USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 LYS NZ :NH3+ -142:sc= -0.905 (180deg=-0.692) USER MOD Set 1.2: A 34 GLN : amide:sc= -0.846 K(o=-1.8,f=-4.1!) USER MOD Single : A 1 GLU N :NH3+ -118:sc= 0.0533 (180deg=-0.165) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.324 K(o=-0.32,f=-1.2) 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) USER MOD Single : A 15 GLN : amide:sc= -6.64! C(o=-6.6!,f=-6.3!) USER MOD Single : A 18 LYS NZ :NH3+ -105:sc= 0.35 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0286 USER MOD Single : A 20 SER OG : rot -30:sc= -2.59 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 28 THR OG1 : rot 180:sc= 0.0889 USER MOD Single : A 32 LYS NZ :NH3+ -139:sc= -0.209 (180deg=-0.994) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.390 0.225 -0.146 1.00 0.00 N ATOM 2 CA GLU A 1 2.314 0.034 -1.257 1.00 0.00 C ATOM 3 C GLU A 1 1.923 -1.184 -2.088 1.00 0.00 C ATOM 4 O GLU A 1 1.135 -2.023 -1.648 1.00 0.00 O ATOM 5 CB GLU A 1 3.745 -0.127 -0.738 1.00 0.00 C ATOM 6 CG GLU A 1 4.446 1.193 -0.467 1.00 0.00 C ATOM 7 CD GLU A 1 4.096 1.772 0.890 1.00 0.00 C ATOM 8 OE1 GLU A 1 4.074 1.004 1.874 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.842 2.993 0.967 1.00 0.00 O ATOM 0 H1 GLU A 1 0.910 1.142 -0.247 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.683 -0.538 -0.147 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.917 0.207 0.751 1.00 0.00 H new ATOM 0 HA GLU A 1 2.263 0.917 -1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.726 -0.714 0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.325 -0.694 -1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 1 5.524 1.047 -0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.177 1.909 -1.244 1.00 0.00 H new ATOM 16 N CYS A 2 2.478 -1.276 -3.292 1.00 0.00 N ATOM 17 CA CYS A 2 2.187 -2.390 -4.186 1.00 0.00 C ATOM 18 C CYS A 2 2.927 -3.649 -3.744 1.00 0.00 C ATOM 19 O CYS A 2 4.137 -3.624 -3.516 1.00 0.00 O ATOM 20 CB CYS A 2 2.577 -2.034 -5.622 1.00 0.00 C ATOM 21 SG CYS A 2 2.256 -0.298 -6.070 1.00 0.00 S ATOM 0 H CYS A 2 3.132 -0.592 -3.671 1.00 0.00 H new ATOM 0 HA CYS A 2 1.116 -2.586 -4.145 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.637 -2.244 -5.762 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.030 -2.682 -6.307 1.00 0.00 H new ATOM 26 N LEU A 3 2.192 -4.749 -3.624 1.00 0.00 N ATOM 27 CA LEU A 3 2.777 -6.020 -3.210 1.00 0.00 C ATOM 28 C LEU A 3 2.803 -7.011 -4.368 1.00 0.00 C ATOM 29 O LEU A 3 1.864 -7.784 -4.557 1.00 0.00 O ATOM 30 CB LEU A 3 1.990 -6.608 -2.037 1.00 0.00 C ATOM 31 CG LEU A 3 1.162 -5.616 -1.219 1.00 0.00 C ATOM 32 CD1 LEU A 3 -0.029 -6.314 -0.580 1.00 0.00 C ATOM 33 CD2 LEU A 3 2.025 -4.950 -0.158 1.00 0.00 C ATOM 0 H LEU A 3 1.189 -4.787 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 3 3.803 -5.833 -2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.321 -7.377 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.692 -7.104 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 3 0.786 -4.844 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.606 -5.592 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.660 -6.743 -1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.325 -7.107 0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.420 -4.247 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.430 -5.709 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.844 -4.415 -0.638 1.00 0.00 H new ATOM 45 N GLU A 4 3.885 -6.984 -5.140 1.00 0.00 N ATOM 46 CA GLU A 4 4.033 -7.881 -6.279 1.00 0.00 C ATOM 47 C GLU A 4 4.783 -9.149 -5.880 1.00 0.00 C ATOM 48 O GLU A 4 4.717 -10.166 -6.571 1.00 0.00 O ATOM 49 CB GLU A 4 4.771 -7.177 -7.420 1.00 0.00 C ATOM 50 CG GLU A 4 6.266 -7.042 -7.185 1.00 0.00 C ATOM 51 CD GLU A 4 6.938 -6.148 -8.210 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.578 -4.955 -8.285 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.825 -6.643 -8.936 1.00 0.00 O ATOM 0 H GLU A 4 4.672 -6.351 -4.997 1.00 0.00 H new ATOM 0 HA GLU A 4 3.036 -8.161 -6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.605 -7.730 -8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.343 -6.185 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.438 -6.638 -6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.725 -8.030 -7.213 1.00 0.00 H new ATOM 60 N ILE A 5 5.496 -9.079 -4.761 1.00 0.00 N ATOM 61 CA ILE A 5 6.259 -10.220 -4.269 1.00 0.00 C ATOM 62 C ILE A 5 5.345 -11.248 -3.610 1.00 0.00 C ATOM 63 O ILE A 5 5.730 -12.402 -3.416 1.00 0.00 O ATOM 64 CB ILE A 5 7.335 -9.783 -3.258 1.00 0.00 C ATOM 65 CG1 ILE A 5 8.114 -11.000 -2.752 1.00 0.00 C ATOM 66 CG2 ILE A 5 6.699 -9.035 -2.096 1.00 0.00 C ATOM 67 CD1 ILE A 5 8.679 -11.859 -3.861 1.00 0.00 C ATOM 0 H ILE A 5 5.561 -8.245 -4.178 1.00 0.00 H new ATOM 0 HA ILE A 5 6.746 -10.671 -5.133 1.00 0.00 H new ATOM 0 HB ILE A 5 8.031 -9.111 -3.759 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.931 -10.660 -2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.457 -11.609 -2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.473 -8.733 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.185 -8.150 -2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.983 -9.685 -1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.218 -12.702 -3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.865 -12.229 -4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.361 -11.265 -4.469 1.00 0.00 H new ATOM 79 N PHE A 6 4.134 -10.823 -3.269 1.00 0.00 N ATOM 80 CA PHE A 6 3.164 -11.707 -2.632 1.00 0.00 C ATOM 81 C PHE A 6 2.989 -11.350 -1.159 1.00 0.00 C ATOM 82 O PHE A 6 2.699 -12.213 -0.329 1.00 0.00 O ATOM 83 CB PHE A 6 3.607 -13.165 -2.766 1.00 0.00 C ATOM 84 CG PHE A 6 4.407 -13.659 -1.595 1.00 0.00 C ATOM 85 CD1 PHE A 6 5.324 -12.831 -0.967 1.00 0.00 C ATOM 86 CD2 PHE A 6 4.242 -14.950 -1.122 1.00 0.00 C ATOM 87 CE1 PHE A 6 6.062 -13.283 0.110 1.00 0.00 C ATOM 88 CE2 PHE A 6 4.977 -15.408 -0.044 1.00 0.00 C ATOM 89 CZ PHE A 6 5.888 -14.573 0.573 1.00 0.00 C ATOM 0 H PHE A 6 3.800 -9.872 -3.423 1.00 0.00 H new ATOM 0 HA PHE A 6 2.206 -11.578 -3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.725 -13.795 -2.885 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.201 -13.274 -3.673 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.463 -11.821 -1.324 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.531 -15.607 -1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.775 -12.628 0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.839 -16.417 0.315 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.463 -14.928 1.416 1.00 0.00 H new ATOM 99 N LYS A 7 3.166 -10.073 -0.840 1.00 0.00 N ATOM 100 CA LYS A 7 3.028 -9.599 0.532 1.00 0.00 C ATOM 101 C LYS A 7 1.560 -9.554 0.946 1.00 0.00 C ATOM 102 O LYS A 7 0.688 -9.234 0.139 1.00 0.00 O ATOM 103 CB LYS A 7 3.654 -8.211 0.680 1.00 0.00 C ATOM 104 CG LYS A 7 4.385 -8.010 1.996 1.00 0.00 C ATOM 105 CD LYS A 7 3.502 -7.324 3.025 1.00 0.00 C ATOM 106 CE LYS A 7 4.286 -6.308 3.842 1.00 0.00 C ATOM 107 NZ LYS A 7 5.058 -6.954 4.939 1.00 0.00 N ATOM 0 H LYS A 7 3.406 -9.346 -1.514 1.00 0.00 H new ATOM 0 HA LYS A 7 3.551 -10.297 1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.351 -8.047 -0.142 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.872 -7.457 0.590 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.713 -8.975 2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.281 -7.413 1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.673 -6.826 2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.068 -8.071 3.690 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.969 -5.766 3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.599 -5.574 4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.578 -6.228 5.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.404 -7.450 5.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.731 -7.636 4.535 1.00 0.00 H new ATOM 121 N ALA A 8 1.296 -9.875 2.208 1.00 0.00 N ATOM 122 CA ALA A 8 -0.065 -9.866 2.730 1.00 0.00 C ATOM 123 C ALA A 8 -0.782 -8.569 2.373 1.00 0.00 C ATOM 124 O ALA A 8 -0.425 -7.496 2.861 1.00 0.00 O ATOM 125 CB ALA A 8 -0.054 -10.068 4.238 1.00 0.00 C ATOM 0 H ALA A 8 2.007 -10.145 2.888 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.609 -10.690 2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.077 -10.059 4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.411 -11.025 4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.512 -9.264 4.709 1.00 0.00 H new ATOM 131 N CYS A 9 -1.795 -8.673 1.519 1.00 0.00 N ATOM 132 CA CYS A 9 -2.561 -7.508 1.095 1.00 0.00 C ATOM 133 C CYS A 9 -3.712 -7.234 2.059 1.00 0.00 C ATOM 134 O CYS A 9 -4.254 -8.153 2.672 1.00 0.00 O ATOM 135 CB CYS A 9 -3.105 -7.715 -0.320 1.00 0.00 C ATOM 136 SG CYS A 9 -4.918 -7.879 -0.403 1.00 0.00 S ATOM 0 H CYS A 9 -2.104 -9.553 1.107 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.894 -6.646 1.098 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.798 -6.874 -0.942 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.650 -8.610 -0.745 1.00 0.00 H new ATOM 141 N ASN A 10 -4.080 -5.963 2.188 1.00 0.00 N ATOM 142 CA ASN A 10 -5.167 -5.568 3.077 1.00 0.00 C ATOM 143 C ASN A 10 -6.497 -5.537 2.330 1.00 0.00 C ATOM 144 O ASN A 10 -6.556 -5.279 1.128 1.00 0.00 O ATOM 145 CB ASN A 10 -4.879 -4.195 3.688 1.00 0.00 C ATOM 146 CG ASN A 10 -4.148 -4.294 5.013 1.00 0.00 C ATOM 147 OD1 ASN A 10 -4.462 -5.143 5.847 1.00 0.00 O ATOM 148 ND2 ASN A 10 -3.166 -3.422 5.212 1.00 0.00 N ATOM 0 H ASN A 10 -3.642 -5.189 1.688 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.237 -6.306 3.876 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.282 -3.608 2.990 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.818 -3.661 3.833 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.638 -3.439 6.084 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.940 -2.735 4.492 1.00 0.00 H new ATOM 155 N PRO A 11 -7.591 -5.805 3.059 1.00 0.00 N ATOM 156 CA PRO A 11 -8.940 -5.812 2.487 1.00 0.00 C ATOM 157 C PRO A 11 -9.416 -4.415 2.106 1.00 0.00 C ATOM 158 O PRO A 11 -10.038 -4.223 1.061 1.00 0.00 O ATOM 159 CB PRO A 11 -9.801 -6.381 3.617 1.00 0.00 C ATOM 160 CG PRO A 11 -9.051 -6.060 4.863 1.00 0.00 C ATOM 161 CD PRO A 11 -7.594 -6.121 4.497 1.00 0.00 C ATOM 0 HA PRO A 11 -8.988 -6.389 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.793 -5.929 3.625 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.941 -7.456 3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.319 -5.071 5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.285 -6.773 5.654 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.006 -5.402 5.068 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.171 -7.106 4.693 1.00 0.00 H new ATOM 169 N SER A 12 -9.121 -3.441 2.961 1.00 0.00 N ATOM 170 CA SER A 12 -9.522 -2.060 2.715 1.00 0.00 C ATOM 171 C SER A 12 -8.329 -1.218 2.275 1.00 0.00 C ATOM 172 O SER A 12 -8.421 -0.439 1.328 1.00 0.00 O ATOM 173 CB SER A 12 -10.150 -1.458 3.974 1.00 0.00 C ATOM 174 OG SER A 12 -10.649 -0.156 3.722 1.00 0.00 O ATOM 0 H SER A 12 -8.606 -3.582 3.830 1.00 0.00 H new ATOM 0 HA SER A 12 -10.260 -2.059 1.913 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.959 -2.100 4.323 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.408 -1.418 4.771 1.00 0.00 H new ATOM 0 HG SER A 12 -11.046 0.206 4.541 1.00 0.00 H new ATOM 180 N ASN A 13 -7.208 -1.381 2.971 1.00 0.00 N ATOM 181 CA ASN A 13 -5.996 -0.636 2.653 1.00 0.00 C ATOM 182 C ASN A 13 -5.443 -1.051 1.294 1.00 0.00 C ATOM 183 O ASN A 13 -4.655 -1.992 1.193 1.00 0.00 O ATOM 184 CB ASN A 13 -4.937 -0.858 3.736 1.00 0.00 C ATOM 185 CG ASN A 13 -4.088 0.376 3.976 1.00 0.00 C ATOM 186 OD1 ASN A 13 -4.557 1.367 4.535 1.00 0.00 O ATOM 187 ND2 ASN A 13 -2.831 0.320 3.551 1.00 0.00 N ATOM 0 H ASN A 13 -7.114 -2.022 3.759 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.250 0.423 2.614 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.427 -1.145 4.666 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.293 -1.688 3.446 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.212 1.120 3.683 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.485 -0.523 3.092 1.00 0.00 H new ATOM 194 N ASP A 14 -5.861 -0.343 0.250 1.00 0.00 N ATOM 195 CA ASP A 14 -5.406 -0.636 -1.104 1.00 0.00 C ATOM 196 C ASP A 14 -3.882 -0.644 -1.176 1.00 0.00 C ATOM 197 O ASP A 14 -3.246 0.409 -1.168 1.00 0.00 O ATOM 198 CB ASP A 14 -5.970 0.390 -2.088 1.00 0.00 C ATOM 199 CG ASP A 14 -5.271 0.349 -3.432 1.00 0.00 C ATOM 200 OD1 ASP A 14 -5.144 -0.755 -4.002 1.00 0.00 O ATOM 201 OD2 ASP A 14 -4.851 1.422 -3.915 1.00 0.00 O ATOM 0 H ASP A 14 -6.514 0.438 0.316 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.770 -1.627 -1.376 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.035 0.206 -2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.874 1.389 -1.662 1.00 0.00 H new ATOM 206 N GLN A 15 -3.305 -1.839 -1.246 1.00 0.00 N ATOM 207 CA GLN A 15 -1.855 -1.983 -1.318 1.00 0.00 C ATOM 208 C GLN A 15 -1.400 -2.199 -2.757 1.00 0.00 C ATOM 209 O GLN A 15 -0.712 -1.357 -3.335 1.00 0.00 O ATOM 210 CB GLN A 15 -1.394 -3.151 -0.444 1.00 0.00 C ATOM 211 CG GLN A 15 -1.313 -2.809 1.035 1.00 0.00 C ATOM 212 CD GLN A 15 -0.279 -3.639 1.770 1.00 0.00 C ATOM 213 OE1 GLN A 15 0.882 -3.247 1.883 1.00 0.00 O ATOM 214 NE2 GLN A 15 -0.697 -4.794 2.275 1.00 0.00 N ATOM 0 H GLN A 15 -3.818 -2.721 -1.254 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.405 -1.062 -0.949 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.080 -3.987 -0.578 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.414 -3.485 -0.785 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.071 -1.752 1.147 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.290 -2.963 1.494 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.669 -5.080 2.158 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.046 -5.395 2.780 1.00 0.00 H new ATOM 223 N CYS A 16 -1.789 -3.333 -3.332 1.00 0.00 N ATOM 224 CA CYS A 16 -1.421 -3.661 -4.704 1.00 0.00 C ATOM 225 C CYS A 16 -1.496 -2.426 -5.597 1.00 0.00 C ATOM 226 O CYS A 16 -2.323 -1.540 -5.383 1.00 0.00 O ATOM 227 CB CYS A 16 -2.337 -4.757 -5.251 1.00 0.00 C ATOM 228 SG CYS A 16 -2.751 -6.053 -4.041 1.00 0.00 S ATOM 0 H CYS A 16 -2.359 -4.040 -2.868 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.393 -4.024 -4.702 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.260 -4.300 -5.607 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.857 -5.220 -6.113 1.00 0.00 H new ATOM 233 N CYS A 17 -0.626 -2.375 -6.600 1.00 0.00 N ATOM 234 CA CYS A 17 -0.592 -1.250 -7.527 1.00 0.00 C ATOM 235 C CYS A 17 -1.870 -1.192 -8.359 1.00 0.00 C ATOM 236 O CYS A 17 -2.798 -1.973 -8.148 1.00 0.00 O ATOM 237 CB CYS A 17 0.624 -1.358 -8.449 1.00 0.00 C ATOM 238 SG CYS A 17 1.968 -0.196 -8.045 1.00 0.00 S ATOM 0 H CYS A 17 0.065 -3.100 -6.792 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.517 -0.333 -6.943 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.012 -2.376 -8.404 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.304 -1.184 -9.476 1.00 0.00 H new ATOM 243 N LYS A 18 -1.911 -0.262 -9.306 1.00 0.00 N ATOM 244 CA LYS A 18 -3.074 -0.101 -10.172 1.00 0.00 C ATOM 245 C LYS A 18 -2.927 -0.936 -11.440 1.00 0.00 C ATOM 246 O LYS A 18 -3.432 -2.055 -11.520 1.00 0.00 O ATOM 247 CB LYS A 18 -3.263 1.373 -10.538 1.00 0.00 C ATOM 248 CG LYS A 18 -4.289 2.086 -9.675 1.00 0.00 C ATOM 249 CD LYS A 18 -3.941 1.990 -8.199 1.00 0.00 C ATOM 250 CE LYS A 18 -4.926 1.105 -7.451 1.00 0.00 C ATOM 251 NZ LYS A 18 -5.960 1.905 -6.738 1.00 0.00 N ATOM 0 H LYS A 18 -1.152 0.393 -9.494 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.952 -0.449 -9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.306 1.887 -10.449 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.567 1.444 -11.582 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.347 3.134 -9.968 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.274 1.652 -9.846 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.933 1.590 -8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.939 2.987 -7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.412 0.428 -8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.386 0.487 -6.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.753 1.910 -5.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.953 2.881 -7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.897 1.484 -6.899 1.00 0.00 H new ATOM 265 N SER A 19 -2.231 -0.384 -12.429 1.00 0.00 N ATOM 266 CA SER A 19 -2.020 -1.077 -13.695 1.00 0.00 C ATOM 267 C SER A 19 -1.312 -2.410 -13.473 1.00 0.00 C ATOM 268 O SER A 19 -1.360 -3.300 -14.321 1.00 0.00 O ATOM 269 CB SER A 19 -1.201 -0.204 -14.648 1.00 0.00 C ATOM 270 OG SER A 19 -0.232 0.551 -13.943 1.00 0.00 O ATOM 0 H SER A 19 -1.804 0.541 -12.378 1.00 0.00 H new ATOM 0 HA SER A 19 -2.995 -1.273 -14.141 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.708 -0.833 -15.389 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.865 0.468 -15.192 1.00 0.00 H new ATOM 0 HG SER A 19 0.279 1.099 -14.575 1.00 0.00 H new ATOM 276 N SER A 20 -0.653 -2.539 -12.325 1.00 0.00 N ATOM 277 CA SER A 20 0.069 -3.761 -11.992 1.00 0.00 C ATOM 278 C SER A 20 -0.855 -4.973 -12.057 1.00 0.00 C ATOM 279 O SER A 20 -2.059 -4.865 -11.821 1.00 0.00 O ATOM 280 CB SER A 20 0.685 -3.649 -10.596 1.00 0.00 C ATOM 281 OG SER A 20 -0.312 -3.723 -9.591 1.00 0.00 O ATOM 0 H SER A 20 -0.605 -1.812 -11.611 1.00 0.00 H new ATOM 0 HA SER A 20 0.866 -3.894 -12.724 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.412 -4.448 -10.451 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.225 -2.706 -10.508 1.00 0.00 H new ATOM 0 HG SER A 20 -1.153 -3.358 -9.937 1.00 0.00 H new ATOM 287 N LYS A 21 -0.284 -6.128 -12.379 1.00 0.00 N ATOM 288 CA LYS A 21 -1.053 -7.363 -12.475 1.00 0.00 C ATOM 289 C LYS A 21 -1.168 -8.040 -11.113 1.00 0.00 C ATOM 290 O LYS A 21 -2.092 -8.817 -10.871 1.00 0.00 O ATOM 291 CB LYS A 21 -0.401 -8.318 -13.478 1.00 0.00 C ATOM 292 CG LYS A 21 -0.842 -8.088 -14.913 1.00 0.00 C ATOM 293 CD LYS A 21 -0.045 -6.972 -15.569 1.00 0.00 C ATOM 294 CE LYS A 21 -0.584 -6.643 -16.953 1.00 0.00 C ATOM 295 NZ LYS A 21 -1.706 -5.666 -16.893 1.00 0.00 N ATOM 0 H LYS A 21 0.711 -6.235 -12.578 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.055 -7.111 -12.822 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.682 -8.210 -13.418 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.635 -9.344 -13.195 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.720 -9.008 -15.484 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.903 -7.839 -14.933 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.080 -6.081 -14.942 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.002 -7.267 -15.645 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.219 -6.237 -17.568 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.925 -7.558 -17.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.046 -5.468 -17.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.483 -6.064 -16.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.375 -4.783 -16.454 1.00 0.00 H new ATOM 309 N LEU A 22 -0.226 -7.738 -10.226 1.00 0.00 N ATOM 310 CA LEU A 22 -0.223 -8.316 -8.887 1.00 0.00 C ATOM 311 C LEU A 22 -1.638 -8.395 -8.324 1.00 0.00 C ATOM 312 O LEU A 22 -2.229 -7.379 -7.958 1.00 0.00 O ATOM 313 CB LEU A 22 0.664 -7.488 -7.955 1.00 0.00 C ATOM 314 CG LEU A 22 1.156 -6.150 -8.509 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.362 -5.149 -7.383 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.443 -6.341 -9.299 1.00 0.00 C ATOM 0 H LEU A 22 0.545 -7.096 -10.410 1.00 0.00 H new ATOM 0 HA LEU A 22 0.177 -9.328 -8.956 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.111 -7.296 -7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.533 -8.088 -7.685 1.00 0.00 H new ATOM 0 HG LEU A 22 0.395 -5.755 -9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.712 -4.203 -7.796 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.419 -4.990 -6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.103 -5.536 -6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.779 -5.379 -9.686 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.211 -6.758 -8.648 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.262 -7.023 -10.130 1.00 0.00 H new ATOM 328 N VAL A 23 -2.176 -9.609 -8.256 1.00 0.00 N ATOM 329 CA VAL A 23 -3.521 -9.821 -7.735 1.00 0.00 C ATOM 330 C VAL A 23 -3.479 -10.335 -6.300 1.00 0.00 C ATOM 331 O VAL A 23 -2.557 -11.053 -5.913 1.00 0.00 O ATOM 332 CB VAL A 23 -4.308 -10.819 -8.604 1.00 0.00 C ATOM 333 CG1 VAL A 23 -3.611 -12.171 -8.630 1.00 0.00 C ATOM 334 CG2 VAL A 23 -5.736 -10.957 -8.095 1.00 0.00 C ATOM 0 H VAL A 23 -1.701 -10.460 -8.555 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.026 -8.855 -7.757 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.344 -10.436 -9.624 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.182 -12.863 -9.249 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.609 -12.056 -9.044 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.542 -12.564 -7.616 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.278 -11.666 -8.720 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.722 -11.317 -7.066 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.231 -9.987 -8.133 1.00 0.00 H new ATOM 344 N CYS A 24 -4.484 -9.963 -5.515 1.00 0.00 N ATOM 345 CA CYS A 24 -4.564 -10.386 -4.122 1.00 0.00 C ATOM 346 C CYS A 24 -5.842 -11.180 -3.867 1.00 0.00 C ATOM 347 O CYS A 24 -5.875 -12.063 -3.009 1.00 0.00 O ATOM 348 CB CYS A 24 -4.513 -9.170 -3.194 1.00 0.00 C ATOM 349 SG CYS A 24 -5.364 -9.413 -1.603 1.00 0.00 S ATOM 0 H CYS A 24 -5.255 -9.369 -5.820 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.709 -11.030 -3.914 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.470 -8.917 -3.001 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.959 -8.317 -3.706 1.00 0.00 H new ATOM 354 N SER A 25 -6.891 -10.860 -4.618 1.00 0.00 N ATOM 355 CA SER A 25 -8.172 -11.541 -4.472 1.00 0.00 C ATOM 356 C SER A 25 -8.107 -12.951 -5.051 1.00 0.00 C ATOM 357 O SER A 25 -8.377 -13.932 -4.358 1.00 0.00 O ATOM 358 CB SER A 25 -9.279 -10.744 -5.163 1.00 0.00 C ATOM 359 OG SER A 25 -10.560 -11.237 -4.809 1.00 0.00 O ATOM 0 H SER A 25 -6.879 -10.133 -5.334 1.00 0.00 H new ATOM 0 HA SER A 25 -8.397 -11.614 -3.408 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.201 -9.693 -4.886 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.151 -10.799 -6.244 1.00 0.00 H new ATOM 0 HG SER A 25 -11.250 -10.710 -5.262 1.00 0.00 H new ATOM 365 N ARG A 26 -7.747 -13.043 -6.327 1.00 0.00 N ATOM 366 CA ARG A 26 -7.648 -14.332 -7.002 1.00 0.00 C ATOM 367 C ARG A 26 -6.866 -15.331 -6.153 1.00 0.00 C ATOM 368 O ARG A 26 -7.359 -16.414 -5.839 1.00 0.00 O ATOM 369 CB ARG A 26 -6.974 -14.167 -8.365 1.00 0.00 C ATOM 370 CG ARG A 26 -7.879 -13.554 -9.421 1.00 0.00 C ATOM 371 CD ARG A 26 -7.169 -13.435 -10.761 1.00 0.00 C ATOM 372 NE ARG A 26 -8.063 -12.956 -11.813 1.00 0.00 N ATOM 373 CZ ARG A 26 -7.785 -13.044 -13.109 1.00 0.00 C ATOM 374 NH1 ARG A 26 -6.646 -13.589 -13.511 1.00 0.00 N ATOM 375 NH2 ARG A 26 -8.649 -12.586 -14.006 1.00 0.00 N ATOM 0 H ARG A 26 -7.519 -12.241 -6.914 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.657 -14.717 -7.148 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.089 -13.542 -8.250 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.633 -15.142 -8.713 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.774 -14.166 -9.535 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.207 -12.568 -9.093 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.324 -12.753 -10.665 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.764 -14.406 -11.044 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.948 -12.531 -11.537 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.980 -13.943 -12.825 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.436 -13.655 -14.507 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.527 -12.166 -13.700 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.435 -12.654 -15.001 1.00 0.00 H new ATOM 389 N LYS A 27 -5.644 -14.959 -5.787 1.00 0.00 N ATOM 390 CA LYS A 27 -4.793 -15.820 -4.974 1.00 0.00 C ATOM 391 C LYS A 27 -4.997 -15.542 -3.489 1.00 0.00 C ATOM 392 O LYS A 27 -5.937 -14.848 -3.099 1.00 0.00 O ATOM 393 CB LYS A 27 -3.323 -15.616 -5.346 1.00 0.00 C ATOM 394 CG LYS A 27 -3.070 -15.598 -6.843 1.00 0.00 C ATOM 395 CD LYS A 27 -1.614 -15.889 -7.167 1.00 0.00 C ATOM 396 CE LYS A 27 -1.485 -16.908 -8.288 1.00 0.00 C ATOM 397 NZ LYS A 27 -1.356 -16.254 -9.620 1.00 0.00 N ATOM 0 H LYS A 27 -5.221 -14.066 -6.041 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.071 -16.855 -5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.975 -14.677 -4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.729 -16.411 -4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.706 -16.337 -7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.346 -14.624 -7.248 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.113 -14.965 -7.455 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.109 -16.261 -6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.614 -17.539 -8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.358 -17.561 -8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.883 -16.803 -10.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.743 -15.290 -9.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.353 -16.212 -9.890 1.00 0.00 H new ATOM 411 N THR A 28 -4.109 -16.085 -2.662 1.00 0.00 N ATOM 412 CA THR A 28 -4.191 -15.895 -1.219 1.00 0.00 C ATOM 413 C THR A 28 -4.272 -14.415 -0.864 1.00 0.00 C ATOM 414 O THR A 28 -4.178 -13.551 -1.736 1.00 0.00 O ATOM 415 CB THR A 28 -2.980 -16.518 -0.500 1.00 0.00 C ATOM 416 OG1 THR A 28 -2.365 -17.502 -1.339 1.00 0.00 O ATOM 417 CG2 THR A 28 -3.401 -17.157 0.815 1.00 0.00 C ATOM 0 H THR A 28 -3.324 -16.660 -2.967 1.00 0.00 H new ATOM 0 HA THR A 28 -5.099 -16.397 -0.885 1.00 0.00 H new ATOM 0 HB THR A 28 -2.264 -15.724 -0.287 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.595 -17.892 -0.875 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.529 -17.590 1.305 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.842 -16.399 1.463 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.134 -17.940 0.621 1.00 0.00 H new ATOM 425 N ARG A 29 -4.447 -14.128 0.422 1.00 0.00 N ATOM 426 CA ARG A 29 -4.542 -12.752 0.892 1.00 0.00 C ATOM 427 C ARG A 29 -3.353 -11.928 0.405 1.00 0.00 C ATOM 428 O ARG A 29 -3.409 -10.699 0.372 1.00 0.00 O ATOM 429 CB ARG A 29 -4.608 -12.715 2.420 1.00 0.00 C ATOM 430 CG ARG A 29 -6.000 -12.969 2.975 1.00 0.00 C ATOM 431 CD ARG A 29 -6.292 -14.457 3.090 1.00 0.00 C ATOM 432 NE ARG A 29 -5.363 -15.128 3.996 1.00 0.00 N ATOM 433 CZ ARG A 29 -5.536 -16.368 4.441 1.00 0.00 C ATOM 434 NH1 ARG A 29 -6.598 -17.068 4.065 1.00 0.00 N ATOM 435 NH2 ARG A 29 -4.646 -16.910 5.262 1.00 0.00 N ATOM 0 H ARG A 29 -4.526 -14.831 1.157 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.455 -12.318 0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.923 -13.461 2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.259 -11.742 2.767 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.092 -12.502 3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.742 -12.501 2.328 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.312 -14.600 3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.231 -14.916 2.103 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.536 -14.616 4.304 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.284 -16.655 3.433 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.729 -18.020 4.408 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.828 -16.375 5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.780 -17.862 5.603 1.00 0.00 H new ATOM 449 N ALA A 30 -2.279 -12.614 0.028 1.00 0.00 N ATOM 450 CA ALA A 30 -1.078 -11.947 -0.459 1.00 0.00 C ATOM 451 C ALA A 30 -1.241 -11.515 -1.913 1.00 0.00 C ATOM 452 O ALA A 30 -1.916 -12.182 -2.697 1.00 0.00 O ATOM 453 CB ALA A 30 0.130 -12.859 -0.310 1.00 0.00 C ATOM 0 H ALA A 30 -2.216 -13.632 0.051 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.920 -11.052 0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.020 -12.348 -0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.266 -13.114 0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.029 -13.770 -0.886 1.00 0.00 H new ATOM 459 N CYS A 31 -0.620 -10.394 -2.265 1.00 0.00 N ATOM 460 CA CYS A 31 -0.697 -9.872 -3.624 1.00 0.00 C ATOM 461 C CYS A 31 0.560 -10.225 -4.414 1.00 0.00 C ATOM 462 O CYS A 31 1.666 -9.815 -4.060 1.00 0.00 O ATOM 463 CB CYS A 31 -0.887 -8.354 -3.599 1.00 0.00 C ATOM 464 SG CYS A 31 -2.013 -7.725 -4.886 1.00 0.00 S ATOM 0 H CYS A 31 -0.058 -9.830 -1.628 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.555 -10.331 -4.115 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.271 -8.063 -2.621 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.085 -7.875 -3.716 1.00 0.00 H new ATOM 469 N LYS A 32 0.383 -10.988 -5.488 1.00 0.00 N ATOM 470 CA LYS A 32 1.500 -11.396 -6.330 1.00 0.00 C ATOM 471 C LYS A 32 1.103 -11.388 -7.803 1.00 0.00 C ATOM 472 O LYS A 32 -0.056 -11.625 -8.144 1.00 0.00 O ATOM 473 CB LYS A 32 1.986 -12.790 -5.929 1.00 0.00 C ATOM 474 CG LYS A 32 0.859 -13.771 -5.656 1.00 0.00 C ATOM 475 CD LYS A 32 1.370 -15.200 -5.577 1.00 0.00 C ATOM 476 CE LYS A 32 1.947 -15.660 -6.907 1.00 0.00 C ATOM 477 NZ LYS A 32 3.434 -15.588 -6.922 1.00 0.00 N ATOM 0 H LYS A 32 -0.525 -11.336 -5.795 1.00 0.00 H new ATOM 0 HA LYS A 32 2.310 -10.681 -6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.618 -13.188 -6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.608 -12.707 -5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.365 -13.508 -4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.110 -13.695 -6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.134 -15.272 -4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.556 -15.863 -5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.631 -16.684 -7.105 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.546 -15.042 -7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.755 -15.224 -7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.758 -14.952 -6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.829 -16.538 -6.769 1.00 0.00 H new ATOM 491 N TYR A 33 2.071 -11.116 -8.671 1.00 0.00 N ATOM 492 CA TYR A 33 1.821 -11.077 -10.107 1.00 0.00 C ATOM 493 C TYR A 33 1.458 -12.462 -10.635 1.00 0.00 C ATOM 494 O TYR A 33 2.163 -13.438 -10.381 1.00 0.00 O ATOM 495 CB TYR A 33 3.049 -10.544 -10.845 1.00 0.00 C ATOM 496 CG TYR A 33 4.255 -11.452 -10.750 1.00 0.00 C ATOM 497 CD1 TYR A 33 5.113 -11.387 -9.660 1.00 0.00 C ATOM 498 CD2 TYR A 33 4.535 -12.374 -11.751 1.00 0.00 C ATOM 499 CE1 TYR A 33 6.216 -12.214 -9.569 1.00 0.00 C ATOM 500 CE2 TYR A 33 5.635 -13.206 -11.668 1.00 0.00 C ATOM 501 CZ TYR A 33 6.472 -13.122 -10.575 1.00 0.00 C ATOM 502 OH TYR A 33 7.569 -13.948 -10.489 1.00 0.00 O ATOM 0 H TYR A 33 3.036 -10.919 -8.405 1.00 0.00 H new ATOM 0 HA TYR A 33 0.979 -10.408 -10.285 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.796 -10.398 -11.895 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.309 -9.566 -10.441 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.915 -10.678 -8.870 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.882 -12.441 -12.608 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.874 -12.150 -8.715 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.838 -13.918 -12.454 1.00 0.00 H new ATOM 0 HH TYR A 33 7.604 -14.528 -11.278 1.00 0.00 H new ATOM 512 N GLN A 34 0.353 -12.537 -11.370 1.00 0.00 N ATOM 513 CA GLN A 34 -0.104 -13.801 -11.934 1.00 0.00 C ATOM 514 C GLN A 34 0.946 -14.393 -12.868 1.00 0.00 C ATOM 515 O GLN A 34 1.595 -15.386 -12.539 1.00 0.00 O ATOM 516 CB GLN A 34 -1.420 -13.602 -12.688 1.00 0.00 C ATOM 517 CG GLN A 34 -2.653 -13.756 -11.812 1.00 0.00 C ATOM 518 CD GLN A 34 -3.184 -15.176 -11.798 1.00 0.00 C ATOM 519 OE1 GLN A 34 -2.776 -16.012 -12.605 1.00 0.00 O ATOM 520 NE2 GLN A 34 -4.101 -15.456 -10.879 1.00 0.00 N ATOM 0 H GLN A 34 -0.242 -11.738 -11.589 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.266 -14.498 -11.112 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.425 -12.609 -13.137 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.473 -14.321 -13.505 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.411 -13.452 -10.794 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.433 -13.084 -12.168 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.410 -14.732 -10.230 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.496 -16.395 -10.822 1.00 0.00 H new ATOM 529 N ILE A 35 1.109 -13.775 -14.034 1.00 0.00 N ATOM 530 CA ILE A 35 2.081 -14.240 -15.015 1.00 0.00 C ATOM 531 C ILE A 35 3.283 -13.304 -15.084 1.00 0.00 C ATOM 532 O ILE A 35 4.337 -13.668 -15.606 1.00 0.00 O ATOM 533 CB ILE A 35 1.455 -14.358 -16.417 1.00 0.00 C ATOM 534 CG1 ILE A 35 0.758 -13.050 -16.799 1.00 0.00 C ATOM 535 CG2 ILE A 35 0.474 -15.520 -16.463 1.00 0.00 C ATOM 536 CD1 ILE A 35 0.664 -12.830 -18.292 1.00 0.00 C ATOM 0 H ILE A 35 0.580 -12.951 -14.321 1.00 0.00 H new ATOM 0 HA ILE A 35 2.410 -15.227 -14.689 1.00 0.00 H new ATOM 0 HB ILE A 35 2.249 -14.550 -17.139 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.246 -13.046 -16.375 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.297 -12.216 -16.350 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.040 -15.590 -17.460 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.997 -16.447 -16.229 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.319 -15.356 -15.733 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.159 -11.884 -18.489 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.666 -12.802 -18.719 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.099 -13.645 -18.745 1.00 0.00 H new TER 548 ILE A 35