359 -2.433 -11.301 1.00 0.00 O ATOM 64 CB ILE A 5 8.837 -3.064 -13.139 1.00 0.00 C ATOM 65 CG1 ILE A 5 7.435 -3.583 -13.467 1.00 0.00 C ATOM 66 CG2 ILE A 5 9.843 -3.551 -14.170 1.00 0.00 C ATOM 67 CD1 ILE A 5 7.363 -5.088 -13.595 1.00 0.00 C ATOM 0 H ILE A 5 8.280 -1.792 -11.034 1.00 0.00 H new ATOM 0 HA ILE A 5 8.911 -4.533 -11.560 1.00 0.00 H new ATOM 0 HB ILE A 5 8.817 -1.975 -13.167 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.745 -3.259 -12.688 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.098 -3.131 -14.400 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.533 -3.226 -15.163 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.826 -3.137 -13.943 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.893 -4.640 -14.144 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.340 -5.385 -13.828 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.027 -5.417 -14.394 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.669 -5.548 -12.655 1.00 0.00 H new ATOM 79 N PHE A 6 11.416 -4.602 -11.898 1.00 0.00 N ATOM 80 CA PHE A 6 12.870 -4.694 -11.836 1.00 0.00 C ATOM 81 C PHE A 6 13.361 -4.597 -10.394 1.00 0.00 C ATOM 82 O PHE A 6 14.523 -4.280 -10.142 1.00 0.00 O ATOM 83 CB PHE A 6 13.508 -3.588 -12.679 1.00 0.00 C ATOM 84 CG PHE A 6 14.301 -4.104 -13.845 1.00 0.00 C ATOM 85 CD1 PHE A 6 13.720 -4.953 -14.773 1.00 0.00 C ATOM 86 CD2 PHE A 6 15.628 -3.742 -14.013 1.00 0.00 C ATOM 87 CE1 PHE A 6 14.446 -5.430 -15.848 1.00 0.00 C ATOM 88 CE2 PHE A 6 16.359 -4.215 -15.086 1.00 0.00 C ATOM 89 CZ PHE A 6 15.768 -5.061 -16.004 1.00 0.00 C ATOM 0 H PHE A 6 10.950 -5.469 -12.166 1.00 0.00 H new ATOM 0 HA PHE A 6 13.165 -5.664 -12.237 1.00 0.00 H new ATOM 0 HB2 PHE A 6 12.725 -2.926 -13.047 1.00 0.00 H new ATOM 0 HB3 PHE A 6 14.160 -2.988 -12.044 1.00 0.00 H new ATOM 0 HD1 PHE A 6 12.687 -5.246 -14.655 1.00 0.00 H new ATOM 0 HD2 PHE A 6 16.096 -3.083 -13.297 1.00 0.00 H new ATOM 0 HE1 PHE A 6 13.980 -6.090 -16.565 1.00 0.00 H new ATOM 0 HE2 PHE A 6 17.392 -3.923 -15.207 1.00 0.00 H new ATOM 0 HZ PHE A 6 16.338 -5.433 -16.842 1.00 0.00 H new ATOM 99 N LYS A 7 12.466 -4.873 -9.452 1.00 0.00 N ATOM 100 CA LYS A 7 12.805 -4.819 -8.035 1.00 0.00 C ATOM 101 C LYS A 7 13.066 -6.217 -7.484 1.00 0.00 C ATOM 102 O LYS A 7 12.365 -7.169 -7.825 1.00 0.00 O ATOM 103 CB LYS A 7 11.678 -4.150 -7.245 1.00 0.00 C ATOM 104 CG LYS A 7 11.669 -2.635 -7.361 1.00 0.00 C ATOM 105 CD LYS A 7 12.784 -2.006 -6.544 1.00 0.00 C ATOM 106 CE LYS A 7 12.659 -0.491 -6.503 1.00 0.00 C ATOM 107 NZ LYS A 7 13.420 0.158 -7.606 1.00 0.00 N ATOM 0 H LYS A 7 11.500 -5.137 -9.644 1.00 0.00 H new ATOM 0 HA LYS A 7 13.716 -4.230 -7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.721 -4.538 -7.594 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.770 -4.425 -6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.778 -2.349 -8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.707 -2.249 -7.023 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.760 -2.402 -5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.749 -2.281 -6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.608 -0.211 -6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.024 -0.122 -5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.310 1.190 -7.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.427 -0.088 -7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.055 -0.174 -8.522 1.00 0.00 H new ATOM 121 N ALA A 8 14.077 -6.332 -6.629 1.00 0.00 N ATOM 122 CA ALA A 8 14.427 -7.613 -6.029 1.00 0.00 C ATOM 123 C ALA A 8 13.206 -8.279 -5.403 1.00 0.00 C ATOM 124 O ALA A 8 12.652 -7.786 -4.420 1.00 0.00 O ATOM 125 CB ALA A 8 15.520 -7.426 -4.987 1.00 0.00 C ATOM 0 H ALA A 8 14.668 -5.554 -6.337 1.00 0.00 H new ATOM 0 HA ALA A 8 14.799 -8.266 -6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.772 -8.391 -4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.405 -7.001 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.167 -6.752 -4.206 1.00 0.00 H new ATOM 131 N CYS A 9 12.789 -9.401 -5.980 1.00 0.00 N ATOM 132 CA CYS A 9 11.632 -10.134 -5.481 1.00 0.00 C ATOM 133 C CYS A 9 12.047 -11.498 -4.936 1.00 0.00 C ATOM 134 O CYS A 9 12.930 -12.155 -5.485 1.00 0.00 O ATOM 135 CB CYS A 9 10.595 -10.310 -6.591 1.00 0.00 C ATOM 136 SG CYS A 9 11.078 -11.508 -7.877 1.00 0.00 S ATOM 0 H CYS A 9 13.236 -9.823 -6.794 1.00 0.00 H new ATOM 0 HA CYS A 9 11.190 -9.557 -4.669 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.653 -10.631 -6.146 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.413 -9.343 -7.060 1.00 0.00 H new ATOM 141 N ASN A 10 11.401 -11.918 -3.852 1.00 0.00 N ATOM 142 CA ASN A 10 11.702 -13.203 -3.233 1.00 0.00 C ATOM 143 C ASN A 10 10.427 -13.885 -2.746 1.00 0.00 C ATOM 144 O ASN A 10 9.388 -13.251 -2.559 1.00 0.00 O ATOM 145 CB ASN A 10 12.671 -13.015 -2.064 1.00 0.00 C ATOM 146 CG ASN A 10 14.122 -13.114 -2.493 1.00 0.00 C ATOM 147 OD1 ASN A 10 14.585 -14.175 -2.912 1.00 0.00 O ATOM 148 ND2 ASN A 10 14.846 -12.006 -2.391 1.00 0.00 N ATOM 0 H ASN A 10 10.666 -11.387 -3.385 1.00 0.00 H new ATOM 0 HA ASN A 10 12.169 -13.839 -3.985 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.497 -12.042 -1.604 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.468 -13.768 -1.303 1.00 0.00 H new ATOM 0 HD21 ASN A 10 15.828 -12.012 -2.666 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.420 -11.149 -2.038 1.00 0.00 H new ATOM 155 N PRO A 11 10.505 -15.207 -2.536 1.00 0.00 N ATOM 156 CA PRO A 11 9.367 -16.003 -2.068 1.00 0.00 C ATOM 157 C PRO A 11 9.002 -15.696 -0.620 1.00 0.00 C ATOM 158 O PRO A 11 7.934 -16.083 -0.143 1.00 0.00 O ATOM 159 CB PRO A 11 9.865 -17.445 -2.199 1.00 0.00 C ATOM 160 CG PRO A 11 11.349 -17.343 -2.110 1.00 0.00 C ATOM 161 CD PRO A 11 11.712 -16.026 -2.739 1.00 0.00 C ATOM 0 HA PRO A 11 8.462 -15.796 -2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.463 -18.076 -1.406 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.555 -17.887 -3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.682 -17.385 -1.073 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.829 -18.170 -2.632 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.585 -15.580 -2.262 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.949 -16.138 -3.797 1.00 0.00 H new ATOM 169 N SER A 12 9.894 -14.998 0.076 1.00 0.00 N ATOM 170 CA SER A 12 9.666 -14.642 1.471 1.00 0.00 C ATOM 171 C SER A 12 9.109 -13.226 1.587 1.00 0.00 C ATOM 172 O SER A 12 8.463 -12.880 2.575 1.00 0.00 O ATOM 173 CB SER A 12 10.967 -14.757 2.268 1.00 0.00 C ATOM 174 OG SER A 12 11.054 -16.009 2.925 1.00 0.00 O ATOM 0 H SER A 12 10.781 -14.668 -0.304 1.00 0.00 H new ATOM 0 HA SER A 12 8.933 -15.337 1.882 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.819 -14.634 1.599 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.019 -13.953 3.002 1.00 0.00 H new ATOM 0 HG SER A 12 11.895 -16.058 3.426 1.00 0.00 H new ATOM 180 N ASN A 13 9.365 -12.412 0.568 1.00 0.00 N ATOM 181 CA ASN A 13 8.891 -11.033 0.554 1.00 0.00 C ATOM 182 C ASN A 13 7.970 -10.786 -0.637 1.00 0.00 C ATOM 183 O ASN A 13 8.272 -9.974 -1.511 1.00 0.00 O ATOM 184 CB ASN A 13 10.074 -10.064 0.507 1.00 0.00 C ATOM 185 CG ASN A 13 9.758 -8.732 1.159 1.00 0.00 C ATOM 186 OD1 ASN A 13 8.614 -8.465 1.528 1.00 0.00 O ATOM 187 ND2 ASN A 13 10.773 -7.888 1.303 1.00 0.00 N ATOM 0 H ASN A 13 9.898 -12.683 -0.258 1.00 0.00 H new ATOM 0 HA ASN A 13 8.326 -10.861 1.470 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.930 -10.516 1.008 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.363 -9.898 -0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 13 10.621 -6.976 1.734 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.705 -8.151 0.982 1.00 0.00 H new ATOM 194 N ASP A 14 6.845 -11.492 -0.664 1.00 0.00 N ATOM 195 CA ASP A 14 5.878 -11.350 -1.746 1.00 0.00 C ATOM 196 C ASP A 14 5.084 -10.055 -1.599 1.00 0.00 C ATOM 197 O ASP A 14 3.891 -10.079 -1.299 1.00 0.00 O ATOM 198 CB ASP A 14 4.926 -12.546 -1.770 1.00 0.00 C ATOM 199 CG ASP A 14 5.441 -13.679 -2.636 1.00 0.00 C ATOM 200 OD1 ASP A 14 5.598 -13.468 -3.857 1.00 0.00 O ATOM 201 OD2 ASP A 14 5.688 -14.776 -2.093 1.00 0.00 O ATOM 0 H ASP A 14 6.580 -12.169 0.052 1.00 0.00 H new ATOM 0 HA ASP A 14 6.427 -11.314 -2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 14 4.777 -12.909 -0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.952 -12.224 -2.139 1.00 0.00 H new ATOM 206 N GLN A 15 5.756 -8.928 -1.810 1.00 0.00 N ATOM 207 CA GLN A 15 5.113 -7.624 -1.699 1.00 0.00 C ATOM 208 C GLN A 15 4.654 -7.125 -3.065 1.00 0.00 C ATOM 209 O GLN A 15 3.781 -6.261 -3.161 1.00 0.00 O ATOM 210 CB GLN A 15 6.070 -6.612 -1.067 1.00 0.00 C ATOM 211 CG GLN A 15 6.179 -6.738 0.444 1.00 0.00 C ATOM 212 CD GLN A 15 5.046 -6.040 1.170 1.00 0.00 C ATOM 213 OE1 GLN A 15 4.588 -4.976 0.753 1.00 0.00 O ATOM 214 NE2 GLN A 15 4.588 -6.636 2.265 1.00 0.00 N ATOM 0 H GLN A 15 6.745 -8.891 -2.059 1.00 0.00 H new ATOM 0 HA GLN A 15 4.237 -7.732 -1.060 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.060 -6.738 -1.506 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.736 -5.605 -1.316 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.185 -7.793 0.717 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.130 -6.318 0.772 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.997 -7.518 2.575 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.827 -6.212 2.796 1.00 0.00 H new ATOM 223 N CYS A 16 5.249 -7.672 -4.120 1.00 0.00 N ATOM 224 CA CYS A 16 4.903 -7.282 -5.481 1.00 0.00 C ATOM 225 C CYS A 16 3.394 -7.350 -5.699 1.00 0.00 C ATOM 226 O CYS A 16 2.747 -8.335 -5.343 1.00 0.00 O ATOM 227 CB CYS A 16 5.616 -8.186 -6.489 1.00 0.00 C ATOM 228 SG CYS A 16 7.133 -7.463 -7.192 1.00 0.00 S ATOM 0 H CYS A 16 5.974 -8.387 -4.058 1.00 0.00 H new ATOM 0 HA CYS A 16 5.228 -6.253 -5.632 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.867 -9.128 -6.002 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.928 -8.421 -7.301 1.00 0.00 H new ATOM 233 N CYS A 17 2.840 -6.295 -6.288 1.00 0.00 N ATOM 234 CA CYS A 17 1.408 -6.232 -6.555 1.00 0.00 C ATOM 235 C CYS A 17 0.999 -7.285 -7.582 1.00 0.00 C ATOM 236 O CYS A 17 0.999 -7.027 -8.786 1.00 0.00 O ATOM 237 CB CYS A 17 1.021 -4.839 -7.054 1.00 0.00 C ATOM 238 SG CYS A 17 0.389 -3.731 -5.753 1.00 0.00 S ATOM 0 H CYS A 17 3.362 -5.472 -6.589 1.00 0.00 H new ATOM 0 HA CYS A 17 0.881 -6.435 -5.623 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.892 -4.376 -7.519 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.262 -4.941 -7.830 1.00 0.00 H new ATOM 243 N LYS A 18 0.651 -8.472 -7.097 1.00 0.00 N ATOM 244 CA LYS A 18 0.238 -9.564 -7.971 1.00 0.00 C ATOM 245 C LYS A 18 -1.204 -9.377 -8.431 1.00 0.00 C ATOM 246 O LYS A 18 -1.698 -10.126 -9.274 1.00 0.00 O ATOM 247 CB LYS A 18 0.385 -10.905 -7.249 1.00 0.00 C ATOM 248 CG LYS A 18 1.802 -11.193 -6.783 1.00 0.00 C ATOM 249 CD LYS A 18 2.556 -12.050 -7.786 1.00 0.00 C ATOM 250 CE LYS A 18 2.531 -13.519 -7.394 1.00 0.00 C ATOM 251 NZ LYS A 18 1.185 -14.123 -7.591 1.00 0.00 N ATOM 0 H LYS A 18 0.647 -8.702 -6.103 1.00 0.00 H new ATOM 0 HA LYS A 18 0.884 -9.558 -8.849 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.282 -10.919 -6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.061 -11.704 -7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.334 -10.254 -6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.773 -11.701 -5.819 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.114 -11.929 -8.775 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.589 -11.708 -7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.264 -14.065 -7.987 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.825 -13.621 -6.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.214 -15.129 -7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.492 -13.629 -6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.907 -14.034 -8.589 1.00 0.00 H new ATOM 265 N SER A 19 -1.873 -8.373 -7.874 1.00 0.00 N ATOM 266 CA SER A 19 -3.259 -8.090 -8.226 1.00 0.00 C ATOM 267 C SER A 19 -3.334 -7.130 -9.409 1.00 0.00 C ATOM 268 O SER A 19 -4.388 -6.966 -10.024 1.00 0.00 O ATOM 269 CB SER A 19 -4.001 -7.497 -7.026 1.00 0.00 C ATOM 270 OG SER A 19 -5.397 -7.717 -7.130 1.00 0.00 O ATOM 0 H SER A 19 -1.478 -7.742 -7.177 1.00 0.00 H new ATOM 0 HA SER A 19 -3.734 -9.028 -8.511 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.627 -7.945 -6.105 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.802 -6.427 -6.964 1.00 0.00 H new ATOM 0 HG SER A 19 -5.848 -7.330 -6.351 1.00 0.00 H new ATOM 276 N SER A 20 -2.208 -6.498 -9.722 1.00 0.00 N ATOM 277 CA SER A 20 -2.145 -5.551 -10.830 1.00 0.00 C ATOM 278 C SER A 20 -1.460 -6.176 -12.041 1.00 0.00 C ATOM 279 O SER A 20 -2.120 -6.627 -12.978 1.00 0.00 O ATOM 280 CB SER A 20 -1.398 -4.285 -10.404 1.00 0.00 C ATOM 281 OG SER A 20 -2.293 -3.202 -10.223 1.00 0.00 O ATOM 0 H SER A 20 -1.327 -6.624 -9.224 1.00 0.00 H new ATOM 0 HA SER A 20 -3.165 -5.287 -11.108 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.857 -4.473 -9.477 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.656 -4.025 -11.159 1.00 0.00 H new ATOM 0 HG SER A 20 -1.792 -2.406 -9.949 1.00 0.00 H new ATOM 287 N LYS A 21 -0.132 -6.200 -12.015 1.00 0.00 N ATOM 288 CA LYS A 21 0.645 -6.771 -13.109 1.00 0.00 C ATOM 289 C LYS A 21 2.080 -7.044 -12.673 1.00 0.00 C ATOM 290 O LYS A 21 2.973 -7.210 -13.505 1.00 0.00 O ATOM 291 CB LYS A 21 0.638 -5.826 -14.314 1.00 0.00 C ATOM 292 CG LYS A 21 0.732 -4.358 -13.936 1.00 0.00 C ATOM 293 CD LYS A 21 -0.619 -3.669 -14.033 1.00 0.00 C ATOM 294 CE LYS A 21 -0.472 -2.210 -14.434 1.00 0.00 C ATOM 295 NZ LYS A 21 -1.691 -1.419 -14.107 1.00 0.00 N ATOM 0 H LYS A 21 0.429 -5.830 -11.248 1.00 0.00 H new ATOM 0 HA LYS A 21 0.184 -7.717 -13.393 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.473 -6.078 -14.968 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.275 -5.987 -14.886 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.116 -4.267 -12.920 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.445 -3.858 -14.592 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.241 -4.187 -14.763 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.132 -3.734 -13.073 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.389 -1.778 -13.924 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.274 -2.146 -15.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.551 -0.430 -14.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.508 -1.815 -14.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.866 -1.459 -13.083 1.00 0.00 H new ATOM 309 N LEU A 22 2.296 -7.091 -11.363 1.00 0.00 N ATOM 310 CA LEU A 22 3.624 -7.346 -10.815 1.00 0.00 C ATOM 311 C LEU A 22 3.743 -8.785 -10.323 1.00 0.00 C ATOM 312 O LEU A 22 3.100 -9.174 -9.348 1.00 0.00 O ATOM 313 CB LEU A 22 3.920 -6.377 -9.669 1.00 0.00 C ATOM 314 CG LEU A 22 3.449 -4.936 -9.871 1.00 0.00 C ATOM 315 CD1 LEU A 22 4.073 -4.020 -8.829 1.00 0.00 C ATOM 316 CD2 LEU A 22 3.786 -4.457 -11.275 1.00 0.00 C ATOM 0 H LEU A 22 1.569 -6.956 -10.661 1.00 0.00 H new ATOM 0 HA LEU A 22 4.353 -7.192 -11.610 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.457 -6.766 -8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.996 -6.366 -9.498 1.00 0.00 H new ATOM 0 HG LEU A 22 2.366 -4.907 -9.749 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.727 -2.999 -8.988 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.781 -4.351 -7.832 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.159 -4.053 -8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.444 -3.430 -11.401 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.865 -4.501 -11.425 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.291 -5.097 -12.006 1.00 0.00 H new ATOM 328 N VAL A 23 4.572 -9.571 -11.002 1.00 0.00 N ATOM 329 CA VAL A 23 4.778 -10.966 -10.632 1.00 0.00 C ATOM 330 C VAL A 23 6.262 -11.314 -10.606 1.00 0.00 C ATOM 331 O VAL A 23 6.983 -11.081 -11.576 1.00 0.00 O ATOM 332 CB VAL A 23 4.056 -11.917 -11.605 1.00 0.00 C ATOM 333 CG1 VAL A 23 4.168 -13.357 -11.127 1.00 0.00 C ATOM 334 CG2 VAL A 23 2.599 -11.512 -11.764 1.00 0.00 C ATOM 0 H VAL A 23 5.112 -9.265 -11.812 1.00 0.00 H new ATOM 0 HA VAL A 23 4.360 -11.094 -9.633 1.00 0.00 H new ATOM 0 HB VAL A 23 4.538 -11.844 -12.580 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.652 -14.014 -11.827 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.219 -13.641 -11.070 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.714 -13.449 -10.141 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.105 -12.195 -12.455 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.102 -11.554 -10.795 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.544 -10.497 -12.156 1.00 0.00 H new ATOM 344 N CYS A 24 6.712 -11.875 -9.488 1.00 0.00 N ATOM 345 CA CYS A 24 8.111 -12.256 -9.333 1.00 0.00 C ATOM 346 C CYS A 24 8.550 -13.185 -10.461 1.00 0.00 C ATOM 347 O CYS A 24 8.170 -14.356 -10.498 1.00 0.00 O ATOM 348 CB CYS A 24 8.329 -12.938 -7.981 1.00 0.00 C ATOM 349 SG CYS A 24 10.080 -13.211 -7.559 1.00 0.00 S ATOM 0 H CYS A 24 6.128 -12.076 -8.676 1.00 0.00 H new ATOM 0 HA CYS A 24 8.715 -11.350 -9.377 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.869 -12.331 -7.201 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.813 -13.898 -7.983 1.00 0.00 H new ATOM 354 N SER A 25 9.351 -12.655 -11.380 1.00 0.00 N ATOM 355 CA SER A 25 9.839 -13.435 -12.511 1.00 0.00 C ATOM 356 C SER A 25 10.438 -14.757 -12.041 1.00 0.00 C ATOM 357 O SER A 25 11.183 -14.800 -11.061 1.00 0.00 O ATOM 358 CB SER A 25 10.884 -12.639 -13.294 1.00 0.00 C ATOM 359 OG SER A 25 10.881 -13.003 -14.664 1.00 0.00 O ATOM 0 H SER A 25 9.676 -11.688 -11.363 1.00 0.00 H new ATOM 0 HA SER A 25 8.993 -13.651 -13.164 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.681 -11.572 -13.197 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.873 -12.815 -12.870 1.00 0.00 H new ATOM 0 HG SER A 25 11.557 -12.479 -15.143 1.00 0.00 H new ATOM 365 N ARG A 26 10.108 -15.834 -12.746 1.00 0.00 N ATOM 366 CA ARG A 26 10.612 -17.158 -12.402 1.00 0.00 C ATOM 367 C ARG A 26 12.056 -17.327 -12.864 1.00 0.00 C ATOM 368 O ARG A 26 12.859 -17.983 -12.200 1.00 0.00 O ATOM 369 CB ARG A 26 9.733 -18.241 -13.030 1.00 0.00 C ATOM 370 CG ARG A 26 9.595 -18.114 -14.539 1.00 0.00 C ATOM 371 CD ARG A 26 8.810 -19.276 -15.126 1.00 0.00 C ATOM 372 NE ARG A 26 7.579 -19.536 -14.384 1.00 0.00 N ATOM 373 CZ ARG A 26 6.462 -18.837 -14.546 1.00 0.00 C ATOM 374 NH1 ARG A 26 6.419 -17.841 -15.420 1.00 0.00 N ATOM 375 NH2 ARG A 26 5.382 -19.134 -13.833 1.00 0.00 N ATOM 0 H ARG A 26 9.493 -15.816 -13.560 1.00 0.00 H new ATOM 0 HA ARG A 26 10.582 -17.260 -11.317 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.151 -19.219 -12.793 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.742 -18.200 -12.578 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.095 -17.176 -14.782 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.585 -18.075 -14.994 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.567 -19.060 -16.167 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.431 -20.172 -15.123 1.00 0.00 H new ATOM 0 HE ARG A 26 7.577 -20.296 -13.704 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.246 -17.610 -15.971 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.559 -17.306 -15.542 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.410 -19.900 -13.160 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.524 -18.596 -13.958 1.00 0.00 H new ATOM 389 N LYS A 27 12.379 -16.733 -14.008 1.00 0.00 N ATOM 390 CA LYS A 27 13.726 -16.816 -14.560 1.00 0.00 C ATOM 391 C LYS A 27 14.674 -15.872 -13.828 1.00 0.00 C ATOM 392 O LYS A 27 15.705 -16.294 -13.303 1.00 0.00 O ATOM 393 CB LYS A 27 13.708 -16.482 -16.054 1.00 0.00 C ATOM 394 CG LYS A 27 14.800 -17.180 -16.846 1.00 0.00 C ATOM 395 CD LYS A 27 14.300 -18.478 -17.460 1.00 0.00 C ATOM 396 CE LYS A 27 14.099 -19.553 -16.403 1.00 0.00 C ATOM 397 NZ LYS A 27 15.358 -19.848 -15.666 1.00 0.00 N ATOM 0 H LYS A 27 11.726 -16.189 -14.571 1.00 0.00 H new ATOM 0 HA LYS A 27 14.084 -17.837 -14.426 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.738 -16.758 -16.468 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.813 -15.404 -16.178 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.159 -16.518 -17.634 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.648 -17.388 -16.193 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.359 -18.297 -17.980 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.014 -18.828 -18.205 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.333 -19.230 -15.698 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.733 -20.464 -16.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.529 -20.874 -15.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.153 -19.364 -16.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.273 -19.512 -14.685 1.00 0.00 H new ATOM 411 N THR A 28 14.318 -14.591 -13.796 1.00 0.00 N ATOM 412 CA THR A 28 15.136 -13.587 -13.128 1.00 0.00 C ATOM 413 C THR A 28 14.744 -13.445 -11.662 1.00 0.00 C ATOM 414 O THR A 28 13.732 -13.992 -11.224 1.00 0.00 O ATOM 415 CB THR A 28 15.014 -12.215 -13.816 1.00 0.00 C ATOM 416 OG1 THR A 28 13.689 -11.700 -13.650 1.00 0.00 O ATOM 417 CG2 THR A 28 15.341 -12.321 -15.298 1.00 0.00 C ATOM 0 H THR A 28 13.468 -14.225 -14.225 1.00 0.00 H new ATOM 0 HA THR A 28 16.170 -13.927 -13.193 1.00 0.00 H new ATOM 0 HB THR A 28 15.728 -11.535 -13.351 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.621 -10.826 -14.088 1.00 0.00 H new ATOM 0 HG21 THR A 28 15.248 -11.339 -15.762 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.361 -12.685 -15.420 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.649 -13.015 -15.775 1.00 0.00 H new ATOM 425 N ARG A 29 15.552 -12.707 -10.907 1.00 0.00 N ATOM 426 CA ARG A 29 15.289 -12.494 -9.489 1.00 0.00 C ATOM 427 C ARG A 29 14.504 -11.204 -9.270 1.00 0.00 C ATOM 428 O ARG A 29 14.087 -10.902 -8.152 1.00 0.00 O ATOM 429 CB ARG A 29 16.603 -12.443 -8.707 1.00 0.00 C ATOM 430 CG ARG A 29 17.403 -13.733 -8.776 1.00 0.00 C ATOM 431 CD ARG A 29 16.877 -14.768 -7.793 1.00 0.00 C ATOM 432 NE ARG A 29 17.362 -14.530 -6.436 1.00 0.00 N ATOM 433 CZ ARG A 29 16.856 -15.122 -5.361 1.00 0.00 C ATOM 434 NH1 ARG A 29 15.855 -15.983 -5.483 1.00 0.00 N ATOM 435 NH2 ARG A 29 17.351 -14.854 -4.159 1.00 0.00 N ATOM 0 H ARG A 29 16.394 -12.247 -11.254 1.00 0.00 H new ATOM 0 HA ARG A 29 14.690 -13.330 -9.126 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.213 -11.626 -9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 29 16.386 -12.215 -7.663 1.00 0.00 H new ATOM 0 HG2 ARG A 29 17.360 -14.136 -9.788 1.00 0.00 H new ATOM 0 HG3 ARG A 29 18.451 -13.525 -8.561 1.00 0.00 H new ATOM 0 HD2 ARG A 29 15.787 -14.750 -7.797 1.00 0.00 H new ATOM 0 HD3 ARG A 29 17.181 -15.763 -8.117 1.00 0.00 H new ATOM 0 HE ARG A 29 18.132 -13.873 -6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.472 -16.192 -6.405 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.468 -16.436 -4.655 1.00 0.00 H new ATOM 0 HH21 ARG A 29 18.121 -14.192 -4.060 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.961 -15.310 -3.334 1.00 0.00 H new ATOM 449 N TRP A 30 14.307 -10.448 -10.344 1.00 0.00 N ATOM 450 CA TRP A 30 13.573 -9.190 -10.269 1.00 0.00 C ATOM 451 C TRP A 30 12.141 -9.365 -10.763 1.00 0.00 C ATOM 452 O TRP A 30 11.882 -10.144 -11.681 1.00 0.00 O ATOM 453 CB TRP A 30 14.281 -8.112 -11.091 1.00 0.00 C ATOM 454 CG TRP A 30 14.588 -8.541 -12.494 1.00 0.00 C ATOM 455 CD1 TRP A 30 13.687 -8.807 -13.485 1.00 0.00 C ATOM 456 CD2 TRP A 30 15.886 -8.755 -13.060 1.00 0.00 C ATOM 457 NE1 TRP A 30 14.346 -9.173 -14.633 1.00 0.00 N ATOM 458 CE2 TRP A 30 15.696 -9.148 -14.399 1.00 0.00 C ATOM 459 CE3 TRP A 30 17.189 -8.650 -12.567 1.00 0.00 C ATOM 460 CZ2 TRP A 30 16.761 -9.438 -15.248 1.00 0.00 C ATOM 461 CZ3 TRP A 30 18.245 -8.938 -13.410 1.00 0.00 C ATOM 462 CH2 TRP A 30 18.026 -9.327 -14.739 1.00 0.00 C ATOM 0 H TRP A 30 14.645 -10.684 -11.277 1.00 0.00 H new ATOM 0 HA TRP A 30 13.542 -8.878 -9.225 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.657 -7.219 -11.120 1.00 0.00 H new ATOM 0 HB3 TRP A 30 15.210 -7.836 -10.592 1.00 0.00 H new ATOM 0 HD1 TRP A 30 12.614 -8.740 -13.381 1.00 0.00 H new ATOM 0 HE1 TRP A 30 13.902 -9.423 -15.517 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.368 -8.349 -11.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.594 -9.740 -16.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.256 -8.862 -13.039 1.00 0.00 H new ATOM 0 HH2 TRP A 30 18.873 -9.543 -15.374 1.00 0.00 H new ATOM 473 N CYS A 31 11.215 -8.636 -10.151 1.00 0.00 N ATOM 474 CA CYS A 31 9.808 -8.711 -10.528 1.00 0.00 C ATOM 475 C CYS A 31 9.605 -8.238 -11.965 1.00 0.00 C ATOM 476 O CYS A 31 10.253 -7.293 -12.416 1.00 0.00 O ATOM 477 CB CYS A 31 8.958 -7.867 -9.577 1.00 0.00 C ATOM 478 SG CYS A 31 7.964 -8.844 -8.404 1.00 0.00 S ATOM 0 H CYS A 31 11.413 -7.986 -9.391 1.00 0.00 H new ATOM 0 HA CYS A 31 9.493 -9.752 -10.458 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.613 -7.201 -9.015 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.291 -7.237 -10.165 1.00 0.00 H new ATOM 483 N ALA A 32 8.702 -8.902 -12.678 1.00 0.00 N ATOM 484 CA ALA A 32 8.411 -8.548 -14.062 1.00 0.00 C ATOM 485 C ALA A 32 6.908 -8.460 -14.303 1.00 0.00 C ATOM 486 O ALA A 32 6.112 -8.608 -13.375 1.00 0.00 O ATOM 487 CB ALA A 32 9.041 -9.560 -15.009 1.00 0.00 C ATOM 0 H ALA A 32 8.159 -9.688 -12.320 1.00 0.00 H new ATOM 0 HA ALA A 32 8.841 -7.566 -14.258 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.816 -9.284 -16.039 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.121 -9.571 -14.864 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.638 -10.551 -14.803 1.00 0.00 H new ATOM 493 N TYR A 33 6.527 -8.217 -15.552 1.00 0.00 N ATOM 494 CA TYR A 33 5.119 -8.106 -15.913 1.00 0.00 C ATOM 495 C TYR A 33 4.727 -9.185 -16.917 1.00 0.00 C ATOM 496 O TYR A 33 5.419 -9.404 -17.911 1.00 0.00 O ATOM 497 CB TYR A 33 4.828 -6.722 -16.495 1.00 0.00 C ATOM 498 CG TYR A 33 5.779 -6.318 -17.599 1.00 0.00 C ATOM 499 CD1 TYR A 33 5.510 -6.634 -18.925 1.00 0.00 C ATOM 500 CD2 TYR A 33 6.945 -5.618 -17.316 1.00 0.00 C ATOM 501 CE1 TYR A 33 6.377 -6.267 -19.937 1.00 0.00 C ATOM 502 CE2 TYR A 33 7.817 -5.246 -18.321 1.00 0.00 C ATOM 503 CZ TYR A 33 7.528 -5.573 -19.630 1.00 0.00 C ATOM 504 OH TYR A 33 8.393 -5.205 -20.635 1.00 0.00 O ATOM 0 H TYR A 33 7.173 -8.093 -16.331 1.00 0.00 H new ATOM 0 HA TYR A 33 4.526 -8.245 -15.009 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.809 -6.706 -16.881 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.878 -5.983 -15.695 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.608 -7.176 -19.169 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.174 -5.360 -16.293 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.154 -6.522 -20.962 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.720 -4.702 -18.083 1.00 0.00 H new ATOM 0 HH TYR A 33 9.154 -4.722 -20.251 1.00 0.00 H new ATOM 514 N GLN A 34 3.611 -9.857 -16.650 1.00 0.00 N ATOM 515 CA GLN A 34 3.126 -10.913 -17.529 1.00 0.00 C ATOM 516 C GLN A 34 2.179 -10.352 -18.584 1.00 0.00 C ATOM 517 O GLN A 34 1.937 -10.982 -19.614 1.00 0.00 O ATOM 518 CB GLN A 34 2.418 -11.998 -16.716 1.00 0.00 C ATOM 519 CG GLN A 34 3.371 -12.958 -16.022 1.00 0.00 C ATOM 520 CD GLN A 34 2.725 -14.292 -15.702 1.00 0.00 C ATOM 521 OE1 GLN A 34 1.826 -14.375 -14.865 1.00 0.00 O ATOM 522 NE2 GLN A 34 3.181 -15.346 -16.370 1.00 0.00 N ATOM 0 H GLN A 34 3.026 -9.688 -15.831 1.00 0.00 H new ATOM 0 HA GLN A 34 3.986 -11.352 -18.036 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.784 -11.523 -15.967 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.762 -12.565 -17.376 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.241 -13.123 -16.657 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.732 -12.503 -15.100 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.928 -15.231 -17.055 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.784 -16.270 -16.198 1.00 0.00 H new ATOM 531 N ILE A 35 1.645 -9.164 -18.320 1.00 0.00 N ATOM 532 CA ILE A 35 0.725 -8.518 -19.248 1.00 0.00 C ATOM 533 C ILE A 35 1.479 -7.811 -20.368 1.00 0.00 C ATOM 534 O ILE A 35 2.442 -7.085 -20.121 1.00 0.00 O ATOM 535 CB ILE A 35 -0.176 -7.497 -18.527 1.00 0.00 C ATOM 536 CG1 ILE A 35 -0.871 -8.152 -17.332 1.00 0.00 C ATOM 537 CG2 ILE A 35 -1.201 -6.921 -19.493 1.00 0.00 C ATOM 538 CD1 ILE A 35 -1.712 -9.353 -17.705 1.00 0.00 C ATOM 0 H ILE A 35 1.834 -8.630 -17.472 1.00 0.00 H new ATOM 0 HA ILE A 35 0.102 -9.305 -19.674 1.00 0.00 H new ATOM 0 HB ILE A 35 0.446 -6.681 -18.159 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.117 -8.458 -16.607 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.505 -7.413 -16.841 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.830 -6.201 -18.969 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.687 -6.423 -20.315 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.821 -7.726 -19.888 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.174 -9.766 -16.808 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.489 -9.049 -18.407 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.080 -10.110 -18.169 1.00 0.00 H new TER 550 ILE A 35