USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 25 SER OG : rot 170:sc= 0 USER MOD Set 2.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.24 X(o=-1.2,f=-1) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.00389 X(o=0.0039,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 27 LYS NZ :NH3+ -153:sc= -0.135 (180deg=-1.09) USER MOD Single : A 28 THR OG1 : rot 108:sc= -0.155 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.067 0.124 -0.041 1.00 2.52 N ATOM 2 CA GLY A 1 1.895 0.025 -1.229 1.00 14.40 C ATOM 3 C GLY A 1 1.226 -0.763 -2.337 1.00 74.32 C ATOM 4 O GLY A 1 0.072 -0.506 -2.683 1.00 60.51 O ATOM 0 H1 GLY A 1 1.569 0.672 0.687 1.00 2.52 H new ATOM 0 H2 GLY A 1 0.174 0.601 -0.279 1.00 2.52 H new ATOM 0 H3 GLY A 1 0.864 -0.830 0.321 1.00 2.52 H new ATOM 0 HA2 GLY A 1 2.129 1.027 -1.590 1.00 14.40 H new ATOM 0 HA3 GLY A 1 2.841 -0.450 -0.970 1.00 14.40 H new ATOM 8 N CYS A 2 1.951 -1.726 -2.897 1.00 52.43 N ATOM 9 CA CYS A 2 1.422 -2.554 -3.975 1.00 3.54 C ATOM 10 C CYS A 2 1.945 -3.983 -3.868 1.00 62.25 C ATOM 11 O CYS A 2 2.885 -4.259 -3.121 1.00 14.30 O ATOM 12 CB CYS A 2 1.799 -1.960 -5.334 1.00 24.53 C ATOM 13 SG CYS A 2 3.585 -1.670 -5.549 1.00 11.25 S ATOM 0 H CYS A 2 2.907 -1.952 -2.622 1.00 52.43 H new ATOM 0 HA CYS A 2 0.336 -2.576 -3.885 1.00 3.54 H new ATOM 0 HB2 CYS A 2 1.453 -2.631 -6.120 1.00 24.53 H new ATOM 0 HB3 CYS A 2 1.270 -1.016 -5.465 1.00 24.53 H new ATOM 18 N LEU A 3 1.331 -4.889 -4.621 1.00 71.13 N ATOM 19 CA LEU A 3 1.734 -6.291 -4.613 1.00 73.10 C ATOM 20 C LEU A 3 2.765 -6.568 -5.703 1.00 14.14 C ATOM 21 O LEU A 3 2.525 -6.302 -6.880 1.00 22.42 O ATOM 22 CB LEU A 3 0.514 -7.194 -4.808 1.00 2.24 C ATOM 23 CG LEU A 3 -0.635 -6.993 -3.819 1.00 5.53 C ATOM 24 CD1 LEU A 3 -1.942 -7.498 -4.409 1.00 23.53 C ATOM 25 CD2 LEU A 3 -0.334 -7.695 -2.502 1.00 52.44 C ATOM 0 H LEU A 3 0.552 -4.678 -5.245 1.00 71.13 H new ATOM 0 HA LEU A 3 2.188 -6.507 -3.646 1.00 73.10 H new ATOM 0 HB2 LEU A 3 0.130 -7.039 -5.816 1.00 2.24 H new ATOM 0 HB3 LEU A 3 0.842 -8.232 -4.747 1.00 2.24 H new ATOM 0 HG LEU A 3 -0.738 -5.926 -3.623 1.00 5.53 H new ATOM 0 HD11 LEU A 3 -2.748 -7.347 -3.691 1.00 23.53 H new ATOM 0 HD12 LEU A 3 -2.164 -6.950 -5.324 1.00 23.53 H new ATOM 0 HD13 LEU A 3 -1.853 -8.560 -4.635 1.00 23.53 H new ATOM 0 HD21 LEU A 3 -1.162 -7.541 -1.810 1.00 52.44 H new ATOM 0 HD22 LEU A 3 -0.203 -8.762 -2.680 1.00 52.44 H new ATOM 0 HD23 LEU A 3 0.579 -7.285 -2.071 1.00 52.44 H new ATOM 37 N GLY A 4 3.913 -7.106 -5.301 1.00 54.35 N ATOM 38 CA GLY A 4 4.962 -7.412 -6.256 1.00 40.20 C ATOM 39 C GLY A 4 4.500 -8.367 -7.339 1.00 4.03 C ATOM 40 O GLY A 4 3.323 -8.720 -7.403 1.00 35.43 O ATOM 0 H GLY A 4 4.135 -7.335 -4.332 1.00 54.35 H new ATOM 0 HA2 GLY A 4 5.311 -6.488 -6.716 1.00 40.20 H new ATOM 0 HA3 GLY A 4 5.812 -7.847 -5.730 1.00 40.20 H new ATOM 44 N ILE A 5 5.429 -8.784 -8.193 1.00 30.35 N ATOM 45 CA ILE A 5 5.110 -9.704 -9.278 1.00 2.42 C ATOM 46 C ILE A 5 4.970 -11.133 -8.765 1.00 5.24 C ATOM 47 O ILE A 5 5.653 -11.535 -7.822 1.00 50.10 O ATOM 48 CB ILE A 5 6.186 -9.669 -10.379 1.00 51.45 C ATOM 49 CG1 ILE A 5 5.787 -10.580 -11.542 1.00 33.55 C ATOM 50 CG2 ILE A 5 7.536 -10.082 -9.814 1.00 65.23 C ATOM 51 CD1 ILE A 5 6.652 -10.408 -12.770 1.00 42.40 C ATOM 0 H ILE A 5 6.408 -8.500 -8.155 1.00 30.35 H new ATOM 0 HA ILE A 5 4.159 -9.378 -9.699 1.00 2.42 H new ATOM 0 HB ILE A 5 6.268 -8.649 -10.754 1.00 51.45 H new ATOM 0 HG12 ILE A 5 5.839 -11.618 -11.214 1.00 33.55 H new ATOM 0 HG13 ILE A 5 4.749 -10.382 -11.808 1.00 33.55 H new ATOM 0 HG21 ILE A 5 8.286 -10.052 -10.605 1.00 65.23 H new ATOM 0 HG22 ILE A 5 7.822 -9.396 -9.017 1.00 65.23 H new ATOM 0 HG23 ILE A 5 7.469 -11.094 -9.415 1.00 65.23 H new ATOM 0 HD11 ILE A 5 6.311 -11.085 -13.553 1.00 42.40 H new ATOM 0 HD12 ILE A 5 6.581 -9.379 -13.124 1.00 42.40 H new ATOM 0 HD13 ILE A 5 7.688 -10.635 -12.520 1.00 42.40 H new ATOM 63 N PHE A 6 4.083 -11.897 -9.392 1.00 54.21 N ATOM 64 CA PHE A 6 3.853 -13.282 -9.000 1.00 25.53 C ATOM 65 C PHE A 6 3.445 -13.372 -7.532 1.00 54.23 C ATOM 66 O PHE A 6 3.930 -14.227 -6.791 1.00 42.42 O ATOM 67 CB PHE A 6 5.112 -14.118 -9.242 1.00 22.11 C ATOM 68 CG PHE A 6 5.359 -14.424 -10.692 1.00 33.35 C ATOM 69 CD1 PHE A 6 4.351 -14.950 -11.483 1.00 74.33 C ATOM 70 CD2 PHE A 6 6.599 -14.187 -11.262 1.00 53.32 C ATOM 71 CE1 PHE A 6 4.574 -15.233 -12.818 1.00 0.12 C ATOM 72 CE2 PHE A 6 6.828 -14.467 -12.596 1.00 52.11 C ATOM 73 CZ PHE A 6 5.815 -14.992 -13.375 1.00 13.35 C ATOM 0 H PHE A 6 3.511 -11.580 -10.175 1.00 54.21 H new ATOM 0 HA PHE A 6 3.040 -13.675 -9.610 1.00 25.53 H new ATOM 0 HB2 PHE A 6 5.974 -13.587 -8.839 1.00 22.11 H new ATOM 0 HB3 PHE A 6 5.028 -15.054 -8.690 1.00 22.11 H new ATOM 0 HD1 PHE A 6 3.379 -15.141 -11.052 1.00 74.33 H new ATOM 0 HD2 PHE A 6 7.396 -13.779 -10.657 1.00 53.32 H new ATOM 0 HE1 PHE A 6 3.779 -15.642 -13.424 1.00 0.12 H new ATOM 0 HE2 PHE A 6 7.799 -14.275 -13.029 1.00 52.11 H new ATOM 0 HZ PHE A 6 5.993 -15.213 -14.417 1.00 13.35 H new ATOM 83 N LYS A 7 2.548 -12.482 -7.119 1.00 25.10 N ATOM 84 CA LYS A 7 2.072 -12.459 -5.741 1.00 41.21 C ATOM 85 C LYS A 7 0.566 -12.694 -5.682 1.00 22.20 C ATOM 86 O LYS A 7 -0.205 -12.014 -6.358 1.00 2.42 O ATOM 87 CB LYS A 7 2.416 -11.120 -5.084 1.00 30.34 C ATOM 88 CG LYS A 7 3.903 -10.923 -4.848 1.00 4.13 C ATOM 89 CD LYS A 7 4.411 -11.806 -3.720 1.00 2.40 C ATOM 90 CE LYS A 7 5.876 -11.532 -3.414 1.00 52.13 C ATOM 91 NZ LYS A 7 6.778 -12.151 -4.424 1.00 23.41 N ATOM 0 H LYS A 7 2.136 -11.767 -7.719 1.00 25.10 H new ATOM 0 HA LYS A 7 2.569 -13.262 -5.197 1.00 41.21 H new ATOM 0 HB2 LYS A 7 2.046 -10.310 -5.713 1.00 30.34 H new ATOM 0 HB3 LYS A 7 1.893 -11.047 -4.131 1.00 30.34 H new ATOM 0 HG2 LYS A 7 4.451 -11.149 -5.763 1.00 4.13 H new ATOM 0 HG3 LYS A 7 4.099 -9.878 -4.609 1.00 4.13 H new ATOM 0 HD2 LYS A 7 3.813 -11.635 -2.825 1.00 2.40 H new ATOM 0 HD3 LYS A 7 4.285 -12.854 -3.992 1.00 2.40 H new ATOM 0 HE2 LYS A 7 6.046 -10.456 -3.386 1.00 52.13 H new ATOM 0 HE3 LYS A 7 6.119 -11.919 -2.424 1.00 52.13 H new ATOM 0 HZ1 LYS A 7 7.767 -11.942 -4.181 1.00 23.41 H new ATOM 0 HZ2 LYS A 7 6.634 -13.181 -4.433 1.00 23.41 H new ATOM 0 HZ3 LYS A 7 6.564 -11.763 -5.365 1.00 23.41 H new ATOM 105 N ALA A 8 0.155 -13.661 -4.869 1.00 35.15 N ATOM 106 CA ALA A 8 -1.259 -13.983 -4.719 1.00 31.32 C ATOM 107 C ALA A 8 -2.078 -12.733 -4.414 1.00 23.43 C ATOM 108 O ALA A 8 -1.606 -11.820 -3.735 1.00 34.41 O ATOM 109 CB ALA A 8 -1.451 -15.022 -3.624 1.00 24.21 C ATOM 0 H ALA A 8 0.781 -14.235 -4.304 1.00 35.15 H new ATOM 0 HA ALA A 8 -1.614 -14.396 -5.663 1.00 31.32 H new ATOM 0 HB1 ALA A 8 -2.512 -15.253 -3.523 1.00 24.21 H new ATOM 0 HB2 ALA A 8 -0.905 -15.929 -3.884 1.00 24.21 H new ATOM 0 HB3 ALA A 8 -1.074 -14.629 -2.680 1.00 24.21 H new ATOM 115 N CYS A 9 -3.306 -12.698 -4.920 1.00 2.11 N ATOM 116 CA CYS A 9 -4.190 -11.560 -4.703 1.00 13.41 C ATOM 117 C CYS A 9 -5.579 -11.833 -5.274 1.00 21.15 C ATOM 118 O CYS A 9 -5.848 -12.919 -5.785 1.00 30.22 O ATOM 119 CB CYS A 9 -3.602 -10.301 -5.344 1.00 15.23 C ATOM 120 SG CYS A 9 -3.023 -10.539 -7.054 1.00 53.54 S ATOM 0 H CYS A 9 -3.711 -13.445 -5.483 1.00 2.11 H new ATOM 0 HA CYS A 9 -4.282 -11.404 -3.628 1.00 13.41 H new ATOM 0 HB2 CYS A 9 -4.357 -9.514 -5.333 1.00 15.23 H new ATOM 0 HB3 CYS A 9 -2.768 -9.951 -4.735 1.00 15.23 H new ATOM 125 N ASN A 10 -6.457 -10.839 -5.182 1.00 24.21 N ATOM 126 CA ASN A 10 -7.818 -10.972 -5.689 1.00 23.34 C ATOM 127 C ASN A 10 -8.102 -9.929 -6.765 1.00 1.13 C ATOM 128 O ASN A 10 -7.713 -8.766 -6.655 1.00 51.10 O ATOM 129 CB ASN A 10 -8.825 -10.831 -4.546 1.00 55.41 C ATOM 130 CG ASN A 10 -8.369 -9.840 -3.492 1.00 54.04 C ATOM 131 OD1 ASN A 10 -7.448 -10.115 -2.724 1.00 4.51 O ATOM 132 ND2 ASN A 10 -9.015 -8.680 -3.452 1.00 32.31 N ATOM 0 H ASN A 10 -6.250 -9.933 -4.761 1.00 24.21 H new ATOM 0 HA ASN A 10 -7.919 -11.962 -6.133 1.00 23.34 H new ATOM 0 HB2 ASN A 10 -9.786 -10.512 -4.949 1.00 55.41 H new ATOM 0 HB3 ASN A 10 -8.982 -11.805 -4.082 1.00 55.41 H new ATOM 0 HD21 ASN A 10 -8.753 -7.974 -2.764 1.00 32.31 H new ATOM 0 HD22 ASN A 10 -9.773 -8.495 -4.109 1.00 32.31 H new ATOM 139 N PRO A 11 -8.797 -10.353 -7.831 1.00 12.44 N ATOM 140 CA PRO A 11 -9.150 -9.471 -8.947 1.00 14.40 C ATOM 141 C PRO A 11 -10.195 -8.431 -8.556 1.00 41.31 C ATOM 142 O PRO A 11 -10.250 -7.345 -9.133 1.00 40.14 O ATOM 143 CB PRO A 11 -9.719 -10.433 -9.993 1.00 40.30 C ATOM 144 CG PRO A 11 -10.217 -11.596 -9.207 1.00 11.13 C ATOM 145 CD PRO A 11 -9.293 -11.725 -8.028 1.00 24.21 C ATOM 0 HA PRO A 11 -8.294 -8.895 -9.298 1.00 14.40 H new ATOM 0 HB2 PRO A 11 -10.523 -9.967 -10.563 1.00 40.30 H new ATOM 0 HB3 PRO A 11 -8.955 -10.737 -10.709 1.00 40.30 H new ATOM 0 HG2 PRO A 11 -11.245 -11.436 -8.882 1.00 11.13 H new ATOM 0 HG3 PRO A 11 -10.211 -12.505 -9.809 1.00 11.13 H new ATOM 0 HD2 PRO A 11 -9.816 -12.093 -7.146 1.00 24.21 H new ATOM 0 HD3 PRO A 11 -8.479 -12.421 -8.230 1.00 24.21 H new ATOM 153 N SER A 12 -11.022 -8.770 -7.572 1.00 43.11 N ATOM 154 CA SER A 12 -12.067 -7.866 -7.106 1.00 71.24 C ATOM 155 C SER A 12 -11.463 -6.597 -6.513 1.00 33.24 C ATOM 156 O SER A 12 -12.062 -5.524 -6.574 1.00 33.41 O ATOM 157 CB SER A 12 -12.946 -8.562 -6.065 1.00 64.31 C ATOM 158 OG SER A 12 -13.413 -9.811 -6.545 1.00 22.22 O ATOM 0 H SER A 12 -10.989 -9.664 -7.082 1.00 43.11 H new ATOM 0 HA SER A 12 -12.682 -7.588 -7.962 1.00 71.24 H new ATOM 0 HB2 SER A 12 -12.379 -8.711 -5.146 1.00 64.31 H new ATOM 0 HB3 SER A 12 -13.794 -7.924 -5.816 1.00 64.31 H new ATOM 0 HG SER A 12 -13.971 -10.237 -5.861 1.00 22.22 H new ATOM 164 N ASN A 13 -10.272 -6.729 -5.938 1.00 34.15 N ATOM 165 CA ASN A 13 -9.586 -5.594 -5.331 1.00 53.34 C ATOM 166 C ASN A 13 -8.109 -5.584 -5.713 1.00 53.33 C ATOM 167 O ASN A 13 -7.240 -5.383 -4.865 1.00 64.41 O ATOM 168 CB ASN A 13 -9.731 -5.638 -3.809 1.00 2.51 C ATOM 169 CG ASN A 13 -9.763 -4.253 -3.191 1.00 55.12 C ATOM 170 OD1 ASN A 13 -10.814 -3.613 -3.129 1.00 64.42 O ATOM 171 ND2 ASN A 13 -8.610 -3.783 -2.731 1.00 22.33 N ATOM 0 H ASN A 13 -9.762 -7.610 -5.880 1.00 34.15 H new ATOM 0 HA ASN A 13 -10.046 -4.680 -5.706 1.00 53.34 H new ATOM 0 HB2 ASN A 13 -10.646 -6.170 -3.549 1.00 2.51 H new ATOM 0 HB3 ASN A 13 -8.902 -6.204 -3.384 1.00 2.51 H new ATOM 0 HD21 ASN A 13 -8.570 -2.857 -2.305 1.00 22.33 H new ATOM 0 HD22 ASN A 13 -7.764 -4.348 -2.803 1.00 22.33 H new ATOM 178 N ASP A 14 -7.834 -5.800 -6.995 1.00 22.34 N ATOM 179 CA ASP A 14 -6.462 -5.815 -7.490 1.00 12.50 C ATOM 180 C ASP A 14 -5.706 -4.572 -7.031 1.00 42.32 C ATOM 181 O ASP A 14 -6.204 -3.453 -7.148 1.00 14.34 O ATOM 182 CB ASP A 14 -6.450 -5.900 -9.017 1.00 42.40 C ATOM 183 CG ASP A 14 -5.127 -5.458 -9.611 1.00 25.23 C ATOM 184 OD1 ASP A 14 -4.074 -5.790 -9.026 1.00 73.43 O ATOM 185 OD2 ASP A 14 -5.143 -4.780 -10.659 1.00 51.24 O ATOM 0 H ASP A 14 -8.542 -5.967 -7.710 1.00 22.34 H new ATOM 0 HA ASP A 14 -5.963 -6.693 -7.081 1.00 12.50 H new ATOM 0 HB2 ASP A 14 -6.658 -6.925 -9.323 1.00 42.40 H new ATOM 0 HB3 ASP A 14 -7.251 -5.279 -9.419 1.00 42.40 H new ATOM 190 N GLN A 15 -4.501 -4.778 -6.509 1.00 50.41 N ATOM 191 CA GLN A 15 -3.677 -3.673 -6.031 1.00 73.42 C ATOM 192 C GLN A 15 -2.201 -3.937 -6.307 1.00 4.11 C ATOM 193 O GLN A 15 -1.334 -3.557 -5.519 1.00 43.45 O ATOM 194 CB GLN A 15 -3.898 -3.456 -4.533 1.00 62.02 C ATOM 195 CG GLN A 15 -5.212 -2.767 -4.205 1.00 53.55 C ATOM 196 CD GLN A 15 -5.126 -1.907 -2.959 1.00 70.54 C ATOM 197 OE1 GLN A 15 -4.774 -2.389 -1.882 1.00 61.43 O ATOM 198 NE2 GLN A 15 -5.448 -0.627 -3.100 1.00 3.25 N ATOM 0 H GLN A 15 -4.074 -5.698 -6.406 1.00 50.41 H new ATOM 0 HA GLN A 15 -3.973 -2.772 -6.569 1.00 73.42 H new ATOM 0 HB2 GLN A 15 -3.867 -4.421 -4.026 1.00 62.02 H new ATOM 0 HB3 GLN A 15 -3.076 -2.860 -4.136 1.00 62.02 H new ATOM 0 HG2 GLN A 15 -5.513 -2.147 -5.049 1.00 53.55 H new ATOM 0 HG3 GLN A 15 -5.988 -3.520 -4.069 1.00 53.55 H new ATOM 0 HE21 GLN A 15 -5.734 -0.271 -4.012 1.00 3.25 H new ATOM 0 HE22 GLN A 15 -5.409 0.000 -2.297 1.00 3.25 H new ATOM 207 N CYS A 16 -1.921 -4.591 -7.430 1.00 1.55 N ATOM 208 CA CYS A 16 -0.549 -4.906 -7.810 1.00 33.23 C ATOM 209 C CYS A 16 0.242 -3.634 -8.099 1.00 14.41 C ATOM 210 O CYS A 16 -0.318 -2.538 -8.141 1.00 51.43 O ATOM 211 CB CYS A 16 -0.535 -5.819 -9.038 1.00 15.42 C ATOM 212 SG CYS A 16 -1.433 -7.387 -8.809 1.00 24.43 S ATOM 0 H CYS A 16 -2.626 -4.913 -8.093 1.00 1.55 H new ATOM 0 HA CYS A 16 -0.077 -5.424 -6.975 1.00 33.23 H new ATOM 0 HB2 CYS A 16 -0.971 -5.283 -9.881 1.00 15.42 H new ATOM 0 HB3 CYS A 16 0.499 -6.040 -9.301 1.00 15.42 H new ATOM 217 N CYS A 17 1.546 -3.787 -8.297 1.00 65.05 N ATOM 218 CA CYS A 17 2.416 -2.652 -8.583 1.00 13.14 C ATOM 219 C CYS A 17 2.268 -2.205 -10.034 1.00 42.12 C ATOM 220 O CYS A 17 3.018 -2.640 -10.909 1.00 14.51 O ATOM 221 CB CYS A 17 3.874 -3.015 -8.295 1.00 10.41 C ATOM 222 SG CYS A 17 4.236 -3.297 -6.532 1.00 1.40 S ATOM 0 H CYS A 17 2.025 -4.687 -8.265 1.00 65.05 H new ATOM 0 HA CYS A 17 2.120 -1.827 -7.936 1.00 13.14 H new ATOM 0 HB2 CYS A 17 4.131 -3.914 -8.856 1.00 10.41 H new ATOM 0 HB3 CYS A 17 4.516 -2.215 -8.663 1.00 10.41 H new ATOM 227 N LYS A 18 1.297 -1.333 -10.283 1.00 33.20 N ATOM 228 CA LYS A 18 1.050 -0.825 -11.627 1.00 41.21 C ATOM 229 C LYS A 18 2.336 -0.293 -12.252 1.00 12.41 C ATOM 230 O LYS A 18 2.527 -0.373 -13.465 1.00 61.22 O ATOM 231 CB LYS A 18 -0.007 0.281 -11.590 1.00 73.03 C ATOM 232 CG LYS A 18 -1.347 -0.177 -11.040 1.00 50.31 C ATOM 233 CD LYS A 18 -2.253 -0.701 -12.142 1.00 4.11 C ATOM 234 CE LYS A 18 -2.935 0.434 -12.890 1.00 10.22 C ATOM 235 NZ LYS A 18 -3.807 -0.070 -13.987 1.00 2.40 N ATOM 0 H LYS A 18 0.668 -0.963 -9.571 1.00 33.20 H new ATOM 0 HA LYS A 18 0.683 -1.649 -12.239 1.00 41.21 H new ATOM 0 HB2 LYS A 18 0.363 1.106 -10.981 1.00 73.03 H new ATOM 0 HB3 LYS A 18 -0.151 0.669 -12.599 1.00 73.03 H new ATOM 0 HG2 LYS A 18 -1.188 -0.958 -10.296 1.00 50.31 H new ATOM 0 HG3 LYS A 18 -1.835 0.654 -10.531 1.00 50.31 H new ATOM 0 HD2 LYS A 18 -1.669 -1.299 -12.841 1.00 4.11 H new ATOM 0 HD3 LYS A 18 -3.007 -1.360 -11.712 1.00 4.11 H new ATOM 0 HE2 LYS A 18 -3.532 1.022 -12.193 1.00 10.22 H new ATOM 0 HE3 LYS A 18 -2.180 1.102 -13.304 1.00 10.22 H new ATOM 0 HZ1 LYS A 18 -4.254 0.734 -14.473 1.00 2.40 H new ATOM 0 HZ2 LYS A 18 -3.233 -0.610 -14.666 1.00 2.40 H new ATOM 0 HZ3 LYS A 18 -4.544 -0.687 -13.589 1.00 2.40 H new ATOM 249 N SER A 19 3.215 0.250 -11.415 1.00 74.12 N ATOM 250 CA SER A 19 4.481 0.797 -11.886 1.00 44.33 C ATOM 251 C SER A 19 5.251 -0.238 -12.701 1.00 1.02 C ATOM 252 O SER A 19 5.923 0.098 -13.676 1.00 70.11 O ATOM 253 CB SER A 19 5.330 1.266 -10.703 1.00 25.41 C ATOM 254 OG SER A 19 4.980 2.582 -10.314 1.00 4.53 O ATOM 0 H SER A 19 3.073 0.322 -10.408 1.00 74.12 H new ATOM 0 HA SER A 19 4.263 1.650 -12.528 1.00 44.33 H new ATOM 0 HB2 SER A 19 5.194 0.586 -9.862 1.00 25.41 H new ATOM 0 HB3 SER A 19 6.386 1.232 -10.973 1.00 25.41 H new ATOM 0 HG SER A 19 5.536 2.858 -9.555 1.00 4.53 H new ATOM 260 N SER A 20 5.148 -1.499 -12.293 1.00 13.22 N ATOM 261 CA SER A 20 5.837 -2.584 -12.981 1.00 74.04 C ATOM 262 C SER A 20 4.892 -3.307 -13.937 1.00 22.33 C ATOM 263 O SER A 20 5.122 -4.461 -14.301 1.00 54.31 O ATOM 264 CB SER A 20 6.413 -3.575 -11.968 1.00 55.10 C ATOM 265 OG SER A 20 7.755 -3.255 -11.648 1.00 43.41 O ATOM 0 H SER A 20 4.594 -1.794 -11.489 1.00 13.22 H new ATOM 0 HA SER A 20 6.653 -2.153 -13.561 1.00 74.04 H new ATOM 0 HB2 SER A 20 5.808 -3.566 -11.062 1.00 55.10 H new ATOM 0 HB3 SER A 20 6.364 -4.585 -12.374 1.00 55.10 H new ATOM 0 HG SER A 20 8.099 -3.902 -10.998 1.00 43.41 H new ATOM 271 N LYS A 21 3.828 -2.621 -14.339 1.00 41.23 N ATOM 272 CA LYS A 21 2.848 -3.195 -15.253 1.00 53.43 C ATOM 273 C LYS A 21 2.394 -4.569 -14.772 1.00 20.03 C ATOM 274 O LYS A 21 2.564 -5.570 -15.469 1.00 43.13 O ATOM 275 CB LYS A 21 3.436 -3.304 -16.662 1.00 20.53 C ATOM 276 CG LYS A 21 2.403 -3.157 -17.766 1.00 2.44 C ATOM 277 CD LYS A 21 1.620 -4.442 -17.973 1.00 24.33 C ATOM 278 CE LYS A 21 0.379 -4.487 -17.094 1.00 45.13 C ATOM 279 NZ LYS A 21 -0.864 -4.249 -17.878 1.00 60.04 N ATOM 0 H LYS A 21 3.622 -1.666 -14.046 1.00 41.23 H new ATOM 0 HA LYS A 21 1.981 -2.534 -15.278 1.00 53.43 H new ATOM 0 HB2 LYS A 21 4.201 -2.538 -16.788 1.00 20.53 H new ATOM 0 HB3 LYS A 21 3.932 -4.269 -16.766 1.00 20.53 H new ATOM 0 HG2 LYS A 21 1.716 -2.348 -17.517 1.00 2.44 H new ATOM 0 HG3 LYS A 21 2.900 -2.879 -18.696 1.00 2.44 H new ATOM 0 HD2 LYS A 21 1.329 -4.527 -19.020 1.00 24.33 H new ATOM 0 HD3 LYS A 21 2.257 -5.298 -17.749 1.00 24.33 H new ATOM 0 HE2 LYS A 21 0.318 -5.457 -16.602 1.00 45.13 H new ATOM 0 HE3 LYS A 21 0.463 -3.736 -16.309 1.00 45.13 H new ATOM 0 HZ1 LYS A 21 -1.687 -4.288 -17.244 1.00 60.04 H new ATOM 0 HZ2 LYS A 21 -0.817 -3.312 -18.328 1.00 60.04 H new ATOM 0 HZ3 LYS A 21 -0.957 -4.981 -18.611 1.00 60.04 H new ATOM 293 N LEU A 22 1.815 -4.611 -13.577 1.00 1.31 N ATOM 294 CA LEU A 22 1.335 -5.863 -13.003 1.00 0.14 C ATOM 295 C LEU A 22 -0.148 -5.770 -12.657 1.00 24.24 C ATOM 296 O LEU A 22 -0.611 -4.759 -12.128 1.00 64.21 O ATOM 297 CB LEU A 22 2.141 -6.215 -11.751 1.00 64.24 C ATOM 298 CG LEU A 22 3.655 -6.329 -11.938 1.00 53.01 C ATOM 299 CD1 LEU A 22 4.385 -5.813 -10.708 1.00 13.12 C ATOM 300 CD2 LEU A 22 4.049 -7.769 -12.230 1.00 24.55 C ATOM 0 H LEU A 22 1.667 -3.792 -12.987 1.00 1.31 H new ATOM 0 HA LEU A 22 1.468 -6.649 -13.746 1.00 0.14 H new ATOM 0 HB2 LEU A 22 1.945 -5.458 -10.992 1.00 64.24 H new ATOM 0 HB3 LEU A 22 1.771 -7.162 -11.359 1.00 64.24 H new ATOM 0 HG LEU A 22 3.944 -5.715 -12.791 1.00 53.01 H new ATOM 0 HD11 LEU A 22 5.461 -5.902 -10.859 1.00 13.12 H new ATOM 0 HD12 LEU A 22 4.127 -4.767 -10.544 1.00 13.12 H new ATOM 0 HD13 LEU A 22 4.091 -6.400 -9.838 1.00 13.12 H new ATOM 0 HD21 LEU A 22 5.129 -7.831 -12.360 1.00 24.55 H new ATOM 0 HD22 LEU A 22 3.746 -8.405 -11.398 1.00 24.55 H new ATOM 0 HD23 LEU A 22 3.554 -8.104 -13.141 1.00 24.55 H new ATOM 312 N VAL A 23 -0.888 -6.833 -12.956 1.00 43.03 N ATOM 313 CA VAL A 23 -2.318 -6.873 -12.674 1.00 65.20 C ATOM 314 C VAL A 23 -2.744 -8.256 -12.193 1.00 10.51 C ATOM 315 O VAL A 23 -2.277 -9.274 -12.703 1.00 72.25 O ATOM 316 CB VAL A 23 -3.146 -6.496 -13.917 1.00 23.13 C ATOM 317 CG1 VAL A 23 -4.634 -6.582 -13.613 1.00 63.42 C ATOM 318 CG2 VAL A 23 -2.772 -5.104 -14.403 1.00 13.11 C ATOM 0 H VAL A 23 -0.521 -7.678 -13.394 1.00 43.03 H new ATOM 0 HA VAL A 23 -2.506 -6.143 -11.887 1.00 65.20 H new ATOM 0 HB VAL A 23 -2.921 -7.206 -14.712 1.00 23.13 H new ATOM 0 HG11 VAL A 23 -5.203 -6.312 -14.503 1.00 63.42 H new ATOM 0 HG12 VAL A 23 -4.886 -7.600 -13.315 1.00 63.42 H new ATOM 0 HG13 VAL A 23 -4.880 -5.896 -12.803 1.00 63.42 H new ATOM 0 HG21 VAL A 23 -3.366 -4.854 -15.282 1.00 13.11 H new ATOM 0 HG22 VAL A 23 -2.968 -4.378 -13.614 1.00 13.11 H new ATOM 0 HG23 VAL A 23 -1.714 -5.081 -14.662 1.00 13.11 H new ATOM 328 N CYS A 24 -3.635 -8.284 -11.207 1.00 64.01 N ATOM 329 CA CYS A 24 -4.126 -9.541 -10.656 1.00 25.05 C ATOM 330 C CYS A 24 -5.146 -10.184 -11.591 1.00 1.33 C ATOM 331 O CYS A 24 -6.233 -9.647 -11.803 1.00 33.12 O ATOM 332 CB CYS A 24 -4.754 -9.308 -9.280 1.00 42.21 C ATOM 333 SG CYS A 24 -4.674 -10.751 -8.172 1.00 33.51 S ATOM 0 H CYS A 24 -4.031 -7.450 -10.773 1.00 64.01 H new ATOM 0 HA CYS A 24 -3.279 -10.218 -10.551 1.00 25.05 H new ATOM 0 HB2 CYS A 24 -4.252 -8.467 -8.801 1.00 42.21 H new ATOM 0 HB3 CYS A 24 -5.798 -9.023 -9.412 1.00 42.21 H new ATOM 338 N SER A 25 -4.787 -11.336 -12.147 1.00 20.32 N ATOM 339 CA SER A 25 -5.669 -12.051 -13.062 1.00 11.10 C ATOM 340 C SER A 25 -6.764 -12.788 -12.297 1.00 23.44 C ATOM 341 O SER A 25 -6.562 -13.213 -11.159 1.00 33.41 O ATOM 342 CB SER A 25 -4.867 -13.041 -13.908 1.00 61.41 C ATOM 343 OG SER A 25 -5.437 -13.190 -15.197 1.00 1.20 O ATOM 0 H SER A 25 -3.891 -11.795 -11.980 1.00 20.32 H new ATOM 0 HA SER A 25 -6.139 -11.320 -13.720 1.00 11.10 H new ATOM 0 HB2 SER A 25 -3.838 -12.695 -14.000 1.00 61.41 H new ATOM 0 HB3 SER A 25 -4.834 -14.009 -13.407 1.00 61.41 H new ATOM 0 HG SER A 25 -4.824 -13.697 -15.769 1.00 1.20 H new ATOM 349 N ARG A 26 -7.923 -12.936 -12.930 1.00 22.12 N ATOM 350 CA ARG A 26 -9.051 -13.621 -12.309 1.00 45.32 C ATOM 351 C ARG A 26 -8.863 -15.134 -12.361 1.00 20.22 C ATOM 352 O ARG A 26 -9.377 -15.864 -11.513 1.00 14.10 O ATOM 353 CB ARG A 26 -10.356 -13.234 -13.007 1.00 0.24 C ATOM 354 CG ARG A 26 -10.482 -11.744 -13.280 1.00 50.00 C ATOM 355 CD ARG A 26 -11.937 -11.323 -13.413 1.00 33.23 C ATOM 356 NE ARG A 26 -12.602 -11.994 -14.527 1.00 23.12 N ATOM 357 CZ ARG A 26 -13.810 -11.663 -14.969 1.00 45.34 C ATOM 358 NH1 ARG A 26 -14.481 -10.674 -14.396 1.00 12.04 N ATOM 359 NH2 ARG A 26 -14.348 -12.320 -15.989 1.00 24.45 N ATOM 0 H ARG A 26 -8.106 -12.591 -13.872 1.00 22.12 H new ATOM 0 HA ARG A 26 -9.101 -13.314 -11.264 1.00 45.32 H new ATOM 0 HB2 ARG A 26 -10.428 -13.775 -13.951 1.00 0.24 H new ATOM 0 HB3 ARG A 26 -11.196 -13.554 -12.391 1.00 0.24 H new ATOM 0 HG2 ARG A 26 -10.013 -11.184 -12.471 1.00 50.00 H new ATOM 0 HG3 ARG A 26 -9.945 -11.494 -14.195 1.00 50.00 H new ATOM 0 HD2 ARG A 26 -12.466 -11.548 -12.487 1.00 33.23 H new ATOM 0 HD3 ARG A 26 -11.990 -10.244 -13.556 1.00 33.23 H new ATOM 0 HE ARG A 26 -12.112 -12.759 -14.991 1.00 23.12 H new ATOM 0 HH11 ARG A 26 -14.070 -10.165 -13.614 1.00 12.04 H new ATOM 0 HH12 ARG A 26 -15.408 -10.422 -14.738 1.00 12.04 H new ATOM 0 HH21 ARG A 26 -13.834 -13.080 -16.434 1.00 24.45 H new ATOM 0 HH22 ARG A 26 -15.276 -12.065 -16.328 1.00 24.45 H new ATOM 373 N LYS A 27 -8.123 -15.600 -13.362 1.00 14.33 N ATOM 374 CA LYS A 27 -7.866 -17.026 -13.525 1.00 14.41 C ATOM 375 C LYS A 27 -6.601 -17.439 -12.780 1.00 34.32 C ATOM 376 O LYS A 27 -6.549 -18.507 -12.169 1.00 21.33 O ATOM 377 CB LYS A 27 -7.734 -17.374 -15.009 1.00 62.31 C ATOM 378 CG LYS A 27 -8.080 -18.818 -15.328 1.00 74.30 C ATOM 379 CD LYS A 27 -9.578 -19.064 -15.245 1.00 43.33 C ATOM 380 CE LYS A 27 -10.254 -18.840 -16.589 1.00 72.52 C ATOM 381 NZ LYS A 27 -10.564 -17.403 -16.822 1.00 41.32 N ATOM 0 H LYS A 27 -7.691 -15.010 -14.073 1.00 14.33 H new ATOM 0 HA LYS A 27 -8.709 -17.573 -13.103 1.00 14.41 H new ATOM 0 HB2 LYS A 27 -8.384 -16.717 -15.587 1.00 62.31 H new ATOM 0 HB3 LYS A 27 -6.712 -17.174 -15.331 1.00 62.31 H new ATOM 0 HG2 LYS A 27 -7.725 -19.066 -16.328 1.00 74.30 H new ATOM 0 HG3 LYS A 27 -7.563 -19.479 -14.633 1.00 74.30 H new ATOM 0 HD2 LYS A 27 -9.762 -20.084 -14.909 1.00 43.33 H new ATOM 0 HD3 LYS A 27 -10.016 -18.399 -14.501 1.00 43.33 H new ATOM 0 HE2 LYS A 27 -9.607 -19.206 -17.386 1.00 72.52 H new ATOM 0 HE3 LYS A 27 -11.175 -19.422 -16.634 1.00 72.52 H new ATOM 0 HZ1 LYS A 27 -11.380 -17.323 -17.462 1.00 41.32 H new ATOM 0 HZ2 LYS A 27 -10.789 -16.945 -15.916 1.00 41.32 H new ATOM 0 HZ3 LYS A 27 -9.740 -16.935 -17.251 1.00 41.32 H new ATOM 395 N THR A 28 -5.583 -16.586 -12.833 1.00 21.42 N ATOM 396 CA THR A 28 -4.319 -16.863 -12.163 1.00 25.11 C ATOM 397 C THR A 28 -4.368 -16.442 -10.699 1.00 12.42 C ATOM 398 O THR A 28 -3.716 -17.045 -9.847 1.00 30.22 O ATOM 399 CB THR A 28 -3.147 -16.141 -12.854 1.00 3.41 C ATOM 400 OG1 THR A 28 -3.014 -14.814 -12.333 1.00 3.53 O ATOM 401 CG2 THR A 28 -3.360 -16.081 -14.359 1.00 3.11 C ATOM 0 H THR A 28 -5.609 -15.697 -13.333 1.00 21.42 H new ATOM 0 HA THR A 28 -4.159 -17.940 -12.223 1.00 25.11 H new ATOM 0 HB THR A 28 -2.235 -16.703 -12.654 1.00 3.41 H new ATOM 0 HG1 THR A 28 -2.212 -14.762 -11.772 1.00 3.53 H new ATOM 0 HG21 THR A 28 -2.520 -15.567 -14.825 1.00 3.11 H new ATOM 0 HG22 THR A 28 -3.432 -17.093 -14.757 1.00 3.11 H new ATOM 0 HG23 THR A 28 -4.281 -15.540 -14.575 1.00 3.11 H new ATOM 409 N ARG A 29 -5.146 -15.403 -10.413 1.00 53.31 N ATOM 410 CA ARG A 29 -5.280 -14.900 -9.051 1.00 73.30 C ATOM 411 C ARG A 29 -3.936 -14.417 -8.515 1.00 21.21 C ATOM 412 O ARG A 29 -3.670 -14.498 -7.316 1.00 3.22 O ATOM 413 CB ARG A 29 -5.845 -15.989 -8.136 1.00 63.15 C ATOM 414 CG ARG A 29 -7.332 -16.235 -8.328 1.00 54.31 C ATOM 415 CD ARG A 29 -7.848 -17.303 -7.376 1.00 42.14 C ATOM 416 NE ARG A 29 -7.486 -18.648 -7.816 1.00 14.11 N ATOM 417 CZ ARG A 29 -8.075 -19.273 -8.829 1.00 53.15 C ATOM 418 NH1 ARG A 29 -9.048 -18.677 -9.505 1.00 32.02 N ATOM 419 NH2 ARG A 29 -7.691 -20.496 -9.170 1.00 24.54 N ATOM 0 H ARG A 29 -5.693 -14.893 -11.107 1.00 53.31 H new ATOM 0 HA ARG A 29 -5.969 -14.056 -9.068 1.00 73.30 H new ATOM 0 HB2 ARG A 29 -5.305 -16.919 -8.316 1.00 63.15 H new ATOM 0 HB3 ARG A 29 -5.663 -15.710 -7.098 1.00 63.15 H new ATOM 0 HG2 ARG A 29 -7.879 -15.306 -8.166 1.00 54.31 H new ATOM 0 HG3 ARG A 29 -7.521 -16.541 -9.357 1.00 54.31 H new ATOM 0 HD2 ARG A 29 -7.444 -17.126 -6.379 1.00 42.14 H new ATOM 0 HD3 ARG A 29 -8.933 -17.226 -7.298 1.00 42.14 H new ATOM 0 HE ARG A 29 -6.740 -19.134 -7.318 1.00 14.11 H new ATOM 0 HH11 ARG A 29 -9.346 -17.736 -9.247 1.00 32.02 H new ATOM 0 HH12 ARG A 29 -9.498 -19.160 -10.283 1.00 32.02 H new ATOM 0 HH21 ARG A 29 -6.942 -20.958 -8.654 1.00 24.54 H new ATOM 0 HH22 ARG A 29 -8.145 -20.975 -9.948 1.00 24.54 H new ATOM 433 N TRP A 30 -3.093 -13.917 -9.411 1.00 13.50 N ATOM 434 CA TRP A 30 -1.776 -13.421 -9.028 1.00 30.01 C ATOM 435 C TRP A 30 -1.291 -12.355 -10.003 1.00 43.45 C ATOM 436 O TRP A 30 -1.644 -12.371 -11.183 1.00 31.00 O ATOM 437 CB TRP A 30 -0.772 -14.573 -8.971 1.00 63.24 C ATOM 438 CG TRP A 30 -0.278 -14.997 -10.321 1.00 63.44 C ATOM 439 CD1 TRP A 30 0.407 -14.231 -11.221 1.00 73.54 C ATOM 440 CD2 TRP A 30 -0.432 -16.287 -10.924 1.00 41.11 C ATOM 441 NE1 TRP A 30 0.687 -14.967 -12.348 1.00 22.35 N ATOM 442 CE2 TRP A 30 0.184 -16.232 -12.190 1.00 2.54 C ATOM 443 CE3 TRP A 30 -1.028 -17.483 -10.517 1.00 75.23 C ATOM 444 CZ2 TRP A 30 0.218 -17.326 -13.049 1.00 63.41 C ATOM 445 CZ3 TRP A 30 -0.994 -18.569 -11.372 1.00 11.24 C ATOM 446 CH2 TRP A 30 -0.374 -18.485 -12.625 1.00 42.02 C ATOM 0 H TRP A 30 -3.298 -13.844 -10.408 1.00 13.50 H new ATOM 0 HA TRP A 30 -1.858 -12.971 -8.039 1.00 30.01 H new ATOM 0 HB2 TRP A 30 0.078 -14.274 -8.358 1.00 63.24 H new ATOM 0 HB3 TRP A 30 -1.237 -15.427 -8.477 1.00 63.24 H new ATOM 0 HD1 TRP A 30 0.687 -13.199 -11.070 1.00 73.54 H new ATOM 0 HE1 TRP A 30 1.188 -14.627 -13.169 1.00 22.35 H new ATOM 0 HE3 TRP A 30 -1.507 -17.558 -9.552 1.00 75.23 H new ATOM 0 HZ2 TRP A 30 0.695 -17.263 -14.016 1.00 63.41 H new ATOM 0 HZ3 TRP A 30 -1.453 -19.498 -11.068 1.00 11.24 H new ATOM 0 HH2 TRP A 30 -0.363 -19.352 -13.269 1.00 42.02 H new ATOM 457 N CYS A 31 -0.479 -11.428 -9.505 1.00 61.20 N ATOM 458 CA CYS A 31 0.055 -10.353 -10.333 1.00 22.44 C ATOM 459 C CYS A 31 0.960 -10.909 -11.429 1.00 30.04 C ATOM 460 O CYS A 31 2.037 -11.437 -11.152 1.00 4.30 O ATOM 461 CB CYS A 31 0.833 -9.356 -9.471 1.00 74.30 C ATOM 462 SG CYS A 31 -0.112 -8.699 -8.059 1.00 21.54 S ATOM 0 H CYS A 31 -0.176 -11.400 -8.531 1.00 61.20 H new ATOM 0 HA CYS A 31 -0.783 -9.840 -10.804 1.00 22.44 H new ATOM 0 HB2 CYS A 31 1.734 -9.841 -9.097 1.00 74.30 H new ATOM 0 HB3 CYS A 31 1.155 -8.524 -10.097 1.00 74.30 H new ATOM 467 N LYS A 32 0.515 -10.786 -12.674 1.00 75.44 N ATOM 468 CA LYS A 32 1.283 -11.274 -13.814 1.00 32.03 C ATOM 469 C LYS A 32 1.914 -10.116 -14.580 1.00 22.02 C ATOM 470 O LYS A 32 1.391 -9.002 -14.580 1.00 42.34 O ATOM 471 CB LYS A 32 0.386 -12.089 -14.748 1.00 62.33 C ATOM 472 CG LYS A 32 -0.550 -11.238 -15.589 1.00 22.12 C ATOM 473 CD LYS A 32 -1.774 -12.024 -16.029 1.00 43.50 C ATOM 474 CE LYS A 32 -2.266 -11.570 -17.395 1.00 5.21 C ATOM 475 NZ LYS A 32 -3.094 -12.613 -18.061 1.00 2.02 N ATOM 0 H LYS A 32 -0.375 -10.352 -12.920 1.00 75.44 H new ATOM 0 HA LYS A 32 2.080 -11.914 -13.436 1.00 32.03 H new ATOM 0 HB2 LYS A 32 1.013 -12.687 -15.410 1.00 62.33 H new ATOM 0 HB3 LYS A 32 -0.205 -12.786 -14.154 1.00 62.33 H new ATOM 0 HG2 LYS A 32 -0.863 -10.365 -15.016 1.00 22.12 H new ATOM 0 HG3 LYS A 32 -0.019 -10.869 -16.466 1.00 22.12 H new ATOM 0 HD2 LYS A 32 -1.533 -13.086 -16.063 1.00 43.50 H new ATOM 0 HD3 LYS A 32 -2.570 -11.901 -15.295 1.00 43.50 H new ATOM 0 HE2 LYS A 32 -2.851 -10.657 -17.285 1.00 5.21 H new ATOM 0 HE3 LYS A 32 -1.411 -11.327 -18.026 1.00 5.21 H new ATOM 0 HZ1 LYS A 32 -3.410 -12.265 -18.989 1.00 2.02 H new ATOM 0 HZ2 LYS A 32 -2.528 -13.476 -18.189 1.00 2.02 H new ATOM 0 HZ3 LYS A 32 -3.923 -12.827 -17.471 1.00 2.02 H new ATOM 489 N TRP A 33 3.039 -10.388 -15.231 1.00 41.43 N ATOM 490 CA TRP A 33 3.741 -9.368 -16.003 1.00 15.31 C ATOM 491 C TRP A 33 3.220 -9.315 -17.435 1.00 65.01 C ATOM 492 O TRP A 33 3.437 -10.240 -18.217 1.00 63.21 O ATOM 493 CB TRP A 33 5.245 -9.644 -16.003 1.00 51.02 C ATOM 494 CG TRP A 33 6.077 -8.401 -16.090 1.00 42.55 C ATOM 495 CD1 TRP A 33 5.683 -7.182 -16.565 1.00 31.02 C ATOM 496 CD2 TRP A 33 7.445 -8.256 -15.694 1.00 43.43 C ATOM 497 NE1 TRP A 33 6.724 -6.288 -16.487 1.00 73.33 N ATOM 498 CE2 TRP A 33 7.816 -6.922 -15.956 1.00 53.10 C ATOM 499 CE3 TRP A 33 8.393 -9.122 -15.142 1.00 51.42 C ATOM 500 CZ2 TRP A 33 9.093 -6.437 -15.685 1.00 74.40 C ATOM 501 CZ3 TRP A 33 9.660 -8.639 -14.874 1.00 72.31 C ATOM 502 CH2 TRP A 33 10.000 -7.307 -15.145 1.00 23.33 C ATOM 0 H TRP A 33 3.485 -11.305 -15.240 1.00 41.43 H new ATOM 0 HA TRP A 33 3.557 -8.402 -15.534 1.00 15.31 H new ATOM 0 HB2 TRP A 33 5.508 -10.186 -15.094 1.00 51.02 H new ATOM 0 HB3 TRP A 33 5.488 -10.295 -16.843 1.00 51.02 H new ATOM 0 HD1 TRP A 33 4.698 -6.954 -16.946 1.00 31.02 H new ATOM 0 HE1 TRP A 33 6.689 -5.311 -16.777 1.00 73.33 H new ATOM 0 HE3 TRP A 33 8.140 -10.150 -14.929 1.00 51.42 H new ATOM 0 HZ2 TRP A 33 9.358 -5.411 -15.894 1.00 74.40 H new ATOM 0 HZ3 TRP A 33 10.401 -9.300 -14.448 1.00 72.31 H new ATOM 0 HH2 TRP A 33 10.998 -6.960 -14.923 1.00 23.33 H new ATOM 513 N GLN A 34 2.534 -8.228 -17.771 1.00 42.44 N ATOM 514 CA GLN A 34 1.983 -8.056 -19.111 1.00 24.34 C ATOM 515 C GLN A 34 2.929 -7.243 -19.988 1.00 62.34 C ATOM 516 O GLN A 34 3.663 -6.385 -19.497 1.00 40.15 O ATOM 517 CB GLN A 34 0.618 -7.370 -19.039 1.00 61.14 C ATOM 518 CG GLN A 34 -0.552 -8.324 -19.219 1.00 11.41 C ATOM 519 CD GLN A 34 -1.672 -7.724 -20.046 1.00 13.45 C ATOM 520 OE1 GLN A 34 -2.428 -6.877 -19.567 1.00 44.10 O ATOM 521 NE2 GLN A 34 -1.786 -8.160 -21.295 1.00 1.05 N ATOM 0 H GLN A 34 2.346 -7.453 -17.135 1.00 42.44 H new ATOM 0 HA GLN A 34 1.862 -9.043 -19.557 1.00 24.34 H new ATOM 0 HB2 GLN A 34 0.523 -6.869 -18.076 1.00 61.14 H new ATOM 0 HB3 GLN A 34 0.568 -6.598 -19.806 1.00 61.14 H new ATOM 0 HG2 GLN A 34 -0.201 -9.238 -19.699 1.00 11.41 H new ATOM 0 HG3 GLN A 34 -0.939 -8.607 -18.240 1.00 11.41 H new ATOM 0 HE21 GLN A 34 -1.138 -8.863 -21.651 1.00 1.05 H new ATOM 0 HE22 GLN A 34 -2.522 -7.792 -21.898 1.00 1.05 H new ATOM 530 N ILE A 35 2.907 -7.520 -21.288 1.00 13.42 N ATOM 531 CA ILE A 35 3.762 -6.813 -22.233 1.00 72.14 C ATOM 532 C ILE A 35 3.489 -5.313 -22.206 1.00 43.04 C ATOM 533 O ILE A 35 4.405 -4.502 -22.344 1.00 24.14 O ATOM 534 CB ILE A 35 3.564 -7.334 -23.669 1.00 53.43 C ATOM 535 CG1 ILE A 35 4.517 -6.619 -24.630 1.00 75.30 C ATOM 536 CG2 ILE A 35 2.119 -7.142 -24.107 1.00 64.44 C ATOM 537 CD1 ILE A 35 4.595 -7.266 -25.995 1.00 54.44 C ATOM 0 H ILE A 35 2.307 -8.228 -21.710 1.00 13.42 H new ATOM 0 HA ILE A 35 4.792 -6.998 -21.927 1.00 72.14 H new ATOM 0 HB ILE A 35 3.791 -8.400 -23.688 1.00 53.43 H new ATOM 0 HG12 ILE A 35 4.195 -5.584 -24.745 1.00 75.30 H new ATOM 0 HG13 ILE A 35 5.514 -6.596 -24.190 1.00 75.30 H new ATOM 0 HG21 ILE A 35 1.994 -7.515 -25.124 1.00 64.44 H new ATOM 0 HG22 ILE A 35 1.459 -7.692 -23.436 1.00 64.44 H new ATOM 0 HG23 ILE A 35 1.867 -6.082 -24.076 1.00 64.44 H new ATOM 0 HD11 ILE A 35 5.288 -6.707 -26.624 1.00 54.44 H new ATOM 0 HD12 ILE A 35 4.946 -8.293 -25.891 1.00 54.44 H new ATOM 0 HD13 ILE A 35 3.607 -7.265 -26.455 1.00 54.44 H new TER 549 ILE A 35