USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=7 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00121) USER MOD Single : A 10 ASN : amide:sc= -0.452 K(o=-0.45,f=-7.1!) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0187 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 151:sc= -0.344 (180deg=-1.46!) 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 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 108:sc= -0.199 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0852 X(o=-0.085,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.087 0.964 -1.360 1.00 32.25 N ATOM 2 CA GLY A 1 1.972 -0.425 -0.956 1.00 22.43 C ATOM 3 C GLY A 1 1.279 -1.277 -2.000 1.00 71.52 C ATOM 4 O GLY A 1 0.072 -1.510 -1.922 1.00 1.23 O ATOM 0 H1 GLY A 1 2.568 1.504 -0.613 1.00 32.25 H new ATOM 0 H2 GLY A 1 2.638 1.025 -2.240 1.00 32.25 H new ATOM 0 H3 GLY A 1 1.138 1.359 -1.517 1.00 32.25 H new ATOM 0 HA2 GLY A 1 2.967 -0.828 -0.765 1.00 22.43 H new ATOM 0 HA3 GLY A 1 1.419 -0.483 -0.019 1.00 22.43 H new ATOM 8 N CYS A 2 2.042 -1.744 -2.983 1.00 2.31 N ATOM 9 CA CYS A 2 1.495 -2.573 -4.050 1.00 34.15 C ATOM 10 C CYS A 2 2.045 -3.994 -3.971 1.00 22.13 C ATOM 11 O CYS A 2 3.021 -4.256 -3.265 1.00 54.34 O ATOM 12 CB CYS A 2 1.819 -1.964 -5.415 1.00 54.01 C ATOM 13 SG CYS A 2 3.591 -1.643 -5.684 1.00 45.13 S ATOM 0 H CYS A 2 3.042 -1.562 -3.062 1.00 2.31 H new ATOM 0 HA CYS A 2 0.413 -2.614 -3.926 1.00 34.15 H new ATOM 0 HB2 CYS A 2 1.460 -2.635 -6.195 1.00 54.01 H new ATOM 0 HB3 CYS A 2 1.271 -1.028 -5.523 1.00 54.01 H new ATOM 18 N LEU A 3 1.414 -4.908 -4.699 1.00 70.30 N ATOM 19 CA LEU A 3 1.840 -6.303 -4.713 1.00 20.43 C ATOM 20 C LEU A 3 2.844 -6.555 -5.833 1.00 23.22 C ATOM 21 O LEU A 3 2.596 -6.219 -6.990 1.00 4.41 O ATOM 22 CB LEU A 3 0.631 -7.225 -4.880 1.00 14.11 C ATOM 23 CG LEU A 3 -0.519 -7.009 -3.895 1.00 22.42 C ATOM 24 CD1 LEU A 3 -1.832 -7.487 -4.494 1.00 73.31 C ATOM 25 CD2 LEU A 3 -0.237 -7.726 -2.582 1.00 55.20 C ATOM 0 H LEU A 3 0.605 -4.708 -5.288 1.00 70.30 H new ATOM 0 HA LEU A 3 2.324 -6.518 -3.761 1.00 20.43 H new ATOM 0 HB2 LEU A 3 0.244 -7.104 -5.892 1.00 14.11 H new ATOM 0 HB3 LEU A 3 0.971 -8.257 -4.790 1.00 14.11 H new ATOM 0 HG LEU A 3 -0.604 -5.941 -3.693 1.00 22.42 H new ATOM 0 HD11 LEU A 3 -2.638 -7.325 -3.779 1.00 73.31 H new ATOM 0 HD12 LEU A 3 -2.040 -6.929 -5.407 1.00 73.31 H new ATOM 0 HD13 LEU A 3 -1.761 -8.550 -4.726 1.00 73.31 H new ATOM 0 HD21 LEU A 3 -1.065 -7.562 -1.893 1.00 55.20 H new ATOM 0 HD22 LEU A 3 -0.126 -8.794 -2.767 1.00 55.20 H new ATOM 0 HD23 LEU A 3 0.682 -7.336 -2.144 1.00 55.20 H new ATOM 37 N GLY A 4 3.979 -7.152 -5.480 1.00 41.15 N ATOM 38 CA GLY A 4 5.003 -7.441 -6.468 1.00 11.34 C ATOM 39 C GLY A 4 4.506 -8.359 -7.567 1.00 11.42 C ATOM 40 O GLY A 4 3.308 -8.624 -7.668 1.00 32.40 O ATOM 0 H GLY A 4 4.207 -7.440 -4.529 1.00 41.15 H new ATOM 0 HA2 GLY A 4 5.352 -6.507 -6.909 1.00 11.34 H new ATOM 0 HA3 GLY A 4 5.860 -7.900 -5.975 1.00 11.34 H new ATOM 44 N ILE A 5 5.427 -8.843 -8.393 1.00 2.42 N ATOM 45 CA ILE A 5 5.075 -9.735 -9.490 1.00 63.21 C ATOM 46 C ILE A 5 4.940 -11.175 -9.006 1.00 4.10 C ATOM 47 O ILE A 5 5.640 -11.600 -8.087 1.00 23.33 O ATOM 48 CB ILE A 5 6.123 -9.681 -10.618 1.00 54.21 C ATOM 49 CG1 ILE A 5 5.681 -10.552 -11.796 1.00 2.10 C ATOM 50 CG2 ILE A 5 7.482 -10.129 -10.101 1.00 54.40 C ATOM 51 CD1 ILE A 5 6.594 -10.451 -12.998 1.00 1.42 C ATOM 0 H ILE A 5 6.423 -8.632 -8.323 1.00 2.42 H new ATOM 0 HA ILE A 5 4.116 -9.393 -9.879 1.00 63.21 H new ATOM 0 HB ILE A 5 6.210 -8.651 -10.964 1.00 54.21 H new ATOM 0 HG12 ILE A 5 5.635 -11.592 -11.471 1.00 2.10 H new ATOM 0 HG13 ILE A 5 4.672 -10.265 -12.091 1.00 2.10 H new ATOM 0 HG21 ILE A 5 8.211 -10.085 -10.910 1.00 54.40 H new ATOM 0 HG22 ILE A 5 7.798 -9.471 -9.291 1.00 54.40 H new ATOM 0 HG23 ILE A 5 7.411 -11.152 -9.731 1.00 54.40 H new ATOM 0 HD11 ILE A 5 6.220 -11.095 -13.794 1.00 1.42 H new ATOM 0 HD12 ILE A 5 6.622 -9.419 -13.348 1.00 1.42 H new ATOM 0 HD13 ILE A 5 7.599 -10.766 -12.719 1.00 1.42 H new ATOM 63 N PHE A 6 4.037 -11.922 -9.632 1.00 51.31 N ATOM 64 CA PHE A 6 3.810 -13.315 -9.266 1.00 43.00 C ATOM 65 C PHE A 6 3.431 -13.435 -7.793 1.00 74.41 C ATOM 66 O PHE A 6 3.903 -14.328 -7.089 1.00 75.40 O ATOM 67 CB PHE A 6 5.061 -14.149 -9.552 1.00 33.31 C ATOM 68 CG PHE A 6 5.244 -14.475 -11.007 1.00 24.05 C ATOM 69 CD1 PHE A 6 4.257 -15.145 -11.710 1.00 73.31 C ATOM 70 CD2 PHE A 6 6.405 -14.111 -11.670 1.00 60.43 C ATOM 71 CE1 PHE A 6 4.422 -15.446 -13.049 1.00 24.20 C ATOM 72 CE2 PHE A 6 6.576 -14.409 -13.009 1.00 21.20 C ATOM 73 CZ PHE A 6 5.584 -15.079 -13.699 1.00 2.51 C ATOM 0 H PHE A 6 3.450 -11.586 -10.396 1.00 51.31 H new ATOM 0 HA PHE A 6 2.984 -13.693 -9.868 1.00 43.00 H new ATOM 0 HB2 PHE A 6 5.938 -13.608 -9.196 1.00 33.31 H new ATOM 0 HB3 PHE A 6 5.007 -15.078 -8.984 1.00 33.31 H new ATOM 0 HD1 PHE A 6 3.347 -15.436 -11.206 1.00 73.31 H new ATOM 0 HD2 PHE A 6 7.185 -13.589 -11.135 1.00 60.43 H new ATOM 0 HE1 PHE A 6 3.643 -15.967 -13.586 1.00 24.20 H new ATOM 0 HE2 PHE A 6 7.484 -14.118 -13.515 1.00 21.20 H new ATOM 0 HZ PHE A 6 5.717 -15.315 -14.744 1.00 2.51 H new ATOM 83 N LYS A 7 2.575 -12.529 -7.333 1.00 74.31 N ATOM 84 CA LYS A 7 2.129 -12.532 -5.945 1.00 22.23 C ATOM 85 C LYS A 7 0.626 -12.773 -5.856 1.00 54.21 C ATOM 86 O LYS A 7 -0.163 -12.075 -6.493 1.00 3.53 O ATOM 87 CB LYS A 7 2.485 -11.205 -5.271 1.00 14.12 C ATOM 88 CG LYS A 7 3.935 -11.117 -4.828 1.00 13.05 C ATOM 89 CD LYS A 7 4.195 -11.970 -3.597 1.00 55.12 C ATOM 90 CE LYS A 7 3.918 -11.199 -2.316 1.00 11.43 C ATOM 91 NZ LYS A 7 5.034 -10.275 -1.973 1.00 2.45 N ATOM 0 H LYS A 7 2.176 -11.782 -7.902 1.00 74.31 H new ATOM 0 HA LYS A 7 2.640 -13.344 -5.427 1.00 22.23 H new ATOM 0 HB2 LYS A 7 2.275 -10.389 -5.962 1.00 14.12 H new ATOM 0 HB3 LYS A 7 1.840 -11.063 -4.404 1.00 14.12 H new ATOM 0 HG2 LYS A 7 4.585 -11.442 -5.641 1.00 13.05 H new ATOM 0 HG3 LYS A 7 4.188 -10.079 -4.613 1.00 13.05 H new ATOM 0 HD2 LYS A 7 3.566 -12.860 -3.630 1.00 55.12 H new ATOM 0 HD3 LYS A 7 5.230 -12.311 -3.601 1.00 55.12 H new ATOM 0 HE2 LYS A 7 2.996 -10.629 -2.427 1.00 11.43 H new ATOM 0 HE3 LYS A 7 3.762 -11.900 -1.496 1.00 11.43 H new ATOM 0 HZ1 LYS A 7 4.815 -9.781 -1.085 1.00 2.45 H new ATOM 0 HZ2 LYS A 7 5.913 -10.819 -1.858 1.00 2.45 H new ATOM 0 HZ3 LYS A 7 5.155 -9.579 -2.736 1.00 2.45 H new ATOM 105 N ALA A 8 0.235 -13.764 -5.062 1.00 24.24 N ATOM 106 CA ALA A 8 -1.174 -14.094 -4.887 1.00 43.13 C ATOM 107 C ALA A 8 -1.988 -12.854 -4.532 1.00 63.30 C ATOM 108 O ALA A 8 -1.496 -11.947 -3.860 1.00 64.31 O ATOM 109 CB ALA A 8 -1.337 -15.160 -3.815 1.00 34.54 C ATOM 0 H ALA A 8 0.875 -14.353 -4.529 1.00 24.24 H new ATOM 0 HA ALA A 8 -1.550 -14.485 -5.832 1.00 43.13 H new ATOM 0 HB1 ALA A 8 -2.394 -15.397 -3.695 1.00 34.54 H new ATOM 0 HB2 ALA A 8 -0.795 -16.059 -4.110 1.00 34.54 H new ATOM 0 HB3 ALA A 8 -0.938 -14.790 -2.870 1.00 34.54 H new ATOM 115 N CYS A 9 -3.236 -12.821 -4.988 1.00 25.03 N ATOM 116 CA CYS A 9 -4.118 -11.692 -4.719 1.00 72.23 C ATOM 117 C CYS A 9 -5.514 -11.947 -5.282 1.00 24.20 C ATOM 118 O CYS A 9 -5.788 -13.015 -5.828 1.00 12.21 O ATOM 119 CB CYS A 9 -3.540 -10.411 -5.322 1.00 45.33 C ATOM 120 SG CYS A 9 -2.946 -10.597 -7.035 1.00 1.25 S ATOM 0 H CYS A 9 -3.659 -13.563 -5.545 1.00 25.03 H new ATOM 0 HA CYS A 9 -4.196 -11.574 -3.638 1.00 72.23 H new ATOM 0 HB2 CYS A 9 -4.303 -9.633 -5.296 1.00 45.33 H new ATOM 0 HB3 CYS A 9 -2.715 -10.069 -4.698 1.00 45.33 H new ATOM 125 N ASN A 10 -6.391 -10.958 -5.144 1.00 62.23 N ATOM 126 CA ASN A 10 -7.758 -11.075 -5.638 1.00 50.04 C ATOM 127 C ASN A 10 -8.045 -10.017 -6.700 1.00 31.32 C ATOM 128 O ASN A 10 -7.635 -8.862 -6.587 1.00 14.31 O ATOM 129 CB ASN A 10 -8.753 -10.938 -4.484 1.00 60.51 C ATOM 130 CG ASN A 10 -8.698 -9.571 -3.832 1.00 4.42 C ATOM 131 OD1 ASN A 10 -7.702 -8.855 -3.947 1.00 72.42 O ATOM 132 ND2 ASN A 10 -9.770 -9.201 -3.141 1.00 40.34 N ATOM 0 H ASN A 10 -6.180 -10.067 -4.694 1.00 62.23 H new ATOM 0 HA ASN A 10 -7.871 -12.060 -6.091 1.00 50.04 H new ATOM 0 HB2 ASN A 10 -9.762 -11.120 -4.854 1.00 60.51 H new ATOM 0 HB3 ASN A 10 -8.545 -11.703 -3.736 1.00 60.51 H new ATOM 0 HD21 ASN A 10 -9.790 -8.292 -2.679 1.00 40.34 H new ATOM 0 HD22 ASN A 10 -10.573 -9.826 -3.072 1.00 40.34 H new ATOM 139 N PRO A 11 -8.767 -10.420 -7.756 1.00 42.23 N ATOM 140 CA PRO A 11 -9.126 -9.522 -8.858 1.00 11.01 C ATOM 141 C PRO A 11 -10.146 -8.469 -8.438 1.00 72.04 C ATOM 142 O PRO A 11 -10.165 -7.361 -8.975 1.00 30.15 O ATOM 143 CB PRO A 11 -9.730 -10.465 -9.902 1.00 25.13 C ATOM 144 CG PRO A 11 -10.232 -11.627 -9.117 1.00 21.33 C ATOM 145 CD PRO A 11 -9.288 -11.782 -7.956 1.00 71.45 C ATOM 0 HA PRO A 11 -8.267 -8.957 -9.220 1.00 11.01 H new ATOM 0 HB2 PRO A 11 -10.537 -9.981 -10.453 1.00 25.13 H new ATOM 0 HB3 PRO A 11 -8.984 -10.774 -10.634 1.00 25.13 H new ATOM 0 HG2 PRO A 11 -11.251 -11.453 -8.771 1.00 21.33 H new ATOM 0 HG3 PRO A 11 -10.252 -12.530 -9.727 1.00 21.33 H new ATOM 0 HD2 PRO A 11 -9.801 -12.151 -7.068 1.00 71.45 H new ATOM 0 HD3 PRO A 11 -8.489 -12.489 -8.179 1.00 71.45 H new ATOM 153 N SER A 12 -10.993 -8.822 -7.477 1.00 22.15 N ATOM 154 CA SER A 12 -12.018 -7.908 -6.987 1.00 73.04 C ATOM 155 C SER A 12 -11.387 -6.681 -6.336 1.00 62.41 C ATOM 156 O SER A 12 -11.954 -5.590 -6.362 1.00 72.11 O ATOM 157 CB SER A 12 -12.930 -8.619 -5.985 1.00 65.43 C ATOM 158 OG SER A 12 -13.161 -9.963 -6.371 1.00 74.02 O ATOM 0 H SER A 12 -10.990 -9.735 -7.022 1.00 22.15 H new ATOM 0 HA SER A 12 -12.613 -7.580 -7.839 1.00 73.04 H new ATOM 0 HB2 SER A 12 -12.476 -8.595 -4.994 1.00 65.43 H new ATOM 0 HB3 SER A 12 -13.880 -8.089 -5.913 1.00 65.43 H new ATOM 0 HG SER A 12 -13.745 -10.396 -5.714 1.00 74.02 H new ATOM 164 N ASN A 13 -10.208 -6.870 -5.752 1.00 61.22 N ATOM 165 CA ASN A 13 -9.498 -5.780 -5.093 1.00 11.00 C ATOM 166 C ASN A 13 -8.033 -5.751 -5.516 1.00 4.31 C ATOM 167 O ASN A 13 -7.139 -5.585 -4.685 1.00 53.22 O ATOM 168 CB ASN A 13 -9.599 -5.923 -3.573 1.00 71.30 C ATOM 169 CG ASN A 13 -9.540 -4.586 -2.861 1.00 10.40 C ATOM 170 OD1 ASN A 13 -8.509 -4.213 -2.300 1.00 72.33 O ATOM 171 ND2 ASN A 13 -10.649 -3.856 -2.880 1.00 54.11 N ATOM 0 H ASN A 13 -9.724 -7.768 -5.722 1.00 61.22 H new ATOM 0 HA ASN A 13 -9.963 -4.842 -5.395 1.00 11.00 H new ATOM 0 HB2 ASN A 13 -10.532 -6.426 -3.319 1.00 71.30 H new ATOM 0 HB3 ASN A 13 -8.788 -6.558 -3.216 1.00 71.30 H new ATOM 0 HD21 ASN A 13 -10.669 -2.947 -2.418 1.00 54.11 H new ATOM 0 HD22 ASN A 13 -11.481 -4.204 -3.357 1.00 54.11 H new ATOM 178 N ASP A 14 -7.794 -5.912 -6.813 1.00 24.34 N ATOM 179 CA ASP A 14 -6.437 -5.903 -7.347 1.00 43.30 C ATOM 180 C ASP A 14 -5.667 -4.682 -6.853 1.00 24.24 C ATOM 181 O ASP A 14 -6.172 -3.561 -6.891 1.00 12.11 O ATOM 182 CB ASP A 14 -6.468 -5.917 -8.876 1.00 41.41 C ATOM 183 CG ASP A 14 -5.166 -5.434 -9.486 1.00 74.41 C ATOM 184 OD1 ASP A 14 -4.094 -5.802 -8.963 1.00 32.14 O ATOM 185 OD2 ASP A 14 -5.220 -4.689 -10.487 1.00 11.44 O ATOM 0 H ASP A 14 -8.522 -6.050 -7.514 1.00 24.34 H new ATOM 0 HA ASP A 14 -5.928 -6.799 -6.993 1.00 43.30 H new ATOM 0 HB2 ASP A 14 -6.675 -6.929 -9.223 1.00 41.41 H new ATOM 0 HB3 ASP A 14 -7.286 -5.287 -9.226 1.00 41.41 H new ATOM 190 N GLN A 15 -4.442 -4.910 -6.388 1.00 51.43 N ATOM 191 CA GLN A 15 -3.604 -3.828 -5.885 1.00 24.23 C ATOM 192 C GLN A 15 -2.138 -4.072 -6.227 1.00 45.42 C ATOM 193 O GLN A 15 -1.243 -3.732 -5.452 1.00 12.11 O ATOM 194 CB GLN A 15 -3.770 -3.689 -4.371 1.00 5.35 C ATOM 195 CG GLN A 15 -5.071 -3.019 -3.960 1.00 72.23 C ATOM 196 CD GLN A 15 -5.020 -2.457 -2.553 1.00 51.35 C ATOM 197 OE1 GLN A 15 -5.113 -3.196 -1.573 1.00 41.01 O ATOM 198 NE2 GLN A 15 -4.872 -1.141 -2.447 1.00 25.54 N ATOM 0 H GLN A 15 -4.009 -5.833 -6.349 1.00 51.43 H new ATOM 0 HA GLN A 15 -3.921 -2.902 -6.365 1.00 24.23 H new ATOM 0 HB2 GLN A 15 -3.721 -4.678 -3.916 1.00 5.35 H new ATOM 0 HB3 GLN A 15 -2.934 -3.114 -3.974 1.00 5.35 H new ATOM 0 HG2 GLN A 15 -5.298 -2.215 -4.660 1.00 72.23 H new ATOM 0 HG3 GLN A 15 -5.885 -3.741 -4.029 1.00 72.23 H new ATOM 0 HE21 GLN A 15 -4.799 -0.567 -3.287 1.00 25.54 H new ATOM 0 HE22 GLN A 15 -4.831 -0.705 -1.526 1.00 25.54 H new ATOM 207 N CYS A 16 -1.898 -4.662 -7.393 1.00 64.31 N ATOM 208 CA CYS A 16 -0.540 -4.952 -7.839 1.00 32.51 C ATOM 209 C CYS A 16 0.226 -3.664 -8.124 1.00 11.14 C ATOM 210 O CYS A 16 -0.342 -2.571 -8.094 1.00 24.50 O ATOM 211 CB CYS A 16 -0.569 -5.829 -9.092 1.00 72.24 C ATOM 212 SG CYS A 16 -1.452 -7.408 -8.875 1.00 51.25 S ATOM 0 H CYS A 16 -2.627 -4.949 -8.047 1.00 64.31 H new ATOM 0 HA CYS A 16 -0.029 -5.488 -7.040 1.00 32.51 H new ATOM 0 HB2 CYS A 16 -1.038 -5.271 -9.902 1.00 72.24 H new ATOM 0 HB3 CYS A 16 0.456 -6.037 -9.400 1.00 72.24 H new ATOM 217 N CYS A 17 1.519 -3.799 -8.400 1.00 34.52 N ATOM 218 CA CYS A 17 2.364 -2.648 -8.690 1.00 0.20 C ATOM 219 C CYS A 17 2.182 -2.189 -10.134 1.00 33.21 C ATOM 220 O CYS A 17 2.916 -2.609 -11.028 1.00 61.53 O ATOM 221 CB CYS A 17 3.833 -2.990 -8.433 1.00 41.45 C ATOM 222 SG CYS A 17 4.237 -3.266 -6.679 1.00 12.13 S ATOM 0 H CYS A 17 2.004 -4.696 -8.429 1.00 34.52 H new ATOM 0 HA CYS A 17 2.066 -1.834 -8.029 1.00 0.20 H new ATOM 0 HB2 CYS A 17 4.091 -3.885 -8.999 1.00 41.45 H new ATOM 0 HB3 CYS A 17 4.455 -2.181 -8.815 1.00 41.45 H new ATOM 227 N LYS A 18 1.198 -1.324 -10.354 1.00 73.02 N ATOM 228 CA LYS A 18 0.918 -0.806 -11.688 1.00 41.11 C ATOM 229 C LYS A 18 2.187 -0.264 -12.338 1.00 50.51 C ATOM 230 O LYS A 18 2.353 -0.338 -13.556 1.00 14.24 O ATOM 231 CB LYS A 18 -0.142 0.295 -11.618 1.00 54.30 C ATOM 232 CG LYS A 18 -1.485 -0.186 -11.096 1.00 11.23 C ATOM 233 CD LYS A 18 -2.281 -0.898 -12.177 1.00 13.44 C ATOM 234 CE LYS A 18 -3.140 0.076 -12.969 1.00 42.31 C ATOM 235 NZ LYS A 18 -2.362 0.754 -14.043 1.00 10.31 N ATOM 0 H LYS A 18 0.581 -0.967 -9.625 1.00 73.02 H new ATOM 0 HA LYS A 18 0.540 -1.627 -12.298 1.00 41.11 H new ATOM 0 HB2 LYS A 18 0.222 1.097 -10.976 1.00 54.30 H new ATOM 0 HB3 LYS A 18 -0.279 0.720 -12.613 1.00 54.30 H new ATOM 0 HG2 LYS A 18 -1.329 -0.860 -10.254 1.00 11.23 H new ATOM 0 HG3 LYS A 18 -2.056 0.664 -10.722 1.00 11.23 H new ATOM 0 HD2 LYS A 18 -1.599 -1.415 -12.852 1.00 13.44 H new ATOM 0 HD3 LYS A 18 -2.916 -1.658 -11.722 1.00 13.44 H new ATOM 0 HE2 LYS A 18 -3.981 -0.458 -13.411 1.00 42.31 H new ATOM 0 HE3 LYS A 18 -3.557 0.824 -12.295 1.00 42.31 H new ATOM 0 HZ1 LYS A 18 -2.997 0.999 -14.829 1.00 10.31 H new ATOM 0 HZ2 LYS A 18 -1.929 1.620 -13.664 1.00 10.31 H new ATOM 0 HZ3 LYS A 18 -1.616 0.116 -14.387 1.00 10.31 H new ATOM 249 N SER A 19 3.081 0.280 -11.518 1.00 54.41 N ATOM 250 CA SER A 19 4.334 0.837 -12.014 1.00 52.10 C ATOM 251 C SER A 19 5.093 -0.191 -12.847 1.00 22.22 C ATOM 252 O SER A 19 5.743 0.151 -13.834 1.00 42.44 O ATOM 253 CB SER A 19 5.204 1.308 -10.847 1.00 40.43 C ATOM 254 OG SER A 19 6.554 1.463 -11.248 1.00 43.54 O ATOM 0 H SER A 19 2.961 0.347 -10.507 1.00 54.41 H new ATOM 0 HA SER A 19 4.098 1.691 -12.649 1.00 52.10 H new ATOM 0 HB2 SER A 19 4.824 2.255 -10.465 1.00 40.43 H new ATOM 0 HB3 SER A 19 5.144 0.588 -10.031 1.00 40.43 H new ATOM 0 HG SER A 19 7.089 1.766 -10.485 1.00 43.54 H new ATOM 260 N SER A 20 5.006 -1.454 -12.440 1.00 53.32 N ATOM 261 CA SER A 20 5.687 -2.533 -13.146 1.00 2.25 C ATOM 262 C SER A 20 4.730 -3.254 -14.090 1.00 44.54 C ATOM 263 O SER A 20 4.957 -4.405 -14.464 1.00 10.41 O ATOM 264 CB SER A 20 6.282 -3.528 -12.147 1.00 14.31 C ATOM 265 OG SER A 20 7.630 -3.209 -11.851 1.00 65.54 O ATOM 0 H SER A 20 4.471 -1.755 -11.625 1.00 53.32 H new ATOM 0 HA SER A 20 6.492 -2.096 -13.737 1.00 2.25 H new ATOM 0 HB2 SER A 20 5.694 -3.522 -11.229 1.00 14.31 H new ATOM 0 HB3 SER A 20 6.225 -4.537 -12.556 1.00 14.31 H new ATOM 0 HG SER A 20 7.987 -3.858 -11.209 1.00 65.54 H new ATOM 271 N LYS A 21 3.659 -2.567 -14.474 1.00 20.52 N ATOM 272 CA LYS A 21 2.666 -3.139 -15.376 1.00 64.01 C ATOM 273 C LYS A 21 2.224 -4.518 -14.896 1.00 2.43 C ATOM 274 O LYS A 21 2.387 -5.514 -15.601 1.00 40.14 O ATOM 275 CB LYS A 21 3.234 -3.239 -16.794 1.00 34.11 C ATOM 276 CG LYS A 21 2.182 -3.102 -17.881 1.00 34.01 C ATOM 277 CD LYS A 21 1.435 -4.407 -18.102 1.00 15.44 C ATOM 278 CE LYS A 21 0.202 -4.500 -17.215 1.00 40.12 C ATOM 279 NZ LYS A 21 -1.054 -4.288 -17.987 1.00 43.01 N ATOM 0 H LYS A 21 3.457 -1.613 -14.174 1.00 20.52 H new ATOM 0 HA LYS A 21 1.797 -2.481 -15.384 1.00 64.01 H new ATOM 0 HB2 LYS A 21 3.988 -2.464 -16.930 1.00 34.11 H new ATOM 0 HB3 LYS A 21 3.739 -4.198 -16.907 1.00 34.11 H new ATOM 0 HG2 LYS A 21 1.475 -2.319 -17.608 1.00 34.01 H new ATOM 0 HG3 LYS A 21 2.657 -2.792 -18.812 1.00 34.01 H new ATOM 0 HD2 LYS A 21 1.139 -4.485 -19.148 1.00 15.44 H new ATOM 0 HD3 LYS A 21 2.098 -5.247 -17.895 1.00 15.44 H new ATOM 0 HE2 LYS A 21 0.173 -5.478 -16.735 1.00 40.12 H new ATOM 0 HE3 LYS A 21 0.270 -3.757 -16.420 1.00 40.12 H new ATOM 0 HZ1 LYS A 21 -1.871 -4.359 -17.347 1.00 43.01 H new ATOM 0 HZ2 LYS A 21 -1.038 -3.344 -18.424 1.00 43.01 H new ATOM 0 HZ3 LYS A 21 -1.132 -5.012 -18.729 1.00 43.01 H new ATOM 293 N LEU A 22 1.663 -4.568 -13.693 1.00 4.25 N ATOM 294 CA LEU A 22 1.196 -5.825 -13.118 1.00 52.32 C ATOM 295 C LEU A 22 -0.283 -5.740 -12.753 1.00 3.33 C ATOM 296 O LEU A 22 -0.753 -4.714 -12.260 1.00 32.54 O ATOM 297 CB LEU A 22 2.020 -6.180 -11.879 1.00 54.22 C ATOM 298 CG LEU A 22 3.531 -6.284 -12.085 1.00 61.15 C ATOM 299 CD1 LEU A 22 4.274 -5.768 -10.863 1.00 35.04 C ATOM 300 CD2 LEU A 22 3.930 -7.721 -12.387 1.00 23.31 C ATOM 0 H LEU A 22 1.520 -3.753 -13.097 1.00 4.25 H new ATOM 0 HA LEU A 22 1.322 -6.608 -13.866 1.00 52.32 H new ATOM 0 HB2 LEU A 22 1.829 -5.429 -11.113 1.00 54.22 H new ATOM 0 HB3 LEU A 22 1.660 -7.132 -11.489 1.00 54.22 H new ATOM 0 HG LEU A 22 3.805 -5.664 -12.939 1.00 61.15 H new ATOM 0 HD11 LEU A 22 5.348 -5.850 -11.029 1.00 35.04 H new ATOM 0 HD12 LEU A 22 4.012 -4.724 -10.692 1.00 35.04 H new ATOM 0 HD13 LEU A 22 3.995 -6.360 -9.991 1.00 35.04 H new ATOM 0 HD21 LEU A 22 5.009 -7.776 -12.531 1.00 23.31 H new ATOM 0 HD22 LEU A 22 3.642 -8.362 -11.554 1.00 23.31 H new ATOM 0 HD23 LEU A 22 3.426 -8.056 -13.293 1.00 23.31 H new ATOM 312 N VAL A 23 -1.011 -6.825 -12.996 1.00 25.10 N ATOM 313 CA VAL A 23 -2.435 -6.875 -12.689 1.00 51.25 C ATOM 314 C VAL A 23 -2.851 -8.269 -12.234 1.00 60.14 C ATOM 315 O VAL A 23 -2.442 -9.273 -12.819 1.00 3.23 O ATOM 316 CB VAL A 23 -3.286 -6.469 -13.908 1.00 22.33 C ATOM 317 CG1 VAL A 23 -4.768 -6.561 -13.578 1.00 40.35 C ATOM 318 CG2 VAL A 23 -2.919 -5.067 -14.370 1.00 34.01 C ATOM 0 H VAL A 23 -0.638 -7.682 -13.405 1.00 25.10 H new ATOM 0 HA VAL A 23 -2.610 -6.165 -11.880 1.00 51.25 H new ATOM 0 HB VAL A 23 -3.077 -7.161 -14.724 1.00 22.33 H new ATOM 0 HG11 VAL A 23 -5.354 -6.271 -14.450 1.00 40.35 H new ATOM 0 HG12 VAL A 23 -5.016 -7.585 -13.299 1.00 40.35 H new ATOM 0 HG13 VAL A 23 -4.998 -5.893 -12.748 1.00 40.35 H new ATOM 0 HG21 VAL A 23 -3.529 -4.796 -15.232 1.00 34.01 H new ATOM 0 HG22 VAL A 23 -3.099 -4.359 -13.561 1.00 34.01 H new ATOM 0 HG23 VAL A 23 -1.866 -5.040 -14.649 1.00 34.01 H new ATOM 328 N CYS A 24 -3.668 -8.325 -11.188 1.00 4.34 N ATOM 329 CA CYS A 24 -4.140 -9.596 -10.653 1.00 13.24 C ATOM 330 C CYS A 24 -5.197 -10.211 -11.566 1.00 11.05 C ATOM 331 O CYS A 24 -6.302 -9.684 -11.697 1.00 4.21 O ATOM 332 CB CYS A 24 -4.715 -9.400 -9.248 1.00 53.24 C ATOM 333 SG CYS A 24 -4.572 -10.865 -8.175 1.00 41.31 S ATOM 0 H CYS A 24 -4.017 -7.504 -10.694 1.00 4.34 H new ATOM 0 HA CYS A 24 -3.291 -10.277 -10.599 1.00 13.24 H new ATOM 0 HB2 CYS A 24 -4.205 -8.563 -8.772 1.00 53.24 H new ATOM 0 HB3 CYS A 24 -5.767 -9.126 -9.332 1.00 53.24 H new ATOM 338 N SER A 25 -4.850 -11.330 -12.194 1.00 4.51 N ATOM 339 CA SER A 25 -5.766 -12.015 -13.097 1.00 73.13 C ATOM 340 C SER A 25 -6.846 -12.757 -12.315 1.00 62.45 C ATOM 341 O SER A 25 -6.617 -13.205 -11.192 1.00 0.34 O ATOM 342 CB SER A 25 -5.000 -12.995 -13.988 1.00 34.53 C ATOM 343 OG SER A 25 -5.619 -13.123 -15.256 1.00 51.32 O ATOM 0 H SER A 25 -3.941 -11.781 -12.094 1.00 4.51 H new ATOM 0 HA SER A 25 -6.247 -11.265 -13.725 1.00 73.13 H new ATOM 0 HB2 SER A 25 -3.974 -12.650 -14.114 1.00 34.53 H new ATOM 0 HB3 SER A 25 -4.952 -13.970 -13.503 1.00 34.53 H new ATOM 0 HG SER A 25 -5.109 -13.753 -15.807 1.00 51.32 H new ATOM 349 N ARG A 26 -8.023 -12.884 -12.919 1.00 11.11 N ATOM 350 CA ARG A 26 -9.139 -13.570 -12.280 1.00 33.51 C ATOM 351 C ARG A 26 -8.962 -15.084 -12.357 1.00 35.12 C ATOM 352 O ARG A 26 -9.463 -15.823 -11.508 1.00 41.33 O ATOM 353 CB ARG A 26 -10.459 -13.166 -12.939 1.00 72.33 C ATOM 354 CG ARG A 26 -10.700 -11.666 -12.951 1.00 1.42 C ATOM 355 CD ARG A 26 -11.735 -11.275 -13.994 1.00 72.41 C ATOM 356 NE ARG A 26 -11.502 -9.933 -14.521 1.00 73.51 N ATOM 357 CZ ARG A 26 -12.382 -9.273 -15.265 1.00 75.23 C ATOM 358 NH1 ARG A 26 -13.548 -9.828 -15.568 1.00 50.11 N ATOM 359 NH2 ARG A 26 -12.098 -8.055 -15.708 1.00 24.12 N ATOM 0 H ARG A 26 -8.228 -12.521 -13.850 1.00 11.11 H new ATOM 0 HA ARG A 26 -9.160 -13.276 -11.230 1.00 33.51 H new ATOM 0 HB2 ARG A 26 -10.471 -13.536 -13.964 1.00 72.33 H new ATOM 0 HB3 ARG A 26 -11.281 -13.653 -12.415 1.00 72.33 H new ATOM 0 HG2 ARG A 26 -11.035 -11.343 -11.966 1.00 1.42 H new ATOM 0 HG3 ARG A 26 -9.763 -11.148 -13.155 1.00 1.42 H new ATOM 0 HD2 ARG A 26 -11.714 -11.994 -14.813 1.00 72.41 H new ATOM 0 HD3 ARG A 26 -12.730 -11.323 -13.553 1.00 72.41 H new ATOM 0 HE ARG A 26 -10.615 -9.478 -14.306 1.00 73.51 H new ATOM 0 HH11 ARG A 26 -13.771 -10.764 -15.229 1.00 50.11 H new ATOM 0 HH12 ARG A 26 -14.222 -9.319 -16.140 1.00 50.11 H new ATOM 0 HH21 ARG A 26 -11.203 -7.624 -15.477 1.00 24.12 H new ATOM 0 HH22 ARG A 26 -12.775 -7.549 -16.279 1.00 24.12 H new ATOM 373 N LYS A 27 -8.248 -15.540 -13.380 1.00 3.20 N ATOM 374 CA LYS A 27 -8.003 -16.965 -13.569 1.00 13.23 C ATOM 375 C LYS A 27 -6.724 -17.396 -12.859 1.00 31.23 C ATOM 376 O LYS A 27 -6.663 -18.474 -12.266 1.00 72.24 O ATOM 377 CB LYS A 27 -7.907 -17.293 -15.060 1.00 61.53 C ATOM 378 CG LYS A 27 -7.747 -18.776 -15.347 1.00 74.53 C ATOM 379 CD LYS A 27 -9.011 -19.549 -15.009 1.00 33.03 C ATOM 380 CE LYS A 27 -10.141 -19.219 -15.972 1.00 13.22 C ATOM 381 NZ LYS A 27 -11.272 -20.181 -15.851 1.00 44.34 N ATOM 0 H LYS A 27 -7.828 -14.943 -14.092 1.00 3.20 H new ATOM 0 HA LYS A 27 -8.840 -17.513 -13.136 1.00 13.23 H new ATOM 0 HB2 LYS A 27 -8.803 -16.929 -15.562 1.00 61.53 H new ATOM 0 HB3 LYS A 27 -7.061 -16.755 -15.488 1.00 61.53 H new ATOM 0 HG2 LYS A 27 -7.502 -18.919 -16.399 1.00 74.53 H new ATOM 0 HG3 LYS A 27 -6.912 -19.171 -14.769 1.00 74.53 H new ATOM 0 HD2 LYS A 27 -8.804 -20.619 -15.042 1.00 33.03 H new ATOM 0 HD3 LYS A 27 -9.320 -19.315 -13.990 1.00 33.03 H new ATOM 0 HE2 LYS A 27 -10.501 -18.209 -15.777 1.00 13.22 H new ATOM 0 HE3 LYS A 27 -9.762 -19.231 -16.994 1.00 13.22 H new ATOM 0 HZ1 LYS A 27 -12.022 -19.922 -16.524 1.00 44.34 H new ATOM 0 HZ2 LYS A 27 -10.935 -21.142 -16.062 1.00 44.34 H new ATOM 0 HZ3 LYS A 27 -11.650 -20.152 -14.883 1.00 44.34 H new ATOM 395 N THR A 28 -5.703 -16.547 -12.921 1.00 21.05 N ATOM 396 CA THR A 28 -4.425 -16.840 -12.283 1.00 74.34 C ATOM 397 C THR A 28 -4.440 -16.442 -10.812 1.00 54.22 C ATOM 398 O THR A 28 -3.772 -17.062 -9.985 1.00 12.44 O ATOM 399 CB THR A 28 -3.266 -16.112 -12.989 1.00 24.41 C ATOM 400 OG1 THR A 28 -3.122 -14.790 -12.458 1.00 60.23 O ATOM 401 CG2 THR A 28 -3.506 -16.039 -14.489 1.00 42.23 C ATOM 0 H THR A 28 -5.736 -15.651 -13.407 1.00 21.05 H new ATOM 0 HA THR A 28 -4.271 -17.916 -12.363 1.00 74.34 H new ATOM 0 HB THR A 28 -2.350 -16.676 -12.811 1.00 24.41 H new ATOM 0 HG1 THR A 28 -2.309 -14.743 -11.913 1.00 60.23 H new ATOM 0 HG21 THR A 28 -2.674 -15.521 -14.966 1.00 42.23 H new ATOM 0 HG22 THR A 28 -3.585 -17.048 -14.894 1.00 42.23 H new ATOM 0 HG23 THR A 28 -4.431 -15.496 -14.683 1.00 42.23 H new ATOM 409 N ARG A 29 -5.207 -15.404 -10.493 1.00 20.23 N ATOM 410 CA ARG A 29 -5.308 -14.923 -9.120 1.00 52.13 C ATOM 411 C ARG A 29 -3.951 -14.449 -8.609 1.00 10.31 C ATOM 412 O ARG A 29 -3.652 -14.558 -7.420 1.00 31.32 O ATOM 413 CB ARG A 29 -5.852 -16.025 -8.209 1.00 65.45 C ATOM 414 CG ARG A 29 -7.343 -16.271 -8.373 1.00 65.02 C ATOM 415 CD ARG A 29 -7.835 -17.356 -7.429 1.00 34.22 C ATOM 416 NE ARG A 29 -7.466 -18.692 -7.890 1.00 13.13 N ATOM 417 CZ ARG A 29 -7.761 -19.805 -7.227 1.00 65.25 C ATOM 418 NH1 ARG A 29 -8.425 -19.743 -6.082 1.00 21.12 N ATOM 419 NH2 ARG A 29 -7.390 -20.984 -7.711 1.00 74.05 N ATOM 0 H ARG A 29 -5.767 -14.881 -11.166 1.00 20.23 H new ATOM 0 HA ARG A 29 -5.997 -14.078 -9.107 1.00 52.13 H new ATOM 0 HB2 ARG A 29 -5.315 -16.951 -8.413 1.00 65.45 H new ATOM 0 HB3 ARG A 29 -5.648 -15.760 -7.171 1.00 65.45 H new ATOM 0 HG2 ARG A 29 -7.889 -15.347 -8.183 1.00 65.02 H new ATOM 0 HG3 ARG A 29 -7.554 -16.560 -9.403 1.00 65.02 H new ATOM 0 HD2 ARG A 29 -7.419 -17.188 -6.436 1.00 34.22 H new ATOM 0 HD3 ARG A 29 -8.919 -17.291 -7.336 1.00 34.22 H new ATOM 0 HE ARG A 29 -6.954 -18.775 -8.768 1.00 13.13 H new ATOM 0 HH11 ARG A 29 -8.711 -18.839 -5.707 1.00 21.12 H new ATOM 0 HH12 ARG A 29 -8.650 -20.600 -5.576 1.00 21.12 H new ATOM 0 HH21 ARG A 29 -6.878 -21.036 -8.592 1.00 74.05 H new ATOM 0 HH22 ARG A 29 -7.616 -21.838 -7.202 1.00 74.05 H new ATOM 433 N TRP A 30 -3.135 -13.923 -9.515 1.00 5.23 N ATOM 434 CA TRP A 30 -1.809 -13.432 -9.155 1.00 63.51 C ATOM 435 C TRP A 30 -1.345 -12.355 -10.129 1.00 5.35 C ATOM 436 O TRP A 30 -1.726 -12.356 -11.299 1.00 43.25 O ATOM 437 CB TRP A 30 -0.804 -14.586 -9.135 1.00 12.33 C ATOM 438 CG TRP A 30 -0.341 -14.994 -10.500 1.00 72.34 C ATOM 439 CD1 TRP A 30 0.323 -14.218 -11.407 1.00 74.10 C ATOM 440 CD2 TRP A 30 -0.509 -16.277 -11.114 1.00 52.11 C ATOM 441 NE1 TRP A 30 0.577 -14.941 -12.548 1.00 23.05 N ATOM 442 CE2 TRP A 30 0.078 -16.207 -12.393 1.00 31.13 C ATOM 443 CE3 TRP A 30 -1.096 -17.478 -10.707 1.00 55.14 C ATOM 444 CZ2 TRP A 30 0.092 -17.292 -13.265 1.00 62.01 C ATOM 445 CZ3 TRP A 30 -1.082 -18.554 -11.575 1.00 2.34 C ATOM 446 CH2 TRP A 30 -0.490 -18.456 -12.841 1.00 51.50 C ATOM 0 H TRP A 30 -3.367 -13.825 -10.503 1.00 5.23 H new ATOM 0 HA TRP A 30 -1.869 -12.994 -8.159 1.00 63.51 H new ATOM 0 HB2 TRP A 30 0.060 -14.295 -8.538 1.00 12.33 H new ATOM 0 HB3 TRP A 30 -1.258 -15.445 -8.641 1.00 12.33 H new ATOM 0 HD1 TRP A 30 0.607 -13.188 -11.251 1.00 74.10 H new ATOM 0 HE1 TRP A 30 1.059 -14.591 -13.376 1.00 23.05 H new ATOM 0 HE3 TRP A 30 -1.552 -17.564 -9.732 1.00 55.14 H new ATOM 0 HZ2 TRP A 30 0.546 -17.218 -14.242 1.00 62.01 H new ATOM 0 HZ3 TRP A 30 -1.535 -19.486 -11.272 1.00 2.34 H new ATOM 0 HH2 TRP A 30 -0.493 -19.315 -13.495 1.00 51.50 H new ATOM 457 N CYS A 31 -0.519 -11.436 -9.638 1.00 14.11 N ATOM 458 CA CYS A 31 -0.003 -10.352 -10.464 1.00 41.33 C ATOM 459 C CYS A 31 0.873 -10.895 -11.589 1.00 62.23 C ATOM 460 O CYS A 31 1.956 -11.428 -11.346 1.00 42.12 O ATOM 461 CB CYS A 31 0.798 -9.368 -9.609 1.00 40.33 C ATOM 462 SG CYS A 31 -0.111 -8.723 -8.168 1.00 75.34 S ATOM 0 H CYS A 31 -0.193 -11.421 -8.672 1.00 14.11 H new ATOM 0 HA CYS A 31 -0.852 -9.831 -10.907 1.00 41.33 H new ATOM 0 HB2 CYS A 31 1.706 -9.861 -9.261 1.00 40.33 H new ATOM 0 HB3 CYS A 31 1.109 -8.530 -10.233 1.00 40.33 H new ATOM 467 N LYS A 32 0.397 -10.757 -12.822 1.00 40.40 N ATOM 468 CA LYS A 32 1.136 -11.231 -13.986 1.00 73.30 C ATOM 469 C LYS A 32 1.762 -10.066 -14.745 1.00 70.14 C ATOM 470 O LYS A 32 1.229 -8.956 -14.747 1.00 23.33 O ATOM 471 CB LYS A 32 0.211 -12.021 -14.915 1.00 62.41 C ATOM 472 CG LYS A 32 -0.729 -11.146 -15.725 1.00 73.22 C ATOM 473 CD LYS A 32 -1.961 -11.916 -16.172 1.00 42.24 C ATOM 474 CE LYS A 32 -2.480 -11.409 -17.509 1.00 61.12 C ATOM 475 NZ LYS A 32 -1.714 -11.977 -18.653 1.00 60.30 N ATOM 0 H LYS A 32 -0.498 -10.320 -13.041 1.00 40.40 H new ATOM 0 HA LYS A 32 1.935 -11.885 -13.637 1.00 73.30 H new ATOM 0 HB2 LYS A 32 0.818 -12.617 -15.597 1.00 62.41 H new ATOM 0 HB3 LYS A 32 -0.378 -12.719 -14.320 1.00 62.41 H new ATOM 0 HG2 LYS A 32 -1.033 -10.286 -15.128 1.00 73.22 H new ATOM 0 HG3 LYS A 32 -0.205 -10.758 -16.598 1.00 73.22 H new ATOM 0 HD2 LYS A 32 -1.720 -12.976 -16.252 1.00 42.24 H new ATOM 0 HD3 LYS A 32 -2.743 -11.823 -15.418 1.00 42.24 H new ATOM 0 HE2 LYS A 32 -3.533 -11.670 -17.612 1.00 61.12 H new ATOM 0 HE3 LYS A 32 -2.417 -10.321 -17.534 1.00 61.12 H new ATOM 0 HZ1 LYS A 32 -2.098 -11.607 -19.546 1.00 60.30 H new ATOM 0 HZ2 LYS A 32 -0.713 -11.707 -18.569 1.00 60.30 H new ATOM 0 HZ3 LYS A 32 -1.795 -13.014 -18.644 1.00 60.30 H new ATOM 489 N TRP A 33 2.893 -10.326 -15.390 1.00 63.23 N ATOM 490 CA TRP A 33 3.591 -9.298 -16.155 1.00 32.41 C ATOM 491 C TRP A 33 3.061 -9.229 -17.583 1.00 0.21 C ATOM 492 O TRP A 33 3.280 -10.141 -18.380 1.00 12.32 O ATOM 493 CB TRP A 33 5.095 -9.576 -16.169 1.00 32.53 C ATOM 494 CG TRP A 33 5.928 -8.334 -16.264 1.00 74.12 C ATOM 495 CD1 TRP A 33 5.528 -7.113 -16.726 1.00 54.31 C ATOM 496 CD2 TRP A 33 7.303 -8.193 -15.891 1.00 34.33 C ATOM 497 NE1 TRP A 33 6.571 -6.221 -16.662 1.00 62.11 N ATOM 498 CE2 TRP A 33 7.671 -6.859 -16.152 1.00 71.14 C ATOM 499 CE3 TRP A 33 8.258 -9.064 -15.359 1.00 12.43 C ATOM 500 CZ2 TRP A 33 8.953 -6.378 -15.901 1.00 20.12 C ATOM 501 CZ3 TRP A 33 9.530 -8.585 -15.110 1.00 11.21 C ATOM 502 CH2 TRP A 33 9.868 -7.252 -15.380 1.00 62.11 C ATOM 0 H TRP A 33 3.347 -11.239 -15.399 1.00 63.23 H new ATOM 0 HA TRP A 33 3.411 -8.337 -15.673 1.00 32.41 H new ATOM 0 HB2 TRP A 33 5.365 -10.118 -15.263 1.00 32.53 H new ATOM 0 HB3 TRP A 33 5.329 -10.227 -17.011 1.00 32.53 H new ATOM 0 HD1 TRP A 33 4.537 -6.882 -17.089 1.00 54.31 H new ATOM 0 HE1 TRP A 33 6.533 -5.243 -16.948 1.00 62.11 H new ATOM 0 HE3 TRP A 33 8.006 -10.093 -15.146 1.00 12.43 H new ATOM 0 HZ2 TRP A 33 9.216 -5.352 -16.110 1.00 20.12 H new ATOM 0 HZ3 TRP A 33 10.277 -9.249 -14.700 1.00 11.21 H new ATOM 0 HH2 TRP A 33 10.870 -6.908 -15.173 1.00 62.11 H new ATOM 513 N GLN A 34 2.364 -8.142 -17.899 1.00 3.22 N ATOM 514 CA GLN A 34 1.804 -7.955 -19.232 1.00 35.23 C ATOM 515 C GLN A 34 2.713 -7.079 -20.087 1.00 14.10 C ATOM 516 O GLN A 34 3.330 -6.137 -19.589 1.00 51.32 O ATOM 517 CB GLN A 34 0.411 -7.328 -19.139 1.00 62.50 C ATOM 518 CG GLN A 34 -0.717 -8.310 -19.413 1.00 11.32 C ATOM 519 CD GLN A 34 -1.006 -8.469 -20.892 1.00 42.05 C ATOM 520 OE1 GLN A 34 -1.897 -7.816 -21.437 1.00 31.44 O ATOM 521 NE2 GLN A 34 -0.252 -9.340 -21.553 1.00 5.23 N ATOM 0 H GLN A 34 2.174 -7.378 -17.250 1.00 3.22 H new ATOM 0 HA GLN A 34 1.724 -8.933 -19.706 1.00 35.23 H new ATOM 0 HB2 GLN A 34 0.278 -6.903 -18.144 1.00 62.50 H new ATOM 0 HB3 GLN A 34 0.344 -6.504 -19.849 1.00 62.50 H new ATOM 0 HG2 GLN A 34 -0.459 -9.281 -18.991 1.00 11.32 H new ATOM 0 HG3 GLN A 34 -1.620 -7.971 -18.905 1.00 11.32 H new ATOM 0 HE21 GLN A 34 0.475 -9.860 -21.062 1.00 5.23 H new ATOM 0 HE22 GLN A 34 -0.400 -9.489 -22.551 1.00 5.23 H new ATOM 530 N ILE A 35 2.790 -7.396 -21.375 1.00 44.30 N ATOM 531 CA ILE A 35 3.624 -6.636 -22.299 1.00 33.41 C ATOM 532 C ILE A 35 3.101 -5.214 -22.468 1.00 44.31 C ATOM 533 O ILE A 35 3.875 -4.276 -22.664 1.00 32.13 O ATOM 534 CB ILE A 35 3.693 -7.313 -23.681 1.00 24.35 C ATOM 535 CG1 ILE A 35 4.610 -6.521 -24.615 1.00 61.21 C ATOM 536 CG2 ILE A 35 2.300 -7.441 -24.279 1.00 4.32 C ATOM 537 CD1 ILE A 35 6.019 -6.362 -24.088 1.00 11.03 C ATOM 0 H ILE A 35 2.286 -8.173 -21.802 1.00 44.30 H new ATOM 0 HA ILE A 35 4.625 -6.604 -21.868 1.00 33.41 H new ATOM 0 HB ILE A 35 4.107 -8.314 -23.559 1.00 24.35 H new ATOM 0 HG12 ILE A 35 4.647 -7.020 -25.583 1.00 61.21 H new ATOM 0 HG13 ILE A 35 4.180 -5.534 -24.782 1.00 61.21 H new ATOM 0 HG21 ILE A 35 2.366 -7.921 -25.255 1.00 4.32 H new ATOM 0 HG22 ILE A 35 1.675 -8.043 -23.620 1.00 4.32 H new ATOM 0 HG23 ILE A 35 1.860 -6.450 -24.391 1.00 4.32 H new ATOM 0 HD11 ILE A 35 6.612 -5.791 -24.802 1.00 11.03 H new ATOM 0 HD12 ILE A 35 5.993 -5.836 -23.134 1.00 11.03 H new ATOM 0 HD13 ILE A 35 6.468 -7.345 -23.948 1.00 11.03 H new TER 549 ILE A 35