USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=11 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 168:sc= 1.1 USER MOD Single : A 1 GLU N :NH3+ 167:sc= -0.113 (180deg=-0.27) USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0246) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.0858 F(o=-0.97,f=-0.086) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 15 GLN : amide:sc= -0.0187 X(o=-0.019,f=-0.019) USER MOD Single : A 18 LYS NZ :NH3+ -142:sc= -0.418 (180deg=-1.72!) 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+ 139:sc= -0.259 (180deg=-1.73!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0158 K(o=-0.016,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.582 0.211 -1.411 1.00 0.00 N ATOM 2 CA GLU A 1 2.986 0.337 -1.038 1.00 0.00 C ATOM 3 C GLU A 1 3.775 -0.899 -1.461 1.00 0.00 C ATOM 4 O GLU A 1 4.854 -1.171 -0.934 1.00 0.00 O ATOM 5 CB GLU A 1 3.119 0.549 0.471 1.00 0.00 C ATOM 6 CG GLU A 1 4.438 1.180 0.883 1.00 0.00 C ATOM 7 CD GLU A 1 4.468 2.677 0.644 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.596 3.384 1.191 1.00 0.00 O ATOM 9 OE2 GLU A 1 5.365 3.142 -0.090 1.00 0.00 O ATOM 0 H1 GLU A 1 1.027 0.946 -0.928 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.485 0.324 -2.440 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.231 -0.727 -1.131 1.00 0.00 H new ATOM 0 HA GLU A 1 3.396 1.203 -1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.300 1.182 0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.012 -0.412 0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.617 0.981 1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 1 5.250 0.711 0.328 1.00 0.00 H new ATOM 16 N CYS A 2 3.227 -1.645 -2.414 1.00 0.00 N ATOM 17 CA CYS A 2 3.877 -2.854 -2.908 1.00 0.00 C ATOM 18 C CYS A 2 5.194 -2.518 -3.601 1.00 0.00 C ATOM 19 O CYS A 2 5.610 -1.360 -3.642 1.00 0.00 O ATOM 20 CB CYS A 2 2.953 -3.595 -3.876 1.00 0.00 C ATOM 21 SG CYS A 2 2.318 -2.563 -5.236 1.00 0.00 S ATOM 0 H CYS A 2 2.334 -1.434 -2.860 1.00 0.00 H new ATOM 0 HA CYS A 2 4.090 -3.498 -2.055 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.492 -4.443 -4.299 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.109 -4.000 -3.317 1.00 0.00 H new ATOM 26 N LEU A 3 5.847 -3.540 -4.145 1.00 0.00 N ATOM 27 CA LEU A 3 7.117 -3.355 -4.837 1.00 0.00 C ATOM 28 C LEU A 3 6.897 -2.804 -6.242 1.00 0.00 C ATOM 29 O LEU A 3 5.760 -2.611 -6.672 1.00 0.00 O ATOM 30 CB LEU A 3 7.879 -4.679 -4.909 1.00 0.00 C ATOM 31 CG LEU A 3 8.773 -5.006 -3.712 1.00 0.00 C ATOM 32 CD1 LEU A 3 8.172 -4.451 -2.430 1.00 0.00 C ATOM 33 CD2 LEU A 3 8.984 -6.509 -3.598 1.00 0.00 C ATOM 0 H LEU A 3 5.517 -4.505 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 3 7.708 -2.633 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.155 -5.485 -5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.497 -4.671 -5.807 1.00 0.00 H new ATOM 0 HG LEU A 3 9.743 -4.534 -3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.822 -4.693 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.074 -3.369 -2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.189 -4.893 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.622 -6.723 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.021 -7.003 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.460 -6.880 -4.506 1.00 0.00 H new ATOM 45 N GLU A 4 7.992 -2.556 -6.954 1.00 0.00 N ATOM 46 CA GLU A 4 7.917 -2.030 -8.312 1.00 0.00 C ATOM 47 C GLU A 4 8.594 -2.975 -9.300 1.00 0.00 C ATOM 48 O GLU A 4 9.197 -3.974 -8.906 1.00 0.00 O ATOM 49 CB GLU A 4 8.568 -0.647 -8.383 1.00 0.00 C ATOM 50 CG GLU A 4 7.792 0.349 -9.228 1.00 0.00 C ATOM 51 CD GLU A 4 6.352 0.499 -8.777 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.107 0.459 -7.553 1.00 0.00 O ATOM 53 OE2 GLU A 4 5.471 0.657 -9.647 1.00 0.00 O ATOM 0 H GLU A 4 8.941 -2.711 -6.613 1.00 0.00 H new ATOM 0 HA GLU A 4 6.865 -1.943 -8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.671 -0.251 -7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.574 -0.749 -8.789 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.286 1.320 -9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.811 0.029 -10.270 1.00 0.00 H new ATOM 60 N ILE A 5 8.490 -2.652 -10.585 1.00 0.00 N ATOM 61 CA ILE A 5 9.093 -3.471 -11.629 1.00 0.00 C ATOM 62 C ILE A 5 10.614 -3.454 -11.532 1.00 0.00 C ATOM 63 O ILE A 5 11.213 -2.443 -11.165 1.00 0.00 O ATOM 64 CB ILE A 5 8.674 -2.992 -13.032 1.00 0.00 C ATOM 65 CG1 ILE A 5 7.260 -3.477 -13.359 1.00 0.00 C ATOM 66 CG2 ILE A 5 9.664 -3.485 -14.077 1.00 0.00 C ATOM 67 CD1 ILE A 5 7.156 -4.978 -13.515 1.00 0.00 C ATOM 0 H ILE A 5 7.994 -1.829 -10.928 1.00 0.00 H new ATOM 0 HA ILE A 5 8.733 -4.489 -11.478 1.00 0.00 H new ATOM 0 HB ILE A 5 8.676 -1.902 -13.044 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.582 -3.154 -12.569 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.925 -3.000 -14.280 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.355 -3.139 -15.063 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.656 -3.095 -13.850 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.691 -4.575 -14.067 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.126 -5.249 -13.746 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.808 -5.306 -14.325 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.459 -5.462 -12.587 1.00 0.00 H new ATOM 79 N PHE A 6 11.236 -4.581 -11.864 1.00 0.00 N ATOM 80 CA PHE A 6 12.688 -4.696 -11.815 1.00 0.00 C ATOM 81 C PHE A 6 13.193 -4.609 -10.378 1.00 0.00 C ATOM 82 O PHE A 6 14.356 -4.288 -10.134 1.00 0.00 O ATOM 83 CB PHE A 6 13.337 -3.600 -12.663 1.00 0.00 C ATOM 84 CG PHE A 6 13.920 -4.105 -13.952 1.00 0.00 C ATOM 85 CD1 PHE A 6 14.829 -5.151 -13.953 1.00 0.00 C ATOM 86 CD2 PHE A 6 13.560 -3.533 -15.161 1.00 0.00 C ATOM 87 CE1 PHE A 6 15.367 -5.618 -15.138 1.00 0.00 C ATOM 88 CE2 PHE A 6 14.095 -3.996 -16.348 1.00 0.00 C ATOM 89 CZ PHE A 6 15.000 -5.039 -16.337 1.00 0.00 C ATOM 0 H PHE A 6 10.756 -5.428 -12.170 1.00 0.00 H new ATOM 0 HA PHE A 6 12.964 -5.670 -12.220 1.00 0.00 H new ATOM 0 HB2 PHE A 6 12.593 -2.835 -12.885 1.00 0.00 H new ATOM 0 HB3 PHE A 6 14.124 -3.120 -12.081 1.00 0.00 H new ATOM 0 HD1 PHE A 6 15.120 -5.606 -13.018 1.00 0.00 H new ATOM 0 HD2 PHE A 6 12.854 -2.716 -15.176 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.074 -6.435 -15.126 1.00 0.00 H new ATOM 0 HE2 PHE A 6 13.805 -3.542 -17.284 1.00 0.00 H new ATOM 0 HZ PHE A 6 15.420 -5.401 -17.264 1.00 0.00 H new ATOM 99 N LYS A 7 12.309 -4.896 -9.428 1.00 0.00 N ATOM 100 CA LYS A 7 12.662 -4.851 -8.014 1.00 0.00 C ATOM 101 C LYS A 7 12.937 -6.252 -7.478 1.00 0.00 C ATOM 102 O LYS A 7 12.235 -7.205 -7.815 1.00 0.00 O ATOM 103 CB LYS A 7 11.538 -4.196 -7.207 1.00 0.00 C ATOM 104 CG LYS A 7 11.909 -3.921 -5.760 1.00 0.00 C ATOM 105 CD LYS A 7 13.109 -2.995 -5.659 1.00 0.00 C ATOM 106 CE LYS A 7 13.236 -2.397 -4.266 1.00 0.00 C ATOM 107 NZ LYS A 7 13.438 -3.446 -3.228 1.00 0.00 N ATOM 0 H LYS A 7 11.342 -5.163 -9.612 1.00 0.00 H new ATOM 0 HA LYS A 7 13.569 -4.256 -7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.257 -3.258 -7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.660 -4.842 -7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.059 -3.474 -5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.130 -4.861 -5.255 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.017 -3.546 -5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.015 -2.194 -6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.073 -1.700 -4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.338 -1.824 -4.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.571 -2.995 -2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.604 -4.067 -3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.280 -4.009 -3.463 1.00 0.00 H new ATOM 121 N ALA A 8 13.962 -6.368 -6.640 1.00 0.00 N ATOM 122 CA ALA A 8 14.327 -7.652 -6.054 1.00 0.00 C ATOM 123 C ALA A 8 13.120 -8.325 -5.409 1.00 0.00 C ATOM 124 O ALA A 8 12.580 -7.835 -4.417 1.00 0.00 O ATOM 125 CB ALA A 8 15.440 -7.469 -5.032 1.00 0.00 C ATOM 0 H ALA A 8 14.554 -5.589 -6.352 1.00 0.00 H new ATOM 0 HA ALA A 8 14.686 -8.299 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.702 -8.436 -4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.315 -7.039 -5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.101 -6.801 -4.241 1.00 0.00 H new ATOM 131 N CYS A 9 12.701 -9.450 -5.979 1.00 0.00 N ATOM 132 CA CYS A 9 11.557 -10.189 -5.461 1.00 0.00 C ATOM 133 C CYS A 9 11.992 -11.537 -4.892 1.00 0.00 C ATOM 134 O CYS A 9 12.925 -12.162 -5.395 1.00 0.00 O ATOM 135 CB CYS A 9 10.518 -10.401 -6.564 1.00 0.00 C ATOM 136 SG CYS A 9 11.006 -11.627 -7.820 1.00 0.00 S ATOM 0 H CYS A 9 13.137 -9.869 -6.800 1.00 0.00 H new ATOM 0 HA CYS A 9 11.111 -9.602 -4.658 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.580 -10.717 -6.108 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.328 -9.448 -7.057 1.00 0.00 H new ATOM 141 N ASN A 10 11.310 -11.977 -3.840 1.00 0.00 N ATOM 142 CA ASN A 10 11.626 -13.250 -3.202 1.00 0.00 C ATOM 143 C ASN A 10 10.367 -13.908 -2.646 1.00 0.00 C ATOM 144 O ASN A 10 9.342 -13.260 -2.429 1.00 0.00 O ATOM 145 CB ASN A 10 12.645 -13.043 -2.080 1.00 0.00 C ATOM 146 CG ASN A 10 14.075 -13.096 -2.581 1.00 0.00 C ATOM 147 OD1 ASN A 10 14.405 -14.151 -3.317 1.00 0.00 O flip ATOM 148 ND2 ASN A 10 14.874 -12.200 -2.308 1.00 0.00 N flip ATOM 0 H ASN A 10 10.535 -11.471 -3.411 1.00 0.00 H new ATOM 0 HA ASN A 10 12.055 -13.909 -3.957 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.465 -12.079 -1.603 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.502 -13.808 -1.317 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.577 -11.407 -1.739 1.00 0.00 H new ATOM 0 HD22 ASN A 10 15.833 -12.250 -2.651 1.00 0.00 H new ATOM 155 N PRO A 11 10.443 -15.225 -2.408 1.00 0.00 N ATOM 156 CA PRO A 11 9.319 -15.999 -1.873 1.00 0.00 C ATOM 157 C PRO A 11 9.019 -15.655 -0.418 1.00 0.00 C ATOM 158 O PRO A 11 7.980 -16.039 0.119 1.00 0.00 O ATOM 159 CB PRO A 11 9.798 -17.448 -1.991 1.00 0.00 C ATOM 160 CG PRO A 11 11.285 -17.359 -1.967 1.00 0.00 C ATOM 161 CD PRO A 11 11.632 -16.061 -2.643 1.00 0.00 C ATOM 0 HA PRO A 11 8.393 -15.796 -2.410 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.425 -18.057 -1.167 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.444 -17.908 -2.913 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.661 -17.379 -0.944 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.735 -18.204 -2.489 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.529 -15.613 -2.216 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.821 -16.200 -3.707 1.00 0.00 H new ATOM 169 N SER A 12 9.934 -14.928 0.215 1.00 0.00 N ATOM 170 CA SER A 12 9.768 -14.534 1.609 1.00 0.00 C ATOM 171 C SER A 12 9.214 -13.116 1.711 1.00 0.00 C ATOM 172 O SER A 12 8.600 -12.748 2.711 1.00 0.00 O ATOM 173 CB SER A 12 11.103 -14.627 2.349 1.00 0.00 C ATOM 174 OG SER A 12 10.960 -14.252 3.708 1.00 0.00 O ATOM 0 H SER A 12 10.798 -14.600 -0.216 1.00 0.00 H new ATOM 0 HA SER A 12 9.056 -15.217 2.072 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.486 -15.646 2.288 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.836 -13.981 1.866 1.00 0.00 H new ATOM 0 HG SER A 12 11.827 -14.321 4.159 1.00 0.00 H new ATOM 180 N ASN A 13 9.437 -12.324 0.667 1.00 0.00 N ATOM 181 CA ASN A 13 8.962 -10.945 0.638 1.00 0.00 C ATOM 182 C ASN A 13 8.005 -10.724 -0.530 1.00 0.00 C ATOM 183 O ASN A 13 8.299 -9.961 -1.450 1.00 0.00 O ATOM 184 CB ASN A 13 10.143 -9.979 0.534 1.00 0.00 C ATOM 185 CG ASN A 13 9.840 -8.627 1.153 1.00 0.00 C ATOM 186 OD1 ASN A 13 9.106 -7.821 0.581 1.00 0.00 O ATOM 187 ND2 ASN A 13 10.406 -8.374 2.327 1.00 0.00 N ATOM 0 H ASN A 13 9.943 -12.613 -0.170 1.00 0.00 H new ATOM 0 HA ASN A 13 8.425 -10.752 1.567 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.011 -10.416 1.028 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.408 -9.844 -0.515 1.00 0.00 H new ATOM 0 HD21 ASN A 13 10.239 -7.481 2.792 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.007 -9.072 2.764 1.00 0.00 H new ATOM 194 N ASP A 14 6.861 -11.397 -0.485 1.00 0.00 N ATOM 195 CA ASP A 14 5.860 -11.273 -1.538 1.00 0.00 C ATOM 196 C ASP A 14 5.088 -9.965 -1.403 1.00 0.00 C ATOM 197 O ASP A 14 3.878 -9.968 -1.175 1.00 0.00 O ATOM 198 CB ASP A 14 4.892 -12.457 -1.494 1.00 0.00 C ATOM 199 CG ASP A 14 4.165 -12.561 -0.168 1.00 0.00 C ATOM 200 OD1 ASP A 14 4.829 -12.831 0.854 1.00 0.00 O ATOM 201 OD2 ASP A 14 2.930 -12.372 -0.152 1.00 0.00 O ATOM 0 H ASP A 14 6.604 -12.034 0.269 1.00 0.00 H new ATOM 0 HA ASP A 14 6.377 -11.272 -2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 14 4.163 -12.357 -2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.443 -13.380 -1.677 1.00 0.00 H new ATOM 206 N GLN A 15 5.795 -8.849 -1.545 1.00 0.00 N ATOM 207 CA GLN A 15 5.176 -7.533 -1.437 1.00 0.00 C ATOM 208 C GLN A 15 4.720 -7.032 -2.803 1.00 0.00 C ATOM 209 O GLN A 15 3.833 -6.183 -2.901 1.00 0.00 O ATOM 210 CB GLN A 15 6.155 -6.535 -0.815 1.00 0.00 C ATOM 211 CG GLN A 15 6.217 -6.608 0.702 1.00 0.00 C ATOM 212 CD GLN A 15 5.013 -5.971 1.367 1.00 0.00 C ATOM 213 OE1 GLN A 15 4.092 -6.662 1.804 1.00 0.00 O ATOM 214 NE2 GLN A 15 5.014 -4.645 1.447 1.00 0.00 N ATOM 0 H GLN A 15 6.797 -8.829 -1.735 1.00 0.00 H new ATOM 0 HA GLN A 15 4.301 -7.623 -0.793 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.151 -6.715 -1.220 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.869 -5.526 -1.110 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.287 -7.652 1.009 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.124 -6.112 1.049 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.798 -4.112 1.071 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.230 -4.160 1.884 1.00 0.00 H new ATOM 223 N CYS A 16 5.331 -7.563 -3.857 1.00 0.00 N ATOM 224 CA CYS A 16 4.989 -7.170 -5.219 1.00 0.00 C ATOM 225 C CYS A 16 3.480 -7.224 -5.438 1.00 0.00 C ATOM 226 O CYS A 16 2.810 -8.157 -4.993 1.00 0.00 O ATOM 227 CB CYS A 16 5.695 -8.079 -6.227 1.00 0.00 C ATOM 228 SG CYS A 16 7.027 -7.259 -7.161 1.00 0.00 S ATOM 0 H CYS A 16 6.066 -8.267 -3.794 1.00 0.00 H new ATOM 0 HA CYS A 16 5.324 -6.144 -5.369 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.111 -8.936 -5.698 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.957 -8.466 -6.930 1.00 0.00 H new ATOM 233 N CYS A 17 2.951 -6.218 -6.126 1.00 0.00 N ATOM 234 CA CYS A 17 1.521 -6.150 -6.405 1.00 0.00 C ATOM 235 C CYS A 17 1.111 -7.224 -7.408 1.00 0.00 C ATOM 236 O CYS A 17 1.017 -6.966 -8.608 1.00 0.00 O ATOM 237 CB CYS A 17 1.151 -4.767 -6.942 1.00 0.00 C ATOM 238 SG CYS A 17 0.550 -3.611 -5.669 1.00 0.00 S ATOM 0 H CYS A 17 3.491 -5.438 -6.501 1.00 0.00 H new ATOM 0 HA CYS A 17 0.985 -6.326 -5.472 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.024 -4.333 -7.429 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.383 -4.880 -7.707 1.00 0.00 H new ATOM 243 N LYS A 18 0.867 -8.431 -6.907 1.00 0.00 N ATOM 244 CA LYS A 18 0.464 -9.545 -7.757 1.00 0.00 C ATOM 245 C LYS A 18 -0.993 -9.404 -8.186 1.00 0.00 C ATOM 246 O LYS A 18 -1.491 -10.191 -8.990 1.00 0.00 O ATOM 247 CB LYS A 18 0.665 -10.872 -7.022 1.00 0.00 C ATOM 248 CG LYS A 18 1.167 -11.993 -7.916 1.00 0.00 C ATOM 249 CD LYS A 18 0.662 -13.348 -7.449 1.00 0.00 C ATOM 250 CE LYS A 18 -0.796 -13.559 -7.828 1.00 0.00 C ATOM 251 NZ LYS A 18 -1.715 -13.224 -6.705 1.00 0.00 N ATOM 0 H LYS A 18 0.941 -8.662 -5.916 1.00 0.00 H new ATOM 0 HA LYS A 18 1.089 -9.533 -8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.374 -10.723 -6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.280 -11.174 -6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.841 -11.816 -8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.257 -11.993 -7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.272 -14.137 -7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.773 -13.426 -6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.039 -12.942 -8.693 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.948 -14.597 -8.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.504 -13.901 -6.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.196 -13.275 -5.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.087 -12.262 -6.836 1.00 0.00 H new ATOM 265 N SER A 19 -1.669 -8.397 -7.645 1.00 0.00 N ATOM 266 CA SER A 19 -3.070 -8.154 -7.970 1.00 0.00 C ATOM 267 C SER A 19 -3.195 -7.225 -9.173 1.00 0.00 C ATOM 268 O SER A 19 -4.269 -7.094 -9.761 1.00 0.00 O ATOM 269 CB SER A 19 -3.798 -7.551 -6.767 1.00 0.00 C ATOM 270 OG SER A 19 -4.981 -8.274 -6.472 1.00 0.00 O ATOM 0 H SER A 19 -1.270 -7.735 -6.979 1.00 0.00 H new ATOM 0 HA SER A 19 -3.530 -9.110 -8.222 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.139 -7.556 -5.899 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.046 -6.510 -6.973 1.00 0.00 H new ATOM 0 HG SER A 19 -5.427 -7.870 -5.698 1.00 0.00 H new ATOM 276 N SER A 20 -2.090 -6.580 -9.533 1.00 0.00 N ATOM 277 CA SER A 20 -2.076 -5.659 -10.663 1.00 0.00 C ATOM 278 C SER A 20 -1.350 -6.274 -11.856 1.00 0.00 C ATOM 279 O SER A 20 -1.974 -6.842 -12.752 1.00 0.00 O ATOM 280 CB SER A 20 -1.405 -4.343 -10.267 1.00 0.00 C ATOM 281 OG SER A 20 -2.369 -3.344 -9.982 1.00 0.00 O ATOM 0 H SER A 20 -1.193 -6.678 -9.058 1.00 0.00 H new ATOM 0 HA SER A 20 -3.108 -5.460 -10.951 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.773 -4.502 -9.394 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.755 -4.006 -11.074 1.00 0.00 H new ATOM 0 HG SER A 20 -1.914 -2.513 -9.730 1.00 0.00 H new ATOM 287 N LYS A 21 -0.027 -6.156 -11.860 1.00 0.00 N ATOM 288 CA LYS A 21 0.787 -6.701 -12.941 1.00 0.00 C ATOM 289 C LYS A 21 2.219 -6.944 -12.474 1.00 0.00 C ATOM 290 O LYS A 21 3.120 -7.155 -13.287 1.00 0.00 O ATOM 291 CB LYS A 21 0.785 -5.748 -14.138 1.00 0.00 C ATOM 292 CG LYS A 21 0.858 -4.282 -13.749 1.00 0.00 C ATOM 293 CD LYS A 21 -0.505 -3.615 -13.830 1.00 0.00 C ATOM 294 CE LYS A 21 -0.891 -3.308 -15.269 1.00 0.00 C ATOM 295 NZ LYS A 21 -2.155 -2.525 -15.350 1.00 0.00 N ATOM 0 H LYS A 21 0.505 -5.688 -11.127 1.00 0.00 H new ATOM 0 HA LYS A 21 0.355 -7.655 -13.243 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.631 -5.987 -14.783 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.119 -5.915 -14.723 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.248 -4.193 -12.735 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.557 -3.765 -14.406 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.256 -4.265 -13.381 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.495 -2.692 -13.250 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.087 -2.750 -15.749 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.006 -4.241 -15.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.383 -2.336 -16.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.928 -3.068 -14.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.038 -1.623 -14.845 1.00 0.00 H new ATOM 309 N LEU A 22 2.421 -6.915 -11.162 1.00 0.00 N ATOM 310 CA LEU A 22 3.744 -7.135 -10.587 1.00 0.00 C ATOM 311 C LEU A 22 3.861 -8.543 -10.011 1.00 0.00 C ATOM 312 O LEU A 22 3.410 -8.809 -8.897 1.00 0.00 O ATOM 313 CB LEU A 22 4.025 -6.100 -9.495 1.00 0.00 C ATOM 314 CG LEU A 22 3.505 -4.687 -9.759 1.00 0.00 C ATOM 315 CD1 LEU A 22 4.104 -3.703 -8.767 1.00 0.00 C ATOM 316 CD2 LEU A 22 3.815 -4.263 -11.188 1.00 0.00 C ATOM 0 H LEU A 22 1.686 -6.741 -10.476 1.00 0.00 H new ATOM 0 HA LEU A 22 4.481 -7.026 -11.382 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.588 -6.458 -8.563 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.103 -6.046 -9.342 1.00 0.00 H new ATOM 0 HG LEU A 22 2.423 -4.689 -9.628 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.722 -2.703 -8.971 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.831 -3.996 -7.753 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.190 -3.704 -8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.438 -3.255 -11.358 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.893 -4.278 -11.346 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.336 -4.952 -11.884 1.00 0.00 H new ATOM 328 N VAL A 23 4.471 -9.441 -10.778 1.00 0.00 N ATOM 329 CA VAL A 23 4.651 -10.821 -10.344 1.00 0.00 C ATOM 330 C VAL A 23 6.122 -11.220 -10.376 1.00 0.00 C ATOM 331 O VAL A 23 6.817 -10.993 -11.367 1.00 0.00 O ATOM 332 CB VAL A 23 3.847 -11.796 -11.224 1.00 0.00 C ATOM 333 CG1 VAL A 23 4.314 -11.721 -12.669 1.00 0.00 C ATOM 334 CG2 VAL A 23 3.963 -13.215 -10.690 1.00 0.00 C ATOM 0 H VAL A 23 4.849 -9.237 -11.703 1.00 0.00 H new ATOM 0 HA VAL A 23 4.283 -10.881 -9.320 1.00 0.00 H new ATOM 0 HB VAL A 23 2.797 -11.505 -11.192 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.734 -12.417 -13.275 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.173 -10.708 -13.045 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.370 -11.985 -12.724 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.389 -13.890 -11.324 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.010 -13.519 -10.690 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.574 -13.254 -9.673 1.00 0.00 H new ATOM 344 N CYS A 24 6.592 -11.817 -9.286 1.00 0.00 N ATOM 345 CA CYS A 24 7.981 -12.249 -9.188 1.00 0.00 C ATOM 346 C CYS A 24 8.352 -13.156 -10.357 1.00 0.00 C ATOM 347 O CYS A 24 7.961 -14.323 -10.399 1.00 0.00 O ATOM 348 CB CYS A 24 8.217 -12.980 -7.865 1.00 0.00 C ATOM 349 SG CYS A 24 9.971 -13.307 -7.499 1.00 0.00 S ATOM 0 H CYS A 24 6.031 -12.013 -8.457 1.00 0.00 H new ATOM 0 HA CYS A 24 8.615 -11.363 -9.224 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.792 -12.388 -7.054 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.678 -13.927 -7.884 1.00 0.00 H new ATOM 354 N SER A 25 9.109 -12.612 -11.304 1.00 0.00 N ATOM 355 CA SER A 25 9.530 -13.371 -12.476 1.00 0.00 C ATOM 356 C SER A 25 10.141 -14.708 -12.067 1.00 0.00 C ATOM 357 O SER A 25 10.804 -14.810 -11.034 1.00 0.00 O ATOM 358 CB SER A 25 10.541 -12.565 -13.295 1.00 0.00 C ATOM 359 OG SER A 25 10.466 -12.900 -14.670 1.00 0.00 O ATOM 0 H SER A 25 9.443 -11.649 -11.283 1.00 0.00 H new ATOM 0 HA SER A 25 8.649 -13.566 -13.088 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.351 -11.499 -13.166 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.548 -12.756 -12.925 1.00 0.00 H new ATOM 0 HG SER A 25 11.120 -12.371 -15.172 1.00 0.00 H new ATOM 365 N ARG A 26 9.912 -15.730 -12.884 1.00 0.00 N ATOM 366 CA ARG A 26 10.438 -17.062 -12.608 1.00 0.00 C ATOM 367 C ARG A 26 11.888 -17.180 -13.067 1.00 0.00 C ATOM 368 O ARG A 26 12.744 -17.679 -12.336 1.00 0.00 O ATOM 369 CB ARG A 26 9.584 -18.125 -13.301 1.00 0.00 C ATOM 370 CG ARG A 26 9.691 -19.502 -12.666 1.00 0.00 C ATOM 371 CD ARG A 26 10.839 -20.302 -13.262 1.00 0.00 C ATOM 372 NE ARG A 26 10.593 -20.657 -14.657 1.00 0.00 N ATOM 373 CZ ARG A 26 9.831 -21.679 -15.032 1.00 0.00 C ATOM 374 NH1 ARG A 26 9.245 -22.442 -14.120 1.00 0.00 N ATOM 375 NH2 ARG A 26 9.655 -21.939 -16.321 1.00 0.00 N ATOM 0 H ARG A 26 9.366 -15.662 -13.743 1.00 0.00 H new ATOM 0 HA ARG A 26 10.402 -17.223 -11.531 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.541 -17.808 -13.286 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.882 -18.193 -14.347 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.838 -19.398 -11.591 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.756 -20.044 -12.809 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.759 -19.722 -13.193 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.990 -21.210 -12.678 1.00 0.00 H new ATOM 0 HE ARG A 26 11.030 -20.089 -15.383 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.379 -22.245 -13.128 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.660 -23.226 -14.410 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.105 -21.354 -17.025 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.070 -22.724 -16.608 1.00 0.00 H new ATOM 389 N LYS A 27 12.157 -16.717 -14.283 1.00 0.00 N ATOM 390 CA LYS A 27 13.503 -16.770 -14.841 1.00 0.00 C ATOM 391 C LYS A 27 14.436 -15.815 -14.103 1.00 0.00 C ATOM 392 O LYS A 27 15.464 -16.227 -13.564 1.00 0.00 O ATOM 393 CB LYS A 27 13.474 -16.420 -16.331 1.00 0.00 C ATOM 394 CG LYS A 27 14.735 -16.823 -17.075 1.00 0.00 C ATOM 395 CD LYS A 27 14.632 -16.507 -18.558 1.00 0.00 C ATOM 396 CE LYS A 27 13.926 -17.619 -19.318 1.00 0.00 C ATOM 397 NZ LYS A 27 12.446 -17.459 -19.286 1.00 0.00 N ATOM 0 H LYS A 27 11.460 -16.301 -14.901 1.00 0.00 H new ATOM 0 HA LYS A 27 13.880 -17.786 -14.719 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.617 -16.909 -16.794 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.325 -15.346 -16.440 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.592 -16.301 -16.649 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.913 -17.890 -16.941 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.090 -15.571 -18.695 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.630 -16.361 -18.970 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.268 -17.626 -20.353 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.197 -18.583 -18.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.052 -17.685 -20.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.043 -18.102 -18.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.208 -16.477 -19.039 1.00 0.00 H new ATOM 411 N THR A 28 14.071 -14.537 -14.081 1.00 0.00 N ATOM 412 CA THR A 28 14.875 -13.524 -13.408 1.00 0.00 C ATOM 413 C THR A 28 14.526 -13.439 -11.927 1.00 0.00 C ATOM 414 O THR A 28 13.533 -14.015 -11.479 1.00 0.00 O ATOM 415 CB THR A 28 14.682 -12.137 -14.049 1.00 0.00 C ATOM 416 OG1 THR A 28 13.320 -11.719 -13.913 1.00 0.00 O ATOM 417 CG2 THR A 28 15.066 -12.163 -15.521 1.00 0.00 C ATOM 0 H THR A 28 13.224 -14.179 -14.522 1.00 0.00 H new ATOM 0 HA THR A 28 15.917 -13.825 -13.516 1.00 0.00 H new ATOM 0 HB THR A 28 15.331 -11.429 -13.533 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.245 -10.768 -14.139 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.921 -11.172 -15.952 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.112 -12.452 -15.619 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.440 -12.883 -16.048 1.00 0.00 H new ATOM 425 N ARG A 29 15.346 -12.718 -11.170 1.00 0.00 N ATOM 426 CA ARG A 29 15.123 -12.559 -9.738 1.00 0.00 C ATOM 427 C ARG A 29 14.357 -11.272 -9.447 1.00 0.00 C ATOM 428 O ARG A 29 13.983 -11.006 -8.305 1.00 0.00 O ATOM 429 CB ARG A 29 16.458 -12.550 -8.991 1.00 0.00 C ATOM 430 CG ARG A 29 17.022 -13.938 -8.735 1.00 0.00 C ATOM 431 CD ARG A 29 18.210 -13.890 -7.786 1.00 0.00 C ATOM 432 NE ARG A 29 19.382 -13.281 -8.408 1.00 0.00 N ATOM 433 CZ ARG A 29 20.096 -13.866 -9.363 1.00 0.00 C ATOM 434 NH1 ARG A 29 19.758 -15.070 -9.804 1.00 0.00 N ATOM 435 NH2 ARG A 29 21.150 -13.247 -9.879 1.00 0.00 N ATOM 0 H ARG A 29 16.171 -12.234 -11.524 1.00 0.00 H new ATOM 0 HA ARG A 29 14.526 -13.403 -9.392 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.182 -11.973 -9.566 1.00 0.00 H new ATOM 0 HB3 ARG A 29 16.328 -12.038 -8.037 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.245 -14.576 -8.315 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.327 -14.388 -9.680 1.00 0.00 H new ATOM 0 HD2 ARG A 29 17.939 -13.326 -6.894 1.00 0.00 H new ATOM 0 HD3 ARG A 29 18.456 -14.901 -7.461 1.00 0.00 H new ATOM 0 HE ARG A 29 19.668 -12.355 -8.092 1.00 0.00 H new ATOM 0 HH11 ARG A 29 18.948 -15.549 -9.410 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.308 -15.517 -10.538 1.00 0.00 H new ATOM 0 HH21 ARG A 29 21.413 -12.321 -9.542 1.00 0.00 H new ATOM 0 HH22 ARG A 29 21.697 -13.697 -10.612 1.00 0.00 H new ATOM 449 N TRP A 30 14.127 -10.478 -10.487 1.00 0.00 N ATOM 450 CA TRP A 30 13.405 -9.219 -10.343 1.00 0.00 C ATOM 451 C TRP A 30 11.959 -9.365 -10.804 1.00 0.00 C ATOM 452 O TRP A 30 11.666 -10.119 -11.732 1.00 0.00 O ATOM 453 CB TRP A 30 14.100 -8.115 -11.141 1.00 0.00 C ATOM 454 CG TRP A 30 14.361 -8.489 -12.569 1.00 0.00 C ATOM 455 CD1 TRP A 30 13.429 -8.718 -13.540 1.00 0.00 C ATOM 456 CD2 TRP A 30 15.640 -8.681 -13.184 1.00 0.00 C ATOM 457 NE1 TRP A 30 14.050 -9.039 -14.723 1.00 0.00 N ATOM 458 CE2 TRP A 30 15.407 -9.023 -14.531 1.00 0.00 C ATOM 459 CE3 TRP A 30 16.958 -8.594 -12.730 1.00 0.00 C ATOM 460 CZ2 TRP A 30 16.444 -9.278 -15.424 1.00 0.00 C ATOM 461 CZ3 TRP A 30 17.987 -8.849 -13.617 1.00 0.00 C ATOM 462 CH2 TRP A 30 17.725 -9.187 -14.952 1.00 0.00 C ATOM 0 H TRP A 30 14.430 -10.684 -11.439 1.00 0.00 H new ATOM 0 HA TRP A 30 13.404 -8.948 -9.287 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.485 -7.216 -11.115 1.00 0.00 H new ATOM 0 HB3 TRP A 30 15.046 -7.868 -10.659 1.00 0.00 H new ATOM 0 HD1 TRP A 30 12.360 -8.656 -13.399 1.00 0.00 H new ATOM 0 HE1 TRP A 30 13.578 -9.254 -15.601 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.169 -8.332 -11.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.244 -9.538 -16.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.010 -8.787 -13.276 1.00 0.00 H new ATOM 0 HH2 TRP A 30 18.551 -9.379 -15.621 1.00 0.00 H new ATOM 473 N CYS A 31 11.058 -8.638 -10.151 1.00 0.00 N ATOM 474 CA CYS A 31 9.642 -8.686 -10.494 1.00 0.00 C ATOM 475 C CYS A 31 9.412 -8.202 -11.923 1.00 0.00 C ATOM 476 O CYS A 31 10.058 -7.262 -12.382 1.00 0.00 O ATOM 477 CB CYS A 31 8.831 -7.832 -9.518 1.00 0.00 C ATOM 478 SG CYS A 31 7.907 -8.795 -8.278 1.00 0.00 S ATOM 0 H CYS A 31 11.284 -8.008 -9.381 1.00 0.00 H new ATOM 0 HA CYS A 31 9.311 -9.722 -10.422 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.506 -7.149 -9.003 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.129 -7.220 -10.084 1.00 0.00 H new ATOM 483 N ALA A 32 8.486 -8.853 -12.619 1.00 0.00 N ATOM 484 CA ALA A 32 8.168 -8.489 -13.995 1.00 0.00 C ATOM 485 C ALA A 32 6.661 -8.479 -14.226 1.00 0.00 C ATOM 486 O ALA A 32 5.882 -8.756 -13.314 1.00 0.00 O ATOM 487 CB ALA A 32 8.847 -9.445 -14.964 1.00 0.00 C ATOM 0 H ALA A 32 7.943 -9.635 -12.253 1.00 0.00 H new ATOM 0 HA ALA A 32 8.543 -7.481 -14.174 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.601 -9.161 -15.987 1.00 0.00 H new ATOM 0 HB2 ALA A 32 9.927 -9.398 -14.824 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.500 -10.461 -14.776 1.00 0.00 H new ATOM 493 N TYR A 33 6.257 -8.159 -15.450 1.00 0.00 N ATOM 494 CA TYR A 33 4.843 -8.110 -15.800 1.00 0.00 C ATOM 495 C TYR A 33 4.521 -9.108 -16.909 1.00 0.00 C ATOM 496 O TYR A 33 5.412 -9.563 -17.625 1.00 0.00 O ATOM 497 CB TYR A 33 4.453 -6.698 -16.240 1.00 0.00 C ATOM 498 CG TYR A 33 5.370 -6.116 -17.291 1.00 0.00 C ATOM 499 CD1 TYR A 33 5.335 -6.574 -18.602 1.00 0.00 C ATOM 500 CD2 TYR A 33 6.272 -5.108 -16.973 1.00 0.00 C ATOM 501 CE1 TYR A 33 6.172 -6.046 -19.566 1.00 0.00 C ATOM 502 CE2 TYR A 33 7.112 -4.573 -17.931 1.00 0.00 C ATOM 503 CZ TYR A 33 7.059 -5.046 -19.225 1.00 0.00 C ATOM 504 OH TYR A 33 7.894 -4.516 -20.183 1.00 0.00 O ATOM 0 H TYR A 33 6.889 -7.930 -16.217 1.00 0.00 H new ATOM 0 HA TYR A 33 4.267 -8.379 -14.915 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.435 -6.716 -16.628 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.451 -6.043 -15.369 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.641 -7.356 -18.872 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.317 -4.736 -15.960 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.132 -6.414 -20.581 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.806 -3.789 -17.668 1.00 0.00 H new ATOM 0 HH TYR A 33 8.455 -3.821 -19.780 1.00 0.00 H new ATOM 514 N GLN A 34 3.241 -9.440 -17.043 1.00 0.00 N ATOM 515 CA GLN A 34 2.801 -10.384 -18.065 1.00 0.00 C ATOM 516 C GLN A 34 2.804 -9.732 -19.444 1.00 0.00 C ATOM 517 O GLN A 34 2.608 -8.524 -19.570 1.00 0.00 O ATOM 518 CB GLN A 34 1.401 -10.906 -17.737 1.00 0.00 C ATOM 519 CG GLN A 34 0.299 -9.888 -17.981 1.00 0.00 C ATOM 520 CD GLN A 34 -1.042 -10.339 -17.437 1.00 0.00 C ATOM 521 OE1 GLN A 34 -1.111 -11.189 -16.549 1.00 0.00 O ATOM 522 NE2 GLN A 34 -2.118 -9.770 -17.969 1.00 0.00 N ATOM 0 H GLN A 34 2.491 -9.070 -16.458 1.00 0.00 H new ATOM 0 HA GLN A 34 3.499 -11.221 -18.077 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.203 -11.794 -18.338 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.373 -11.215 -16.692 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.575 -8.941 -17.517 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.209 -9.705 -19.052 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.014 -9.070 -18.703 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.048 -10.033 -17.643 1.00 0.00 H new ATOM 531 N ILE A 35 3.027 -10.542 -20.474 1.00 0.00 N ATOM 532 CA ILE A 35 3.055 -10.044 -21.844 1.00 0.00 C ATOM 533 C ILE A 35 1.643 -9.871 -22.394 1.00 0.00 C ATOM 534 O ILE A 35 0.917 -10.846 -22.589 1.00 0.00 O ATOM 535 CB ILE A 35 3.843 -10.988 -22.770 1.00 0.00 C ATOM 536 CG1 ILE A 35 5.210 -11.309 -22.164 1.00 0.00 C ATOM 537 CG2 ILE A 35 4.002 -10.366 -24.150 1.00 0.00 C ATOM 538 CD1 ILE A 35 6.054 -10.084 -21.893 1.00 0.00 C ATOM 0 H ILE A 35 3.191 -11.545 -20.386 1.00 0.00 H new ATOM 0 HA ILE A 35 3.554 -9.075 -21.818 1.00 0.00 H new ATOM 0 HB ILE A 35 3.285 -11.919 -22.874 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.066 -11.854 -21.231 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.751 -11.971 -22.840 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.561 -11.046 -24.793 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.018 -10.184 -24.583 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.541 -9.422 -24.064 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.009 -10.388 -21.464 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.229 -9.549 -22.826 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.533 -9.431 -21.193 1.00 0.00 H new TER 550 ILE A 35