USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 245 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 9 GLN : amide:sc= 0.357 K(o=-0.56,f=-12!) USER MOD Set 1.2: A 13 SER OG : rot -177:sc= -0.92 USER MOD Single : A 1 CYS N :NH3+ -109:sc= 0.0914 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 169:sc=-0.00128 (180deg=-0.0983) USER MOD Single : A 4 ASN : amide:sc= -1.22 K(o=-1.2,f=-4.6!) USER MOD Single : A 6 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.2) USER MOD Single : A 11 ASN : amide:sc= -0.0388 K(o=-0.039,f=-1.1) USER MOD Single : A 14 GLN : amide:sc= -0.0358 X(o=-0.036,f=-0.036) USER MOD Single : A 16 ASN : amide:sc= -0.0204 K(o=-0.02,f=-3.1!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.0739 X(o=-0.074,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.916 K(o=-0.92,f=-2.9!) USER MOD Single : A 32 TYR OH : rot -74:sc= 0.943 USER MOD Single : A 36 LYS NZ :NH3+ 169:sc=-0.00745 (180deg=-0.135) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 5.419 -7.452 2.154 1.00 0.00 N ATOM 2 CA CYS A 1 4.381 -7.204 1.131 1.00 0.00 C ATOM 3 C CYS A 1 3.150 -8.050 1.421 1.00 0.00 C ATOM 4 O CYS A 1 3.257 -9.091 2.066 1.00 0.00 O ATOM 5 CB CYS A 1 4.953 -7.551 -0.247 1.00 0.00 C ATOM 6 SG CYS A 1 3.895 -7.041 -1.645 1.00 0.00 S ATOM 0 H1 CYS A 1 5.508 -6.617 2.768 1.00 0.00 H new ATOM 0 H2 CYS A 1 5.151 -8.277 2.728 1.00 0.00 H new ATOM 0 H3 CYS A 1 6.330 -7.636 1.687 1.00 0.00 H new ATOM 0 HA CYS A 1 4.087 -6.155 1.150 1.00 0.00 H new ATOM 0 HB2 CYS A 1 5.929 -7.078 -0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 1 5.113 -8.628 -0.301 1.00 0.00 H new ATOM 13 N ILE A 2 1.983 -7.588 0.954 1.00 0.00 N ATOM 14 CA ILE A 2 0.713 -8.292 1.168 1.00 0.00 C ATOM 15 C ILE A 2 0.244 -8.115 2.613 1.00 0.00 C ATOM 16 O ILE A 2 1.064 -7.993 3.525 1.00 0.00 O ATOM 17 CB ILE A 2 0.813 -9.805 0.828 1.00 0.00 C ATOM 18 CG1 ILE A 2 1.379 -9.999 -0.581 1.00 0.00 C ATOM 19 CG2 ILE A 2 -0.550 -10.476 0.941 1.00 0.00 C ATOM 20 CD1 ILE A 2 1.676 -11.444 -0.924 1.00 0.00 C ATOM 0 H ILE A 2 1.893 -6.723 0.421 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.016 -7.849 0.489 1.00 0.00 H new ATOM 0 HB ILE A 2 1.488 -10.270 1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.669 -9.601 -1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.295 -9.416 -0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.456 -11.534 0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.925 -10.369 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.246 -10.005 0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.074 -11.503 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.410 -11.841 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.759 -12.029 -0.860 1.00 0.00 H new ATOM 32 N LYS A 3 -1.080 -8.077 2.798 1.00 0.00 N ATOM 33 CA LYS A 3 -1.701 -7.894 4.112 1.00 0.00 C ATOM 34 C LYS A 3 -1.577 -6.442 4.562 1.00 0.00 C ATOM 35 O LYS A 3 -0.624 -5.740 4.204 1.00 0.00 O ATOM 36 CB LYS A 3 -1.106 -8.841 5.162 1.00 0.00 C ATOM 37 CG LYS A 3 -1.292 -10.314 4.827 1.00 0.00 C ATOM 38 CD LYS A 3 -0.611 -11.213 5.846 1.00 0.00 C ATOM 39 CE LYS A 3 -1.281 -11.129 7.209 1.00 0.00 C ATOM 40 NZ LYS A 3 -2.641 -11.730 7.204 1.00 0.00 N ATOM 0 H LYS A 3 -1.752 -8.173 2.037 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.758 -8.142 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.041 -8.632 5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.567 -8.635 6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.356 -10.547 4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.887 -10.516 3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.633 -12.244 5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.437 -10.929 5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.663 -11.639 7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.348 -10.085 7.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.984 -11.820 8.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.288 -11.120 6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.603 -12.671 6.762 1.00 0.00 H new ATOM 54 N ASN A 4 -2.564 -5.990 5.318 1.00 0.00 N ATOM 55 CA ASN A 4 -2.601 -4.614 5.798 1.00 0.00 C ATOM 56 C ASN A 4 -1.383 -4.292 6.646 1.00 0.00 C ATOM 57 O ASN A 4 -0.951 -5.102 7.471 1.00 0.00 O ATOM 58 CB ASN A 4 -3.872 -4.362 6.611 1.00 0.00 C ATOM 59 CG ASN A 4 -5.130 -4.380 5.768 1.00 0.00 C ATOM 60 OD1 ASN A 4 -5.466 -3.401 5.105 1.00 0.00 O ATOM 61 ND2 ASN A 4 -5.826 -5.502 5.773 1.00 0.00 N ATOM 0 H ASN A 4 -3.357 -6.559 5.615 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.597 -3.962 4.924 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.953 -5.119 7.391 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.791 -3.397 7.111 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.675 -5.578 5.213 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.514 -6.293 6.337 1.00 0.00 H new ATOM 68 N GLY A 5 -0.832 -3.111 6.434 1.00 0.00 N ATOM 69 CA GLY A 5 0.333 -2.685 7.174 1.00 0.00 C ATOM 70 C GLY A 5 1.366 -2.057 6.270 1.00 0.00 C ATOM 71 O GLY A 5 1.898 -0.987 6.567 1.00 0.00 O ATOM 0 H GLY A 5 -1.175 -2.432 5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.036 -1.969 7.941 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.771 -3.540 7.689 1.00 0.00 H new ATOM 75 N ASN A 6 1.636 -2.727 5.158 1.00 0.00 N ATOM 76 CA ASN A 6 2.604 -2.251 4.177 1.00 0.00 C ATOM 77 C ASN A 6 2.156 -0.929 3.569 1.00 0.00 C ATOM 78 O ASN A 6 1.044 -0.820 3.053 1.00 0.00 O ATOM 79 CB ASN A 6 2.796 -3.312 3.083 1.00 0.00 C ATOM 80 CG ASN A 6 3.640 -2.837 1.909 1.00 0.00 C ATOM 81 OD1 ASN A 6 3.213 -2.008 1.107 1.00 0.00 O ATOM 82 ND2 ASN A 6 4.847 -3.366 1.795 1.00 0.00 N ATOM 0 H ASN A 6 1.193 -3.612 4.910 1.00 0.00 H new ATOM 0 HA ASN A 6 3.557 -2.081 4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.264 -4.193 3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.818 -3.621 2.714 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.455 -3.089 1.024 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.170 -4.051 2.478 1.00 0.00 H new ATOM 89 N GLY A 7 3.035 0.061 3.627 1.00 0.00 N ATOM 90 CA GLY A 7 2.737 1.368 3.071 1.00 0.00 C ATOM 91 C GLY A 7 2.909 1.376 1.571 1.00 0.00 C ATOM 92 O GLY A 7 3.921 1.853 1.053 1.00 0.00 O ATOM 0 H GLY A 7 3.958 -0.018 4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.715 1.649 3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.393 2.115 3.519 1.00 0.00 H new ATOM 96 N CYS A 8 1.939 0.814 0.883 1.00 0.00 N ATOM 97 CA CYS A 8 1.978 0.714 -0.566 1.00 0.00 C ATOM 98 C CYS A 8 1.828 2.073 -1.230 1.00 0.00 C ATOM 99 O CYS A 8 2.543 2.389 -2.178 1.00 0.00 O ATOM 100 CB CYS A 8 0.883 -0.235 -1.059 1.00 0.00 C ATOM 101 SG CYS A 8 -0.801 0.204 -0.512 1.00 0.00 S ATOM 0 H CYS A 8 1.102 0.414 1.307 1.00 0.00 H new ATOM 0 HA CYS A 8 2.954 0.316 -0.843 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.903 -0.258 -2.149 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.112 -1.244 -0.715 1.00 0.00 H new ATOM 106 N GLN A 9 0.893 2.871 -0.746 1.00 0.00 N ATOM 107 CA GLN A 9 0.653 4.180 -1.325 1.00 0.00 C ATOM 108 C GLN A 9 0.645 5.268 -0.263 1.00 0.00 C ATOM 109 O GLN A 9 -0.415 5.678 0.195 1.00 0.00 O ATOM 110 CB GLN A 9 -0.680 4.174 -2.079 1.00 0.00 C ATOM 111 CG GLN A 9 -0.902 5.397 -2.952 1.00 0.00 C ATOM 112 CD GLN A 9 -0.036 5.400 -4.193 1.00 0.00 C ATOM 113 OE1 GLN A 9 1.188 5.344 -4.112 1.00 0.00 O ATOM 114 NE2 GLN A 9 -0.669 5.470 -5.351 1.00 0.00 N ATOM 0 H GLN A 9 0.290 2.637 0.043 1.00 0.00 H new ATOM 0 HA GLN A 9 1.466 4.398 -2.018 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.729 3.281 -2.703 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.494 4.103 -1.357 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.950 5.441 -3.247 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.696 6.295 -2.370 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.688 5.515 -5.373 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.139 5.479 -6.222 1.00 0.00 H new ATOM 123 N PRO A 10 1.823 5.758 0.146 1.00 0.00 N ATOM 124 CA PRO A 10 1.928 6.818 1.152 1.00 0.00 C ATOM 125 C PRO A 10 1.167 8.068 0.711 1.00 0.00 C ATOM 126 O PRO A 10 0.455 8.688 1.498 1.00 0.00 O ATOM 127 CB PRO A 10 3.431 7.097 1.237 1.00 0.00 C ATOM 128 CG PRO A 10 4.074 5.858 0.718 1.00 0.00 C ATOM 129 CD PRO A 10 3.145 5.330 -0.337 1.00 0.00 C ATOM 0 HA PRO A 10 1.498 6.530 2.111 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.707 7.966 0.640 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.738 7.303 2.262 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.058 6.073 0.301 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.217 5.128 1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.371 5.746 -1.319 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.211 4.246 -0.427 1.00 0.00 H new ATOM 137 N ASN A 11 1.306 8.411 -0.564 1.00 0.00 N ATOM 138 CA ASN A 11 0.618 9.567 -1.127 1.00 0.00 C ATOM 139 C ASN A 11 0.596 9.496 -2.649 1.00 0.00 C ATOM 140 O ASN A 11 -0.351 9.962 -3.283 1.00 0.00 O ATOM 141 CB ASN A 11 1.246 10.889 -0.650 1.00 0.00 C ATOM 142 CG ASN A 11 2.726 11.016 -0.967 1.00 0.00 C ATOM 143 OD1 ASN A 11 3.125 11.135 -2.126 1.00 0.00 O ATOM 144 ND2 ASN A 11 3.549 10.990 0.068 1.00 0.00 N ATOM 0 H ASN A 11 1.890 7.904 -1.229 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.411 9.544 -0.767 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.713 11.720 -1.111 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.106 10.979 0.427 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.555 11.070 -0.078 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.177 10.890 1.013 1.00 0.00 H new ATOM 151 N GLY A 12 1.632 8.910 -3.234 1.00 0.00 N ATOM 152 CA GLY A 12 1.689 8.801 -4.679 1.00 0.00 C ATOM 153 C GLY A 12 2.969 8.156 -5.172 1.00 0.00 C ATOM 154 O GLY A 12 3.680 8.729 -6.001 1.00 0.00 O ATOM 0 H GLY A 12 2.429 8.511 -2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.837 8.218 -5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.597 9.795 -5.117 1.00 0.00 H new ATOM 158 N SER A 13 3.261 6.964 -4.676 1.00 0.00 N ATOM 159 CA SER A 13 4.451 6.241 -5.081 1.00 0.00 C ATOM 160 C SER A 13 4.127 5.258 -6.196 1.00 0.00 C ATOM 161 O SER A 13 4.705 5.339 -7.285 1.00 0.00 O ATOM 162 CB SER A 13 5.059 5.512 -3.881 1.00 0.00 C ATOM 163 OG SER A 13 4.080 4.742 -3.203 1.00 0.00 O ATOM 0 H SER A 13 2.686 6.477 -3.989 1.00 0.00 H new ATOM 0 HA SER A 13 5.181 6.957 -5.460 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.868 4.863 -4.217 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.496 6.237 -3.194 1.00 0.00 H new ATOM 0 HG SER A 13 4.482 4.323 -2.414 1.00 0.00 H new ATOM 169 N GLN A 14 3.198 4.343 -5.920 1.00 0.00 N ATOM 170 CA GLN A 14 2.786 3.338 -6.890 1.00 0.00 C ATOM 171 C GLN A 14 1.772 2.368 -6.287 1.00 0.00 C ATOM 172 O GLN A 14 0.766 2.042 -6.916 1.00 0.00 O ATOM 173 CB GLN A 14 4.008 2.560 -7.393 1.00 0.00 C ATOM 174 CG GLN A 14 3.677 1.402 -8.314 1.00 0.00 C ATOM 175 CD GLN A 14 2.844 1.817 -9.511 1.00 0.00 C ATOM 176 OE1 GLN A 14 3.232 2.693 -10.282 1.00 0.00 O ATOM 177 NE2 GLN A 14 1.689 1.195 -9.675 1.00 0.00 N ATOM 0 H GLN A 14 2.715 4.280 -5.024 1.00 0.00 H new ATOM 0 HA GLN A 14 2.312 3.854 -7.725 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.671 3.248 -7.918 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.560 2.179 -6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.604 0.946 -8.663 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.139 0.639 -7.751 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.400 0.473 -9.015 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.087 1.437 -10.462 1.00 0.00 H new ATOM 186 N GLY A 15 2.053 1.886 -5.084 1.00 0.00 N ATOM 187 CA GLY A 15 1.166 0.927 -4.453 1.00 0.00 C ATOM 188 C GLY A 15 1.430 -0.461 -4.990 1.00 0.00 C ATOM 189 O GLY A 15 0.531 -1.132 -5.497 1.00 0.00 O ATOM 0 H GLY A 15 2.875 2.140 -4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.313 0.941 -3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.128 1.205 -4.637 1.00 0.00 H new ATOM 193 N ASN A 16 2.691 -0.863 -4.919 1.00 0.00 N ATOM 194 CA ASN A 16 3.140 -2.153 -5.437 1.00 0.00 C ATOM 195 C ASN A 16 2.763 -3.345 -4.545 1.00 0.00 C ATOM 196 O ASN A 16 3.619 -4.156 -4.183 1.00 0.00 O ATOM 197 CB ASN A 16 4.660 -2.119 -5.674 1.00 0.00 C ATOM 198 CG ASN A 16 5.472 -1.958 -4.396 1.00 0.00 C ATOM 199 OD1 ASN A 16 5.285 -1.009 -3.632 1.00 0.00 O ATOM 200 ND2 ASN A 16 6.394 -2.882 -4.165 1.00 0.00 N ATOM 0 H ASN A 16 3.435 -0.305 -4.500 1.00 0.00 H new ATOM 0 HA ASN A 16 2.615 -2.309 -6.380 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.962 -3.040 -6.173 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.896 -1.297 -6.350 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.978 -2.822 -3.331 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.519 -3.653 -4.821 1.00 0.00 H new ATOM 207 N CYS A 17 1.482 -3.491 -4.228 1.00 0.00 N ATOM 208 CA CYS A 17 1.042 -4.630 -3.431 1.00 0.00 C ATOM 209 C CYS A 17 1.140 -5.901 -4.277 1.00 0.00 C ATOM 210 O CYS A 17 0.780 -5.902 -5.452 1.00 0.00 O ATOM 211 CB CYS A 17 -0.386 -4.430 -2.910 1.00 0.00 C ATOM 212 SG CYS A 17 -0.528 -3.234 -1.541 1.00 0.00 S ATOM 0 H CYS A 17 0.741 -2.847 -4.505 1.00 0.00 H new ATOM 0 HA CYS A 17 1.691 -4.723 -2.560 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.017 -4.097 -3.734 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.777 -5.392 -2.578 1.00 0.00 H new ATOM 217 N CYS A 18 1.682 -6.959 -3.695 1.00 0.00 N ATOM 218 CA CYS A 18 1.884 -8.219 -4.407 1.00 0.00 C ATOM 219 C CYS A 18 0.569 -8.943 -4.721 1.00 0.00 C ATOM 220 O CYS A 18 0.516 -9.759 -5.642 1.00 0.00 O ATOM 221 CB CYS A 18 2.815 -9.122 -3.597 1.00 0.00 C ATOM 222 SG CYS A 18 4.392 -8.322 -3.143 1.00 0.00 S ATOM 0 H CYS A 18 1.993 -6.973 -2.724 1.00 0.00 H new ATOM 0 HA CYS A 18 2.341 -7.982 -5.368 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.302 -9.438 -2.688 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.026 -10.023 -4.173 1.00 0.00 H new ATOM 227 N SER A 19 -0.482 -8.646 -3.964 1.00 0.00 N ATOM 228 CA SER A 19 -1.788 -9.278 -4.176 1.00 0.00 C ATOM 229 C SER A 19 -2.853 -8.659 -3.285 1.00 0.00 C ATOM 230 O SER A 19 -4.013 -8.540 -3.682 1.00 0.00 O ATOM 231 CB SER A 19 -1.716 -10.773 -3.892 1.00 0.00 C ATOM 232 OG SER A 19 -1.044 -11.020 -2.669 1.00 0.00 O ATOM 0 H SER A 19 -0.459 -7.973 -3.198 1.00 0.00 H new ATOM 0 HA SER A 19 -2.058 -9.115 -5.219 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.723 -11.189 -3.850 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.196 -11.278 -4.706 1.00 0.00 H new ATOM 0 HG SER A 19 -1.010 -11.985 -2.504 1.00 0.00 H new ATOM 238 N GLY A 20 -2.444 -8.291 -2.072 1.00 0.00 N ATOM 239 CA GLY A 20 -3.348 -7.705 -1.093 1.00 0.00 C ATOM 240 C GLY A 20 -4.167 -6.543 -1.625 1.00 0.00 C ATOM 241 O GLY A 20 -5.207 -6.223 -1.053 1.00 0.00 O ATOM 0 H GLY A 20 -1.483 -8.391 -1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.026 -8.478 -0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.767 -7.364 -0.236 1.00 0.00 H new ATOM 245 N TYR A 21 -3.699 -5.919 -2.713 1.00 0.00 N ATOM 246 CA TYR A 21 -4.389 -4.789 -3.328 1.00 0.00 C ATOM 247 C TYR A 21 -4.242 -3.539 -2.462 1.00 0.00 C ATOM 248 O TYR A 21 -4.710 -3.485 -1.326 1.00 0.00 O ATOM 249 CB TYR A 21 -5.861 -5.154 -3.583 1.00 0.00 C ATOM 250 CG TYR A 21 -6.827 -3.990 -3.591 1.00 0.00 C ATOM 251 CD1 TYR A 21 -6.816 -3.050 -4.614 1.00 0.00 C ATOM 252 CD2 TYR A 21 -7.756 -3.841 -2.570 1.00 0.00 C ATOM 253 CE1 TYR A 21 -7.706 -1.993 -4.619 1.00 0.00 C ATOM 254 CE2 TYR A 21 -8.648 -2.786 -2.567 1.00 0.00 C ATOM 255 CZ TYR A 21 -8.620 -1.867 -3.593 1.00 0.00 C ATOM 256 OH TYR A 21 -9.514 -0.818 -3.595 1.00 0.00 O ATOM 0 H TYR A 21 -2.835 -6.185 -3.186 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.934 -4.562 -4.292 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.929 -5.667 -4.542 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.179 -5.863 -2.819 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.101 -3.147 -5.418 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.782 -4.561 -1.766 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.686 -1.270 -5.421 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.363 -2.682 -1.765 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.088 -0.876 -2.803 1.00 0.00 H new ATOM 266 N CYS A 22 -3.557 -2.548 -3.006 1.00 0.00 N ATOM 267 CA CYS A 22 -3.308 -1.302 -2.299 1.00 0.00 C ATOM 268 C CYS A 22 -4.599 -0.515 -2.101 1.00 0.00 C ATOM 269 O CYS A 22 -5.411 -0.390 -3.019 1.00 0.00 O ATOM 270 CB CYS A 22 -2.290 -0.462 -3.071 1.00 0.00 C ATOM 271 SG CYS A 22 -1.677 0.994 -2.165 1.00 0.00 S ATOM 0 H CYS A 22 -3.159 -2.583 -3.945 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.906 -1.540 -1.314 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.442 -1.094 -3.336 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -2.744 -0.130 -4.004 1.00 0.00 H new ATOM 276 N HIS A 23 -4.788 0.010 -0.900 1.00 0.00 N ATOM 277 CA HIS A 23 -5.978 0.780 -0.580 1.00 0.00 C ATOM 278 C HIS A 23 -5.630 1.947 0.338 1.00 0.00 C ATOM 279 O HIS A 23 -4.975 1.767 1.364 1.00 0.00 O ATOM 280 CB HIS A 23 -7.028 -0.121 0.076 1.00 0.00 C ATOM 281 CG HIS A 23 -8.252 0.607 0.542 1.00 0.00 C ATOM 282 ND1 HIS A 23 -9.055 1.352 -0.293 1.00 0.00 N ATOM 283 CD2 HIS A 23 -8.807 0.697 1.770 1.00 0.00 C ATOM 284 CE1 HIS A 23 -10.052 1.864 0.401 1.00 0.00 C ATOM 285 NE2 HIS A 23 -9.924 1.481 1.657 1.00 0.00 N ATOM 0 H HIS A 23 -4.128 -0.085 -0.128 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.391 1.183 -1.505 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.325 -0.892 -0.635 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.575 -0.630 0.927 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.438 0.236 2.674 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -10.839 2.490 0.008 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.554 1.729 2.420 1.00 0.00 H new ATOM 294 N LYS A 24 -6.073 3.140 -0.036 1.00 0.00 N ATOM 295 CA LYS A 24 -5.803 4.328 0.758 1.00 0.00 C ATOM 296 C LYS A 24 -7.012 5.253 0.816 1.00 0.00 C ATOM 297 O LYS A 24 -7.480 5.759 -0.206 1.00 0.00 O ATOM 298 CB LYS A 24 -4.596 5.093 0.192 1.00 0.00 C ATOM 299 CG LYS A 24 -4.325 6.422 0.892 1.00 0.00 C ATOM 300 CD LYS A 24 -3.016 7.057 0.442 1.00 0.00 C ATOM 301 CE LYS A 24 -2.992 7.322 -1.051 1.00 0.00 C ATOM 302 NZ LYS A 24 -3.911 8.417 -1.459 1.00 0.00 N ATOM 0 H LYS A 24 -6.619 3.309 -0.881 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.579 3.995 1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.709 4.464 0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.761 5.279 -0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.147 7.109 0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.297 6.263 1.970 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.865 7.994 0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.186 6.401 0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.976 7.576 -1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.264 6.409 -1.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.853 8.554 -2.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.886 8.167 -1.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.638 9.297 -0.977 1.00 0.00 H new ATOM 316 N GLN A 25 -7.479 5.506 2.027 1.00 0.00 N ATOM 317 CA GLN A 25 -8.588 6.412 2.252 1.00 0.00 C ATOM 318 C GLN A 25 -8.031 7.820 2.342 1.00 0.00 C ATOM 319 O GLN A 25 -6.921 8.007 2.841 1.00 0.00 O ATOM 320 CB GLN A 25 -9.337 6.060 3.541 1.00 0.00 C ATOM 321 CG GLN A 25 -10.092 4.743 3.481 1.00 0.00 C ATOM 322 CD GLN A 25 -11.226 4.759 2.474 1.00 0.00 C ATOM 323 OE1 GLN A 25 -11.004 4.880 1.270 1.00 0.00 O ATOM 324 NE2 GLN A 25 -12.449 4.637 2.963 1.00 0.00 N ATOM 0 H GLN A 25 -7.100 5.090 2.878 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.298 6.331 1.429 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.623 6.020 4.364 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.041 6.860 3.769 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.397 3.943 3.226 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.493 4.514 4.469 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.589 4.539 3.969 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.252 4.641 2.334 1.00 0.00 H new ATOM 333 N PRO A 26 -8.761 8.823 1.848 1.00 0.00 N ATOM 334 CA PRO A 26 -8.306 10.217 1.869 1.00 0.00 C ATOM 335 C PRO A 26 -8.301 10.830 3.275 1.00 0.00 C ATOM 336 O PRO A 26 -8.932 11.862 3.513 1.00 0.00 O ATOM 337 CB PRO A 26 -9.321 10.932 0.973 1.00 0.00 C ATOM 338 CG PRO A 26 -10.552 10.099 1.050 1.00 0.00 C ATOM 339 CD PRO A 26 -10.084 8.680 1.211 1.00 0.00 C ATOM 0 HA PRO A 26 -7.273 10.306 1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -9.509 11.948 1.321 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -8.959 11.008 -0.052 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.176 10.402 1.891 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.155 10.211 0.149 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.767 8.100 1.831 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -10.014 8.169 0.251 1.00 0.00 H new ATOM 347 N GLY A 27 -7.592 10.200 4.207 1.00 0.00 N ATOM 348 CA GLY A 27 -7.538 10.723 5.556 1.00 0.00 C ATOM 349 C GLY A 27 -6.571 9.991 6.470 1.00 0.00 C ATOM 350 O GLY A 27 -6.822 9.887 7.670 1.00 0.00 O ATOM 0 H GLY A 27 -7.059 9.344 4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.255 11.775 5.515 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.536 10.678 5.991 1.00 0.00 H new ATOM 354 N TRP A 28 -5.451 9.509 5.937 1.00 0.00 N ATOM 355 CA TRP A 28 -4.463 8.825 6.777 1.00 0.00 C ATOM 356 C TRP A 28 -3.077 8.812 6.138 1.00 0.00 C ATOM 357 O TRP A 28 -2.178 8.122 6.613 1.00 0.00 O ATOM 358 CB TRP A 28 -4.911 7.398 7.144 1.00 0.00 C ATOM 359 CG TRP A 28 -5.157 6.462 5.988 1.00 0.00 C ATOM 360 CD1 TRP A 28 -4.591 6.493 4.744 1.00 0.00 C ATOM 361 CD2 TRP A 28 -6.027 5.324 6.000 1.00 0.00 C ATOM 362 NE1 TRP A 28 -5.057 5.446 3.987 1.00 0.00 N ATOM 363 CE2 TRP A 28 -5.940 4.715 4.735 1.00 0.00 C ATOM 364 CE3 TRP A 28 -6.872 4.761 6.960 1.00 0.00 C ATOM 365 CZ2 TRP A 28 -6.665 3.572 4.407 1.00 0.00 C ATOM 366 CZ3 TRP A 28 -7.592 3.628 6.633 1.00 0.00 C ATOM 367 CH2 TRP A 28 -7.484 3.045 5.366 1.00 0.00 C ATOM 0 H TRP A 28 -5.205 9.575 4.949 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.394 9.400 7.701 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.152 6.955 7.788 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.827 7.466 7.731 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.881 7.233 4.406 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.789 5.246 3.024 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.961 5.204 7.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.583 3.118 3.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.249 3.185 7.367 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.060 2.160 5.141 1.00 0.00 H new ATOM 378 N VAL A 29 -2.929 9.615 5.086 1.00 0.00 N ATOM 379 CA VAL A 29 -1.686 9.795 4.332 1.00 0.00 C ATOM 380 C VAL A 29 -0.769 8.562 4.272 1.00 0.00 C ATOM 381 O VAL A 29 0.452 8.681 4.420 1.00 0.00 O ATOM 382 CB VAL A 29 -0.903 11.007 4.858 1.00 0.00 C ATOM 383 CG1 VAL A 29 -1.716 12.277 4.679 1.00 0.00 C ATOM 384 CG2 VAL A 29 -0.495 10.837 6.318 1.00 0.00 C ATOM 0 H VAL A 29 -3.697 10.179 4.721 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.009 9.965 3.305 1.00 0.00 H new ATOM 0 HB VAL A 29 0.013 11.083 4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.149 13.128 5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.932 12.425 3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.652 12.191 5.231 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.056 11.718 6.647 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.387 10.716 6.933 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.137 9.955 6.419 1.00 0.00 H new ATOM 394 N ALA A 30 -1.360 7.397 4.020 1.00 0.00 N ATOM 395 CA ALA A 30 -0.604 6.148 3.905 1.00 0.00 C ATOM 396 C ALA A 30 -1.525 4.975 3.592 1.00 0.00 C ATOM 397 O ALA A 30 -2.254 4.490 4.457 1.00 0.00 O ATOM 398 CB ALA A 30 0.188 5.858 5.173 1.00 0.00 C ATOM 0 H ALA A 30 -2.366 7.289 3.890 1.00 0.00 H new ATOM 0 HA ALA A 30 0.098 6.273 3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.737 4.924 5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.890 6.671 5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.496 5.771 6.017 1.00 0.00 H new ATOM 404 N GLY A 31 -1.473 4.518 2.354 1.00 0.00 N ATOM 405 CA GLY A 31 -2.286 3.401 1.933 1.00 0.00 C ATOM 406 C GLY A 31 -1.611 2.085 2.215 1.00 0.00 C ATOM 407 O GLY A 31 -0.382 2.010 2.229 1.00 0.00 O ATOM 0 H GLY A 31 -0.875 4.906 1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.246 3.435 2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.493 3.483 0.866 1.00 0.00 H new ATOM 411 N TYR A 32 -2.402 1.052 2.436 1.00 0.00 N ATOM 412 CA TYR A 32 -1.861 -0.264 2.716 1.00 0.00 C ATOM 413 C TYR A 32 -2.597 -1.344 1.938 1.00 0.00 C ATOM 414 O TYR A 32 -3.729 -1.145 1.492 1.00 0.00 O ATOM 415 CB TYR A 32 -1.893 -0.572 4.223 1.00 0.00 C ATOM 416 CG TYR A 32 -3.217 -0.315 4.930 1.00 0.00 C ATOM 417 CD1 TYR A 32 -4.441 -0.429 4.277 1.00 0.00 C ATOM 418 CD2 TYR A 32 -3.229 0.026 6.274 1.00 0.00 C ATOM 419 CE1 TYR A 32 -5.632 -0.210 4.943 1.00 0.00 C ATOM 420 CE2 TYR A 32 -4.413 0.248 6.945 1.00 0.00 C ATOM 421 CZ TYR A 32 -5.610 0.129 6.280 1.00 0.00 C ATOM 422 OH TYR A 32 -6.789 0.345 6.958 1.00 0.00 O ATOM 0 H TYR A 32 -3.421 1.099 2.427 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.821 -0.261 2.390 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.625 -1.619 4.365 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.122 0.023 4.712 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.460 -0.694 3.230 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.293 0.119 6.805 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.573 -0.304 4.421 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.400 0.515 7.991 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.171 1.205 6.684 1.00 0.00 H new ATOM 432 N CYS A 33 -1.946 -2.485 1.789 1.00 0.00 N ATOM 433 CA CYS A 33 -2.527 -3.616 1.089 1.00 0.00 C ATOM 434 C CYS A 33 -3.710 -4.146 1.885 1.00 0.00 C ATOM 435 O CYS A 33 -3.578 -4.407 3.072 1.00 0.00 O ATOM 436 CB CYS A 33 -1.496 -4.735 0.951 1.00 0.00 C ATOM 437 SG CYS A 33 0.060 -4.264 0.111 1.00 0.00 S ATOM 0 H CYS A 33 -1.006 -2.652 2.148 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.848 -3.290 0.100 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.254 -5.109 1.946 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.951 -5.560 0.403 1.00 0.00 H new ATOM 442 N ARG A 34 -4.852 -4.318 1.245 1.00 0.00 N ATOM 443 CA ARG A 34 -6.017 -4.839 1.938 1.00 0.00 C ATOM 444 C ARG A 34 -5.956 -6.360 1.976 1.00 0.00 C ATOM 445 O ARG A 34 -4.879 -6.950 2.087 1.00 0.00 O ATOM 446 CB ARG A 34 -7.310 -4.357 1.267 1.00 0.00 C ATOM 447 CG ARG A 34 -8.373 -3.924 2.266 1.00 0.00 C ATOM 448 CD ARG A 34 -7.912 -2.708 3.060 1.00 0.00 C ATOM 449 NE ARG A 34 -8.799 -2.382 4.185 1.00 0.00 N ATOM 450 CZ ARG A 34 -10.049 -1.918 4.067 1.00 0.00 C ATOM 451 NH1 ARG A 34 -10.602 -1.747 2.873 1.00 0.00 N ATOM 452 NH2 ARG A 34 -10.742 -1.618 5.157 1.00 0.00 N ATOM 0 H ARG A 34 -4.998 -4.108 0.258 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.017 -4.464 2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.080 -3.522 0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.709 -5.157 0.644 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.298 -3.690 1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.593 -4.746 2.947 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.906 -2.890 3.439 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.851 -1.848 2.393 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.435 -2.520 5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.074 -1.970 2.030 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.556 -1.393 2.799 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.322 -1.741 6.078 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.695 -1.264 5.074 1.00 0.00 H new ATOM 466 N ARG A 35 -7.105 -6.987 1.872 1.00 0.00 N ATOM 467 CA ARG A 35 -7.176 -8.438 1.883 1.00 0.00 C ATOM 468 C ARG A 35 -8.226 -8.930 0.892 1.00 0.00 C ATOM 469 O ARG A 35 -9.311 -8.350 0.776 1.00 0.00 O ATOM 470 CB ARG A 35 -7.474 -8.962 3.296 1.00 0.00 C ATOM 471 CG ARG A 35 -8.783 -8.455 3.881 1.00 0.00 C ATOM 472 CD ARG A 35 -9.080 -9.081 5.238 1.00 0.00 C ATOM 473 NE ARG A 35 -8.177 -8.613 6.295 1.00 0.00 N ATOM 474 CZ ARG A 35 -8.188 -7.381 6.813 1.00 0.00 C ATOM 475 NH1 ARG A 35 -9.025 -6.459 6.351 1.00 0.00 N ATOM 476 NH2 ARG A 35 -7.351 -7.069 7.797 1.00 0.00 N ATOM 0 H ARG A 35 -8.006 -6.519 1.779 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.205 -8.828 1.577 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.497 -10.051 3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.657 -8.676 3.958 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.739 -7.371 3.983 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.598 -8.677 3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.108 -8.854 5.519 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.004 -10.165 5.156 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.492 -9.275 6.661 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.668 -6.688 5.593 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.025 -5.522 6.754 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.702 -7.769 8.156 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.358 -6.129 8.194 1.00 0.00 H new ATOM 490 N LYS A 36 -7.888 -9.996 0.179 1.00 0.00 N ATOM 491 CA LYS A 36 -8.772 -10.588 -0.813 1.00 0.00 C ATOM 492 C LYS A 36 -8.246 -11.960 -1.209 1.00 0.00 C ATOM 493 O LYS A 36 -7.204 -12.371 -0.657 1.00 0.00 O ATOM 494 CB LYS A 36 -8.909 -9.675 -2.048 1.00 0.00 C ATOM 495 CG LYS A 36 -7.589 -9.153 -2.615 1.00 0.00 C ATOM 496 CD LYS A 36 -6.844 -10.204 -3.429 1.00 0.00 C ATOM 497 CE LYS A 36 -7.629 -10.629 -4.662 1.00 0.00 C ATOM 498 NZ LYS A 36 -7.835 -9.502 -5.609 1.00 0.00 N ATOM 499 OXT LYS A 36 -8.865 -12.620 -2.070 1.00 0.00 O ATOM 0 H LYS A 36 -6.992 -10.474 0.273 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.765 -10.700 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.431 -10.224 -2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.536 -8.823 -1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.786 -8.285 -3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.954 -8.816 -1.796 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.876 -9.808 -3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.649 -11.076 -2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.099 -11.435 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.597 -11.026 -4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.205 -9.868 -6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.516 -8.828 -5.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.929 -9.020 -5.777 1.00 0.00 H new