USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 279 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+ -138:sc= 0.303 (180deg=-0.368) USER MOD Set 1.2: A 34 GLN : amide:sc= 0.074 K(o=0.38,f=-1.3) USER MOD Single : A 1 GLU N :NH3+ -115:sc= 0.0915 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -146:sc= 1.18 (180deg=0.191) USER MOD Single : A 10 ASN : amide:sc= -0.964 X(o=-0.96,f=-1.2) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc=-0.00479 X(o=-0.0048,f=0.039) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 18 LYS NZ :NH3+ -150:sc= -0.163 (180deg=-1.25) USER MOD Single : A 19 SER OG : rot 170:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 149:sc= -0.0359 (180deg=-0.61) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0902 USER MOD Single : A 28 THR OG1 : rot 151:sc= 1.84 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.148 1.448 -1.921 1.00 0.00 N ATOM 2 CA GLU A 1 2.720 0.381 -1.024 1.00 0.00 C ATOM 3 C GLU A 1 3.597 -0.856 -1.193 1.00 0.00 C ATOM 4 O GLU A 1 4.293 -1.006 -2.198 1.00 0.00 O ATOM 5 CB GLU A 1 1.256 0.021 -1.286 1.00 0.00 C ATOM 6 CG GLU A 1 0.639 -0.845 -0.201 1.00 0.00 C ATOM 7 CD GLU A 1 -0.873 -0.732 -0.154 1.00 0.00 C ATOM 8 OE1 GLU A 1 -1.375 0.330 0.268 1.00 0.00 O ATOM 9 OE2 GLU A 1 -1.553 -1.706 -0.540 1.00 0.00 O ATOM 0 H1 GLU A 1 3.500 2.251 -1.362 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.907 1.098 -2.540 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.343 1.757 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 1 2.821 0.740 0.000 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.676 0.939 -1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.184 -0.501 -2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.917 -1.885 -0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.051 -0.558 0.766 1.00 0.00 H new ATOM 16 N CYS A 2 3.559 -1.741 -0.202 1.00 0.00 N ATOM 17 CA CYS A 2 4.350 -2.965 -0.238 1.00 0.00 C ATOM 18 C CYS A 2 4.047 -3.844 0.972 1.00 0.00 C ATOM 19 O CYS A 2 3.694 -3.347 2.042 1.00 0.00 O ATOM 20 CB CYS A 2 5.843 -2.631 -0.278 1.00 0.00 C ATOM 21 SG CYS A 2 6.355 -1.366 0.928 1.00 0.00 S ATOM 0 H CYS A 2 2.988 -1.633 0.636 1.00 0.00 H new ATOM 0 HA CYS A 2 4.083 -3.514 -1.141 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.413 -3.542 -0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 2 6.101 -2.288 -1.280 1.00 0.00 H new ATOM 26 N LEU A 3 4.188 -5.153 0.795 1.00 0.00 N ATOM 27 CA LEU A 3 3.930 -6.103 1.872 1.00 0.00 C ATOM 28 C LEU A 3 4.876 -5.866 3.045 1.00 0.00 C ATOM 29 O LEU A 3 5.987 -6.394 3.074 1.00 0.00 O ATOM 30 CB LEU A 3 4.082 -7.537 1.361 1.00 0.00 C ATOM 31 CG LEU A 3 5.318 -7.817 0.506 1.00 0.00 C ATOM 32 CD1 LEU A 3 6.343 -8.615 1.296 1.00 0.00 C ATOM 33 CD2 LEU A 3 4.929 -8.556 -0.767 1.00 0.00 C ATOM 0 H LEU A 3 4.479 -5.581 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 3 2.907 -5.954 2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.100 -8.208 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.197 -7.789 0.778 1.00 0.00 H new ATOM 0 HG LEU A 3 5.767 -6.864 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.216 -8.805 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.644 -8.049 2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.905 -9.564 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.821 -8.747 -1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.456 -9.503 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.231 -7.947 -1.342 1.00 0.00 H new ATOM 45 N GLU A 4 4.425 -5.071 4.011 1.00 0.00 N ATOM 46 CA GLU A 4 5.232 -4.767 5.187 1.00 0.00 C ATOM 47 C GLU A 4 4.963 -5.769 6.305 1.00 0.00 C ATOM 48 O GLU A 4 5.465 -6.893 6.279 1.00 0.00 O ATOM 49 CB GLU A 4 4.941 -3.347 5.678 1.00 0.00 C ATOM 50 CG GLU A 4 5.511 -2.263 4.780 1.00 0.00 C ATOM 51 CD GLU A 4 4.789 -0.938 4.933 1.00 0.00 C ATOM 52 OE1 GLU A 4 3.785 -0.893 5.675 1.00 0.00 O ATOM 53 OE2 GLU A 4 5.228 0.053 4.313 1.00 0.00 O ATOM 0 H GLU A 4 3.507 -4.627 4.002 1.00 0.00 H new ATOM 0 HA GLU A 4 6.282 -4.838 4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.862 -3.213 5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.350 -3.228 6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.568 -2.125 5.009 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.450 -2.588 3.741 1.00 0.00 H new ATOM 60 N ILE A 5 4.168 -5.353 7.286 1.00 0.00 N ATOM 61 CA ILE A 5 3.832 -6.214 8.413 1.00 0.00 C ATOM 62 C ILE A 5 2.571 -7.023 8.130 1.00 0.00 C ATOM 63 O ILE A 5 1.620 -6.521 7.530 1.00 0.00 O ATOM 64 CB ILE A 5 3.628 -5.398 9.703 1.00 0.00 C ATOM 65 CG1 ILE A 5 3.550 -6.330 10.915 1.00 0.00 C ATOM 66 CG2 ILE A 5 2.369 -4.550 9.599 1.00 0.00 C ATOM 67 CD1 ILE A 5 4.857 -6.457 11.664 1.00 0.00 C ATOM 0 H ILE A 5 3.745 -4.426 7.323 1.00 0.00 H new ATOM 0 HA ILE A 5 4.672 -6.894 8.553 1.00 0.00 H new ATOM 0 HB ILE A 5 4.482 -4.733 9.834 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.784 -5.962 11.597 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.233 -7.319 10.583 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.238 -3.979 10.518 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.460 -3.865 8.756 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.505 -5.198 9.448 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.728 -7.132 12.510 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.622 -6.854 10.996 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.165 -5.476 12.027 1.00 0.00 H new ATOM 79 N PHE A 6 2.568 -8.277 8.569 1.00 0.00 N ATOM 80 CA PHE A 6 1.422 -9.156 8.364 1.00 0.00 C ATOM 81 C PHE A 6 1.043 -9.220 6.888 1.00 0.00 C ATOM 82 O PHE A 6 -0.072 -9.606 6.537 1.00 0.00 O ATOM 83 CB PHE A 6 0.227 -8.672 9.189 1.00 0.00 C ATOM 84 CG PHE A 6 0.522 -8.549 10.656 1.00 0.00 C ATOM 85 CD1 PHE A 6 0.815 -9.671 11.414 1.00 0.00 C ATOM 86 CD2 PHE A 6 0.505 -7.311 11.279 1.00 0.00 C ATOM 87 CE1 PHE A 6 1.088 -9.562 12.765 1.00 0.00 C ATOM 88 CE2 PHE A 6 0.777 -7.196 12.629 1.00 0.00 C ATOM 89 CZ PHE A 6 1.067 -8.322 13.373 1.00 0.00 C ATOM 0 H PHE A 6 3.346 -8.708 9.069 1.00 0.00 H new ATOM 0 HA PHE A 6 1.700 -10.157 8.693 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.098 -7.703 8.809 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.604 -9.364 9.050 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.830 -10.643 10.944 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.277 -6.426 10.703 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.317 -10.445 13.344 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.763 -6.225 13.102 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.277 -8.234 14.429 1.00 0.00 H new ATOM 99 N LYS A 7 1.979 -8.837 6.026 1.00 0.00 N ATOM 100 CA LYS A 7 1.746 -8.851 4.586 1.00 0.00 C ATOM 101 C LYS A 7 2.387 -10.076 3.943 1.00 0.00 C ATOM 102 O LYS A 7 3.562 -10.364 4.170 1.00 0.00 O ATOM 103 CB LYS A 7 2.300 -7.576 3.947 1.00 0.00 C ATOM 104 CG LYS A 7 1.737 -6.300 4.547 1.00 0.00 C ATOM 105 CD LYS A 7 0.275 -6.461 4.929 1.00 0.00 C ATOM 106 CE LYS A 7 -0.374 -5.119 5.230 1.00 0.00 C ATOM 107 NZ LYS A 7 0.392 -4.348 6.249 1.00 0.00 N ATOM 0 H LYS A 7 2.907 -8.513 6.300 1.00 0.00 H new ATOM 0 HA LYS A 7 0.670 -8.896 4.417 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.385 -7.569 4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.083 -7.591 2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.316 -6.025 5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.839 -5.484 3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.262 -6.952 4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.195 -7.109 5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.445 -4.536 4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.392 -5.279 5.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.267 -3.797 6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.926 -5.005 6.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.053 -3.703 5.771 1.00 0.00 H new ATOM 121 N ALA A 8 1.609 -10.792 3.138 1.00 0.00 N ATOM 122 CA ALA A 8 2.103 -11.984 2.459 1.00 0.00 C ATOM 123 C ALA A 8 3.213 -11.633 1.474 1.00 0.00 C ATOM 124 O ALA A 8 3.137 -10.626 0.770 1.00 0.00 O ATOM 125 CB ALA A 8 0.964 -12.694 1.743 1.00 0.00 C ATOM 0 H ALA A 8 0.634 -10.567 2.940 1.00 0.00 H new ATOM 0 HA ALA A 8 2.518 -12.655 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.347 -13.582 1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.205 -12.987 2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.522 -12.023 1.007 1.00 0.00 H new ATOM 131 N CYS A 9 4.244 -12.470 1.429 1.00 0.00 N ATOM 132 CA CYS A 9 5.371 -12.249 0.531 1.00 0.00 C ATOM 133 C CYS A 9 5.387 -13.287 -0.588 1.00 0.00 C ATOM 134 O CYS A 9 5.091 -14.460 -0.365 1.00 0.00 O ATOM 135 CB CYS A 9 6.688 -12.302 1.308 1.00 0.00 C ATOM 136 SG CYS A 9 6.929 -13.838 2.258 1.00 0.00 S ATOM 0 H CYS A 9 4.322 -13.308 2.005 1.00 0.00 H new ATOM 0 HA CYS A 9 5.259 -11.261 0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.515 -12.187 0.608 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.729 -11.454 1.992 1.00 0.00 H new ATOM 141 N ASN A 10 5.733 -12.844 -1.793 1.00 0.00 N ATOM 142 CA ASN A 10 5.787 -13.734 -2.947 1.00 0.00 C ATOM 143 C ASN A 10 6.958 -14.706 -2.831 1.00 0.00 C ATOM 144 O ASN A 10 7.991 -14.403 -2.234 1.00 0.00 O ATOM 145 CB ASN A 10 5.910 -12.922 -4.238 1.00 0.00 C ATOM 146 CG ASN A 10 4.710 -13.097 -5.148 1.00 0.00 C ATOM 147 OD1 ASN A 10 3.571 -13.157 -4.687 1.00 0.00 O ATOM 148 ND2 ASN A 10 4.962 -13.181 -6.450 1.00 0.00 N ATOM 0 H ASN A 10 5.980 -11.875 -1.995 1.00 0.00 H new ATOM 0 HA ASN A 10 4.862 -14.309 -2.974 1.00 0.00 H new ATOM 0 HB2 ASN A 10 6.024 -11.867 -3.991 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.813 -13.224 -4.769 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.195 -13.300 -7.111 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.923 -13.126 -6.788 1.00 0.00 H new ATOM 155 N PRO A 11 6.794 -15.902 -3.416 1.00 0.00 N ATOM 156 CA PRO A 11 7.827 -16.942 -3.393 1.00 0.00 C ATOM 157 C PRO A 11 9.035 -16.578 -4.250 1.00 0.00 C ATOM 158 O PRO A 11 10.132 -17.097 -4.045 1.00 0.00 O ATOM 159 CB PRO A 11 7.111 -18.165 -3.970 1.00 0.00 C ATOM 160 CG PRO A 11 6.023 -17.603 -4.818 1.00 0.00 C ATOM 161 CD PRO A 11 5.589 -16.330 -4.145 1.00 0.00 C ATOM 0 HA PRO A 11 8.226 -17.098 -2.391 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.792 -18.782 -4.557 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.709 -18.798 -3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.378 -17.408 -5.830 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.192 -18.303 -4.901 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.270 -15.581 -4.870 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.750 -16.498 -3.470 1.00 0.00 H new ATOM 169 N SER A 12 8.825 -15.684 -5.211 1.00 0.00 N ATOM 170 CA SER A 12 9.897 -15.254 -6.101 1.00 0.00 C ATOM 171 C SER A 12 10.626 -14.042 -5.528 1.00 0.00 C ATOM 172 O SER A 12 11.826 -13.870 -5.739 1.00 0.00 O ATOM 173 CB SER A 12 9.335 -14.917 -7.484 1.00 0.00 C ATOM 174 OG SER A 12 9.821 -15.818 -8.465 1.00 0.00 O ATOM 0 H SER A 12 7.923 -15.244 -5.393 1.00 0.00 H new ATOM 0 HA SER A 12 10.609 -16.074 -6.195 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.246 -14.956 -7.457 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.611 -13.897 -7.754 1.00 0.00 H new ATOM 0 HG SER A 12 9.446 -15.583 -9.339 1.00 0.00 H new ATOM 180 N ASN A 13 9.892 -13.206 -4.801 1.00 0.00 N ATOM 181 CA ASN A 13 10.468 -12.010 -4.197 1.00 0.00 C ATOM 182 C ASN A 13 10.943 -12.294 -2.776 1.00 0.00 C ATOM 183 O ASN A 13 12.142 -12.273 -2.495 1.00 0.00 O ATOM 184 CB ASN A 13 9.442 -10.875 -4.187 1.00 0.00 C ATOM 185 CG ASN A 13 10.051 -9.550 -3.769 1.00 0.00 C ATOM 186 OD1 ASN A 13 9.681 -8.981 -2.742 1.00 0.00 O ATOM 187 ND2 ASN A 13 10.990 -9.053 -4.565 1.00 0.00 N ATOM 0 H ASN A 13 8.897 -13.335 -4.616 1.00 0.00 H new ATOM 0 HA ASN A 13 11.328 -11.708 -4.795 1.00 0.00 H new ATOM 0 HB2 ASN A 13 9.006 -10.774 -5.181 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.629 -11.129 -3.507 1.00 0.00 H new ATOM 0 HD21 ASN A 13 11.436 -8.165 -4.335 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.265 -9.559 -5.407 1.00 0.00 H new ATOM 194 N ASP A 14 9.996 -12.560 -1.883 1.00 0.00 N ATOM 195 CA ASP A 14 10.317 -12.849 -0.490 1.00 0.00 C ATOM 196 C ASP A 14 10.985 -11.650 0.174 1.00 0.00 C ATOM 197 O ASP A 14 11.018 -11.546 1.400 1.00 0.00 O ATOM 198 CB ASP A 14 11.231 -14.073 -0.399 1.00 0.00 C ATOM 199 CG ASP A 14 11.260 -14.671 0.994 1.00 0.00 C ATOM 200 OD1 ASP A 14 10.254 -15.294 1.393 1.00 0.00 O ATOM 201 OD2 ASP A 14 12.290 -14.517 1.683 1.00 0.00 O ATOM 0 H ASP A 14 8.999 -12.581 -2.099 1.00 0.00 H new ATOM 0 HA ASP A 14 9.386 -13.060 0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 14 10.894 -14.828 -1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.242 -13.790 -0.691 1.00 0.00 H new ATOM 206 N GLN A 15 11.517 -10.747 -0.644 1.00 0.00 N ATOM 207 CA GLN A 15 12.186 -9.555 -0.134 1.00 0.00 C ATOM 208 C GLN A 15 11.176 -8.567 0.440 1.00 0.00 C ATOM 209 O GLN A 15 10.625 -7.736 -0.283 1.00 0.00 O ATOM 210 CB GLN A 15 12.997 -8.886 -1.245 1.00 0.00 C ATOM 211 CG GLN A 15 14.420 -9.409 -1.359 1.00 0.00 C ATOM 212 CD GLN A 15 15.388 -8.670 -0.456 1.00 0.00 C ATOM 213 OE1 GLN A 15 15.120 -8.471 0.730 1.00 0.00 O ATOM 214 NE2 GLN A 15 16.521 -8.259 -1.013 1.00 0.00 N ATOM 0 H GLN A 15 11.498 -10.818 -1.661 1.00 0.00 H new ATOM 0 HA GLN A 15 12.861 -9.861 0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.487 -9.036 -2.196 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.027 -7.811 -1.065 1.00 0.00 H new ATOM 0 HG2 GLN A 15 14.434 -10.470 -1.109 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.754 -9.320 -2.393 1.00 0.00 H new ATOM 0 HE21 GLN A 15 16.701 -8.446 -1.999 1.00 0.00 H new ATOM 0 HE22 GLN A 15 17.211 -7.757 -0.455 1.00 0.00 H new ATOM 223 N CYS A 16 10.937 -8.664 1.744 1.00 0.00 N ATOM 224 CA CYS A 16 9.992 -7.779 2.416 1.00 0.00 C ATOM 225 C CYS A 16 10.417 -6.321 2.273 1.00 0.00 C ATOM 226 O CYS A 16 11.606 -6.015 2.181 1.00 0.00 O ATOM 227 CB CYS A 16 9.882 -8.147 3.897 1.00 0.00 C ATOM 228 SG CYS A 16 8.215 -7.924 4.596 1.00 0.00 S ATOM 0 H CYS A 16 11.384 -9.346 2.356 1.00 0.00 H new ATOM 0 HA CYS A 16 9.017 -7.903 1.944 1.00 0.00 H new ATOM 0 HB2 CYS A 16 10.182 -9.187 4.025 1.00 0.00 H new ATOM 0 HB3 CYS A 16 10.587 -7.540 4.465 1.00 0.00 H new ATOM 233 N CYS A 17 9.436 -5.424 2.255 1.00 0.00 N ATOM 234 CA CYS A 17 9.706 -3.997 2.123 1.00 0.00 C ATOM 235 C CYS A 17 10.764 -3.549 3.127 1.00 0.00 C ATOM 236 O CYS A 17 10.884 -4.115 4.214 1.00 0.00 O ATOM 237 CB CYS A 17 8.420 -3.193 2.327 1.00 0.00 C ATOM 238 SG CYS A 17 8.304 -1.701 1.288 1.00 0.00 S ATOM 0 H CYS A 17 8.447 -5.660 2.330 1.00 0.00 H new ATOM 0 HA CYS A 17 10.085 -3.815 1.117 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.565 -3.836 2.118 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.350 -2.900 3.374 1.00 0.00 H new ATOM 243 N LYS A 18 11.530 -2.529 2.755 1.00 0.00 N ATOM 244 CA LYS A 18 12.578 -2.002 3.621 1.00 0.00 C ATOM 245 C LYS A 18 11.993 -1.067 4.675 1.00 0.00 C ATOM 246 O LYS A 18 12.717 -0.535 5.517 1.00 0.00 O ATOM 247 CB LYS A 18 13.629 -1.261 2.792 1.00 0.00 C ATOM 248 CG LYS A 18 14.976 -1.143 3.483 1.00 0.00 C ATOM 249 CD LYS A 18 15.726 -2.465 3.472 1.00 0.00 C ATOM 250 CE LYS A 18 16.580 -2.610 2.222 1.00 0.00 C ATOM 251 NZ LYS A 18 15.805 -3.176 1.083 1.00 0.00 N ATOM 0 H LYS A 18 11.444 -2.050 1.858 1.00 0.00 H new ATOM 0 HA LYS A 18 13.052 -2.842 4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.762 -1.779 1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.260 -0.262 2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.575 -0.380 2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.831 -0.815 4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.359 -2.533 4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.014 -3.289 3.526 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.980 -1.636 1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.432 -3.255 2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.442 -3.718 0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.060 -3.803 1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.372 -2.402 0.540 1.00 0.00 H new ATOM 265 N SER A 19 10.679 -0.872 4.623 1.00 0.00 N ATOM 266 CA SER A 19 9.998 0.002 5.572 1.00 0.00 C ATOM 267 C SER A 19 10.194 -0.492 7.002 1.00 0.00 C ATOM 268 O SER A 19 10.094 0.279 7.956 1.00 0.00 O ATOM 269 CB SER A 19 8.505 0.078 5.246 1.00 0.00 C ATOM 270 OG SER A 19 7.762 0.533 6.363 1.00 0.00 O ATOM 0 H SER A 19 10.065 -1.307 3.934 1.00 0.00 H new ATOM 0 HA SER A 19 10.432 0.998 5.488 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.348 0.750 4.402 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.145 -0.905 4.942 1.00 0.00 H new ATOM 0 HG SER A 19 6.842 0.727 6.087 1.00 0.00 H new ATOM 276 N SER A 20 10.473 -1.784 7.142 1.00 0.00 N ATOM 277 CA SER A 20 10.679 -2.384 8.455 1.00 0.00 C ATOM 278 C SER A 20 11.458 -3.690 8.340 1.00 0.00 C ATOM 279 O SER A 20 11.367 -4.395 7.335 1.00 0.00 O ATOM 280 CB SER A 20 9.334 -2.637 9.140 1.00 0.00 C ATOM 281 OG SER A 20 9.346 -2.165 10.476 1.00 0.00 O ATOM 0 H SER A 20 10.562 -2.435 6.362 1.00 0.00 H new ATOM 0 HA SER A 20 11.261 -1.687 9.058 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.539 -2.141 8.583 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.112 -3.704 9.130 1.00 0.00 H new ATOM 0 HG SER A 20 8.475 -2.337 10.891 1.00 0.00 H new ATOM 287 N LYS A 21 12.225 -4.007 9.377 1.00 0.00 N ATOM 288 CA LYS A 21 13.021 -5.229 9.396 1.00 0.00 C ATOM 289 C LYS A 21 12.139 -6.449 9.642 1.00 0.00 C ATOM 290 O LYS A 21 12.156 -7.031 10.728 1.00 0.00 O ATOM 291 CB LYS A 21 14.102 -5.142 10.475 1.00 0.00 C ATOM 292 CG LYS A 21 15.315 -6.011 10.193 1.00 0.00 C ATOM 293 CD LYS A 21 16.050 -6.375 11.472 1.00 0.00 C ATOM 294 CE LYS A 21 16.826 -5.190 12.026 1.00 0.00 C ATOM 295 NZ LYS A 21 15.987 -4.349 12.924 1.00 0.00 N ATOM 0 H LYS A 21 12.313 -3.434 10.216 1.00 0.00 H new ATOM 0 HA LYS A 21 13.497 -5.337 8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 21 14.423 -4.105 10.573 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.671 -5.434 11.433 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.001 -6.921 9.681 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.992 -5.485 9.520 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.335 -6.723 12.217 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.735 -7.200 11.277 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.696 -5.550 12.574 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.198 -4.582 11.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.587 -3.917 13.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.526 -3.601 12.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.262 -4.941 13.377 1.00 0.00 H new ATOM 309 N LEU A 22 11.371 -6.832 8.629 1.00 0.00 N ATOM 310 CA LEU A 22 10.483 -7.985 8.735 1.00 0.00 C ATOM 311 C LEU A 22 11.010 -9.156 7.912 1.00 0.00 C ATOM 312 O LEU A 22 11.672 -8.964 6.892 1.00 0.00 O ATOM 313 CB LEU A 22 9.074 -7.613 8.269 1.00 0.00 C ATOM 314 CG LEU A 22 8.468 -6.359 8.899 1.00 0.00 C ATOM 315 CD1 LEU A 22 7.610 -5.614 7.888 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.651 -6.722 10.131 1.00 0.00 C ATOM 0 H LEU A 22 11.345 -6.361 7.724 1.00 0.00 H new ATOM 0 HA LEU A 22 10.445 -8.288 9.781 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.094 -7.478 7.188 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.412 -8.454 8.473 1.00 0.00 H new ATOM 0 HG LEU A 22 9.281 -5.702 9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.187 -4.724 8.355 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.224 -5.320 7.036 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.803 -6.263 7.547 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.227 -5.817 10.566 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.846 -7.399 9.847 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.294 -7.210 10.863 1.00 0.00 H new ATOM 328 N VAL A 23 10.711 -10.371 8.361 1.00 0.00 N ATOM 329 CA VAL A 23 11.151 -11.574 7.665 1.00 0.00 C ATOM 330 C VAL A 23 9.999 -12.555 7.479 1.00 0.00 C ATOM 331 O VAL A 23 9.095 -12.632 8.312 1.00 0.00 O ATOM 332 CB VAL A 23 12.292 -12.276 8.425 1.00 0.00 C ATOM 333 CG1 VAL A 23 12.803 -13.471 7.635 1.00 0.00 C ATOM 334 CG2 VAL A 23 13.420 -11.297 8.716 1.00 0.00 C ATOM 0 H VAL A 23 10.165 -10.548 9.204 1.00 0.00 H new ATOM 0 HA VAL A 23 11.516 -11.258 6.688 1.00 0.00 H new ATOM 0 HB VAL A 23 11.902 -12.639 9.376 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.609 -13.955 8.187 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.990 -14.181 7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.177 -13.135 6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.218 -11.810 9.253 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.810 -10.902 7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.041 -10.476 9.325 1.00 0.00 H new ATOM 344 N CYS A 24 10.037 -13.303 6.382 1.00 0.00 N ATOM 345 CA CYS A 24 8.997 -14.281 6.086 1.00 0.00 C ATOM 346 C CYS A 24 9.588 -15.517 5.414 1.00 0.00 C ATOM 347 O CYS A 24 8.885 -16.259 4.728 1.00 0.00 O ATOM 348 CB CYS A 24 7.927 -13.660 5.186 1.00 0.00 C ATOM 349 SG CYS A 24 8.463 -13.396 3.465 1.00 0.00 S ATOM 0 H CYS A 24 10.777 -13.251 5.682 1.00 0.00 H new ATOM 0 HA CYS A 24 8.540 -14.585 7.027 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.048 -14.305 5.187 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.621 -12.704 5.610 1.00 0.00 H new ATOM 354 N SER A 25 10.883 -15.732 5.618 1.00 0.00 N ATOM 355 CA SER A 25 11.570 -16.876 5.029 1.00 0.00 C ATOM 356 C SER A 25 10.970 -18.186 5.531 1.00 0.00 C ATOM 357 O SER A 25 10.233 -18.860 4.812 1.00 0.00 O ATOM 358 CB SER A 25 13.063 -16.826 5.359 1.00 0.00 C ATOM 359 OG SER A 25 13.279 -16.352 6.676 1.00 0.00 O ATOM 0 H SER A 25 11.478 -15.129 6.187 1.00 0.00 H new ATOM 0 HA SER A 25 11.443 -16.829 3.948 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.496 -17.821 5.252 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.574 -16.178 4.647 1.00 0.00 H new ATOM 0 HG SER A 25 14.241 -16.331 6.863 1.00 0.00 H new ATOM 365 N ARG A 26 11.293 -18.541 6.771 1.00 0.00 N ATOM 366 CA ARG A 26 10.789 -19.770 7.370 1.00 0.00 C ATOM 367 C ARG A 26 9.569 -19.489 8.243 1.00 0.00 C ATOM 368 O ARG A 26 8.778 -20.387 8.532 1.00 0.00 O ATOM 369 CB ARG A 26 11.881 -20.443 8.203 1.00 0.00 C ATOM 370 CG ARG A 26 12.160 -19.742 9.522 1.00 0.00 C ATOM 371 CD ARG A 26 13.638 -19.789 9.877 1.00 0.00 C ATOM 372 NE ARG A 26 13.883 -20.547 11.101 1.00 0.00 N ATOM 373 CZ ARG A 26 13.954 -21.873 11.142 1.00 0.00 C ATOM 374 NH1 ARG A 26 13.799 -22.584 10.034 1.00 0.00 N ATOM 375 NH2 ARG A 26 14.181 -22.491 12.295 1.00 0.00 N ATOM 0 H ARG A 26 11.902 -17.994 7.380 1.00 0.00 H new ATOM 0 HA ARG A 26 10.491 -20.441 6.564 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.589 -21.474 8.404 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.801 -20.480 7.619 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.833 -18.704 9.460 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.579 -20.213 10.315 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.194 -20.239 9.055 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.014 -18.773 9.998 1.00 0.00 H new ATOM 0 HE ARG A 26 14.006 -20.030 11.972 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.625 -22.113 9.146 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.854 -23.602 10.069 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.301 -21.948 13.150 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.235 -23.509 12.326 1.00 0.00 H new ATOM 389 N LYS A 27 9.424 -18.236 8.661 1.00 0.00 N ATOM 390 CA LYS A 27 8.301 -17.835 9.500 1.00 0.00 C ATOM 391 C LYS A 27 6.979 -17.999 8.757 1.00 0.00 C ATOM 392 O LYS A 27 6.917 -18.656 7.717 1.00 0.00 O ATOM 393 CB LYS A 27 8.469 -16.382 9.951 1.00 0.00 C ATOM 394 CG LYS A 27 8.131 -16.156 11.414 1.00 0.00 C ATOM 395 CD LYS A 27 9.373 -16.205 12.288 1.00 0.00 C ATOM 396 CE LYS A 27 10.021 -14.834 12.413 1.00 0.00 C ATOM 397 NZ LYS A 27 11.127 -14.652 11.432 1.00 0.00 N ATOM 0 H LYS A 27 10.070 -17.481 8.432 1.00 0.00 H new ATOM 0 HA LYS A 27 8.286 -18.482 10.377 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.499 -16.072 9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.833 -15.744 9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.642 -15.189 11.530 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.422 -16.914 11.746 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.108 -16.575 13.278 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.089 -16.910 11.865 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.268 -14.061 12.259 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.407 -14.706 13.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.929 -14.179 11.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.431 -15.580 11.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.794 -14.069 10.638 1.00 0.00 H new ATOM 411 N THR A 28 5.924 -17.395 9.295 1.00 0.00 N ATOM 412 CA THR A 28 4.604 -17.474 8.682 1.00 0.00 C ATOM 413 C THR A 28 4.617 -16.897 7.271 1.00 0.00 C ATOM 414 O THR A 28 5.561 -16.210 6.881 1.00 0.00 O ATOM 415 CB THR A 28 3.550 -16.726 9.520 1.00 0.00 C ATOM 416 OG1 THR A 28 4.133 -15.561 10.114 1.00 0.00 O ATOM 417 CG2 THR A 28 2.985 -17.627 10.608 1.00 0.00 C ATOM 0 H THR A 28 5.958 -16.846 10.154 1.00 0.00 H new ATOM 0 HA THR A 28 4.340 -18.530 8.637 1.00 0.00 H new ATOM 0 HB THR A 28 2.737 -16.428 8.858 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.445 -14.872 10.227 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.243 -17.077 11.187 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.516 -18.499 10.151 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.791 -17.952 11.266 1.00 0.00 H new ATOM 425 N ARG A 29 3.565 -17.181 6.511 1.00 0.00 N ATOM 426 CA ARG A 29 3.457 -16.690 5.142 1.00 0.00 C ATOM 427 C ARG A 29 3.485 -15.165 5.108 1.00 0.00 C ATOM 428 O ARG A 29 3.768 -14.563 4.072 1.00 0.00 O ATOM 429 CB ARG A 29 2.168 -17.202 4.495 1.00 0.00 C ATOM 430 CG ARG A 29 2.313 -18.569 3.848 1.00 0.00 C ATOM 431 CD ARG A 29 1.035 -18.989 3.140 1.00 0.00 C ATOM 432 NE ARG A 29 0.726 -18.120 2.008 1.00 0.00 N ATOM 433 CZ ARG A 29 1.383 -18.154 0.854 1.00 0.00 C ATOM 434 NH1 ARG A 29 2.380 -19.010 0.680 1.00 0.00 N ATOM 435 NH2 ARG A 29 1.042 -17.331 -0.129 1.00 0.00 N ATOM 0 H ARG A 29 2.775 -17.748 6.819 1.00 0.00 H new ATOM 0 HA ARG A 29 4.312 -17.064 4.579 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.385 -17.249 5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.840 -16.486 3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.136 -18.549 3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.568 -19.307 4.608 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.135 -20.017 2.791 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.206 -18.971 3.847 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.036 -17.450 2.109 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.644 -19.645 1.433 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.883 -19.034 -0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.275 -16.671 0.001 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.547 -17.358 -1.015 1.00 0.00 H new ATOM 449 N TRP A 30 3.189 -14.547 6.246 1.00 0.00 N ATOM 450 CA TRP A 30 3.180 -13.092 6.345 1.00 0.00 C ATOM 451 C TRP A 30 4.438 -12.587 7.043 1.00 0.00 C ATOM 452 O TRP A 30 4.945 -13.222 7.968 1.00 0.00 O ATOM 453 CB TRP A 30 1.937 -12.620 7.102 1.00 0.00 C ATOM 454 CG TRP A 30 1.860 -13.145 8.503 1.00 0.00 C ATOM 455 CD1 TRP A 30 2.434 -12.600 9.616 1.00 0.00 C ATOM 456 CD2 TRP A 30 1.168 -14.320 8.941 1.00 0.00 C ATOM 457 NE1 TRP A 30 2.142 -13.366 10.719 1.00 0.00 N ATOM 458 CE2 TRP A 30 1.366 -14.426 10.332 1.00 0.00 C ATOM 459 CE3 TRP A 30 0.400 -15.292 8.294 1.00 0.00 C ATOM 460 CZ2 TRP A 30 0.825 -15.465 11.083 1.00 0.00 C ATOM 461 CZ3 TRP A 30 -0.137 -16.323 9.041 1.00 0.00 C ATOM 462 CH2 TRP A 30 0.077 -16.403 10.424 1.00 0.00 C ATOM 0 H TRP A 30 2.952 -15.030 7.112 1.00 0.00 H new ATOM 0 HA TRP A 30 3.159 -12.683 5.335 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.929 -11.530 7.129 1.00 0.00 H new ATOM 0 HB3 TRP A 30 1.047 -12.932 6.555 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.030 -11.699 9.628 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.453 -13.176 11.672 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.229 -15.238 7.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 0.990 -15.529 12.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.732 -17.080 8.551 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -0.357 -17.221 10.980 1.00 0.00 H new ATOM 473 N CYS A 31 4.937 -11.439 6.596 1.00 0.00 N ATOM 474 CA CYS A 31 6.136 -10.848 7.177 1.00 0.00 C ATOM 475 C CYS A 31 5.933 -10.555 8.661 1.00 0.00 C ATOM 476 O CYS A 31 4.954 -9.919 9.052 1.00 0.00 O ATOM 477 CB CYS A 31 6.505 -9.561 6.438 1.00 0.00 C ATOM 478 SG CYS A 31 7.638 -9.809 5.033 1.00 0.00 S ATOM 0 H CYS A 31 4.529 -10.900 5.833 1.00 0.00 H new ATOM 0 HA CYS A 31 6.951 -11.565 7.074 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.592 -9.088 6.076 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.964 -8.869 7.143 1.00 0.00 H new ATOM 483 N LYS A 32 6.866 -11.023 9.484 1.00 0.00 N ATOM 484 CA LYS A 32 6.792 -10.810 10.924 1.00 0.00 C ATOM 485 C LYS A 32 8.117 -10.282 11.465 1.00 0.00 C ATOM 486 O LYS A 32 9.182 -10.580 10.924 1.00 0.00 O ATOM 487 CB LYS A 32 6.424 -12.115 11.635 1.00 0.00 C ATOM 488 CG LYS A 32 4.927 -12.359 11.721 1.00 0.00 C ATOM 489 CD LYS A 32 4.535 -12.956 13.062 1.00 0.00 C ATOM 490 CE LYS A 32 3.439 -12.145 13.735 1.00 0.00 C ATOM 491 NZ LYS A 32 2.501 -13.010 14.504 1.00 0.00 N ATOM 0 H LYS A 32 7.682 -11.552 9.178 1.00 0.00 H new ATOM 0 HA LYS A 32 6.018 -10.067 11.116 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.890 -12.949 11.110 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.840 -12.100 12.642 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.395 -11.419 11.571 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.620 -13.031 10.919 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.194 -13.981 12.919 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.409 -12.998 13.712 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.889 -11.412 14.405 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.884 -11.588 12.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.769 -12.420 14.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.052 -13.693 13.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.026 -13.522 15.241 1.00 0.00 H new ATOM 505 N TYR A 33 8.043 -9.497 12.534 1.00 0.00 N ATOM 506 CA TYR A 33 9.237 -8.927 13.147 1.00 0.00 C ATOM 507 C TYR A 33 10.066 -10.007 13.834 1.00 0.00 C ATOM 508 O TYR A 33 9.530 -11.006 14.312 1.00 0.00 O ATOM 509 CB TYR A 33 8.849 -7.846 14.158 1.00 0.00 C ATOM 510 CG TYR A 33 7.765 -8.276 15.119 1.00 0.00 C ATOM 511 CD1 TYR A 33 8.002 -9.263 16.068 1.00 0.00 C ATOM 512 CD2 TYR A 33 6.502 -7.697 15.078 1.00 0.00 C ATOM 513 CE1 TYR A 33 7.014 -9.660 16.948 1.00 0.00 C ATOM 514 CE2 TYR A 33 5.509 -8.087 15.955 1.00 0.00 C ATOM 515 CZ TYR A 33 5.769 -9.069 16.888 1.00 0.00 C ATOM 516 OH TYR A 33 4.782 -9.462 17.762 1.00 0.00 O ATOM 0 H TYR A 33 7.169 -9.241 12.994 1.00 0.00 H new ATOM 0 HA TYR A 33 9.841 -8.479 12.358 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.733 -7.558 14.726 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.514 -6.960 13.619 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.976 -9.728 16.118 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.294 -6.929 14.348 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.215 -10.429 17.679 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.534 -7.625 15.910 1.00 0.00 H new ATOM 0 HH TYR A 33 3.967 -8.947 17.588 1.00 0.00 H new ATOM 526 N GLN A 34 11.378 -9.797 13.879 1.00 0.00 N ATOM 527 CA GLN A 34 12.283 -10.753 14.507 1.00 0.00 C ATOM 528 C GLN A 34 12.228 -10.636 16.027 1.00 0.00 C ATOM 529 O GLN A 34 12.322 -9.539 16.578 1.00 0.00 O ATOM 530 CB GLN A 34 13.714 -10.530 14.017 1.00 0.00 C ATOM 531 CG GLN A 34 13.983 -11.109 12.638 1.00 0.00 C ATOM 532 CD GLN A 34 14.437 -12.555 12.690 1.00 0.00 C ATOM 533 OE1 GLN A 34 13.869 -13.420 12.024 1.00 0.00 O ATOM 534 NE2 GLN A 34 15.467 -12.824 13.484 1.00 0.00 N ATOM 0 H GLN A 34 11.838 -8.974 13.489 1.00 0.00 H new ATOM 0 HA GLN A 34 11.964 -11.757 14.227 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.920 -9.460 13.999 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.407 -10.976 14.730 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.077 -11.038 12.035 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.745 -10.511 12.139 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.908 -12.076 14.018 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.817 -13.779 13.559 1.00 0.00 H new ATOM 543 N ILE A 35 12.076 -11.773 16.698 1.00 0.00 N ATOM 544 CA ILE A 35 12.011 -11.798 18.153 1.00 0.00 C ATOM 545 C ILE A 35 12.500 -13.133 18.704 1.00 0.00 C ATOM 546 O ILE A 35 12.671 -14.098 17.959 1.00 0.00 O ATOM 547 CB ILE A 35 10.577 -11.543 18.656 1.00 0.00 C ATOM 548 CG1 ILE A 35 9.559 -12.169 17.701 1.00 0.00 C ATOM 549 CG2 ILE A 35 10.325 -10.049 18.803 1.00 0.00 C ATOM 550 CD1 ILE A 35 9.735 -13.661 17.523 1.00 0.00 C ATOM 0 H ILE A 35 11.996 -12.689 16.256 1.00 0.00 H new ATOM 0 HA ILE A 35 12.662 -11.000 18.511 1.00 0.00 H new ATOM 0 HB ILE A 35 10.463 -12.009 19.635 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.554 -11.972 18.074 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.639 -11.683 16.728 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.308 -9.885 19.159 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.032 -9.629 19.519 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.454 -9.561 17.837 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.979 -14.037 16.833 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.727 -13.865 17.120 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.625 -14.158 18.487 1.00 0.00 H new TER 562 ILE A 35