USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=6 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 11 ASN : amide:sc= 0.609 K(o=1.4,f=-1.2) USER MOD Set 1.2: A 13 SER OG : rot -37:sc= 0.771 USER MOD Set 2.1: A 6 ASN : amide:sc= -0.255 K(o=0.59,f=-3.6!) USER MOD Set 2.2: A 16 ASN : amide:sc= 0.85 K(o=0.59,f=-4) USER MOD Single : A 1 CYS N :NH3+ -118:sc= 0.145 (180deg=0.00188) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.1) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc=-0.00899 K(o=-0.009,f=-1.4) 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 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= -0.0218 (180deg=-0.219) USER MOD Single : A 25 GLN : amide:sc=-0.00229 X(o=-0.0023,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0.851 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 5.427 -9.804 0.471 1.00 0.00 N ATOM 2 CA CYS A 1 4.560 -8.654 0.129 1.00 0.00 C ATOM 3 C CYS A 1 3.089 -9.044 0.223 1.00 0.00 C ATOM 4 O CYS A 1 2.767 -10.213 0.446 1.00 0.00 O ATOM 5 CB CYS A 1 4.900 -8.176 -1.291 1.00 0.00 C ATOM 6 SG CYS A 1 4.555 -9.392 -2.608 1.00 0.00 S ATOM 0 H1 CYS A 1 5.993 -9.574 1.313 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.837 -10.637 0.668 1.00 0.00 H new ATOM 0 H3 CYS A 1 6.061 -10.010 -0.327 1.00 0.00 H new ATOM 0 HA CYS A 1 4.737 -7.845 0.837 1.00 0.00 H new ATOM 0 HB2 CYS A 1 4.336 -7.266 -1.498 1.00 0.00 H new ATOM 0 HB3 CYS A 1 5.957 -7.911 -1.327 1.00 0.00 H new ATOM 13 N ILE A 2 2.206 -8.056 0.062 1.00 0.00 N ATOM 14 CA ILE A 2 0.762 -8.273 0.132 1.00 0.00 C ATOM 15 C ILE A 2 0.356 -8.642 1.555 1.00 0.00 C ATOM 16 O ILE A 2 0.039 -9.797 1.846 1.00 0.00 O ATOM 17 CB ILE A 2 0.291 -9.381 -0.838 1.00 0.00 C ATOM 18 CG1 ILE A 2 0.868 -9.175 -2.238 1.00 0.00 C ATOM 19 CG2 ILE A 2 -1.229 -9.421 -0.905 1.00 0.00 C ATOM 20 CD1 ILE A 2 0.631 -10.351 -3.161 1.00 0.00 C ATOM 0 H ILE A 2 2.471 -7.088 -0.120 1.00 0.00 H new ATOM 0 HA ILE A 2 0.282 -7.340 -0.165 1.00 0.00 H new ATOM 0 HB ILE A 2 0.656 -10.333 -0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.426 -8.281 -2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.940 -8.994 -2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.542 -10.207 -1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.632 -9.625 0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.603 -8.460 -1.258 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.065 -10.140 -4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.097 -11.242 -2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.441 -10.519 -3.269 1.00 0.00 H new ATOM 32 N LYS A 3 0.390 -7.661 2.441 1.00 0.00 N ATOM 33 CA LYS A 3 0.047 -7.883 3.836 1.00 0.00 C ATOM 34 C LYS A 3 -0.419 -6.589 4.488 1.00 0.00 C ATOM 35 O LYS A 3 0.065 -5.506 4.151 1.00 0.00 O ATOM 36 CB LYS A 3 1.255 -8.451 4.591 1.00 0.00 C ATOM 37 CG LYS A 3 2.529 -7.640 4.407 1.00 0.00 C ATOM 38 CD LYS A 3 3.701 -8.267 5.142 1.00 0.00 C ATOM 39 CE LYS A 3 4.998 -7.531 4.849 1.00 0.00 C ATOM 40 NZ LYS A 3 6.153 -8.135 5.562 1.00 0.00 N ATOM 0 H LYS A 3 0.652 -6.701 2.219 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.770 -8.603 3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.017 -8.501 5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.434 -9.473 4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.763 -7.564 3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.371 -6.625 4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.508 -8.254 6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.800 -9.312 4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.188 -7.543 3.776 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.896 -6.486 5.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.018 -7.603 5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.984 -8.100 6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.267 -9.125 5.263 1.00 0.00 H new ATOM 54 N ASN A 4 -1.365 -6.710 5.414 1.00 0.00 N ATOM 55 CA ASN A 4 -1.901 -5.552 6.119 1.00 0.00 C ATOM 56 C ASN A 4 -0.793 -4.840 6.887 1.00 0.00 C ATOM 57 O ASN A 4 0.148 -5.473 7.372 1.00 0.00 O ATOM 58 CB ASN A 4 -3.041 -5.963 7.068 1.00 0.00 C ATOM 59 CG ASN A 4 -2.587 -6.826 8.239 1.00 0.00 C ATOM 60 OD1 ASN A 4 -1.902 -6.361 9.152 1.00 0.00 O ATOM 61 ND2 ASN A 4 -2.966 -8.092 8.220 1.00 0.00 N ATOM 0 H ASN A 4 -1.777 -7.600 5.694 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.311 -4.863 5.381 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.520 -5.064 7.456 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.796 -6.506 6.500 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -2.692 -8.718 8.977 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.533 -8.443 7.448 1.00 0.00 H new ATOM 68 N GLY A 5 -0.895 -3.525 6.976 1.00 0.00 N ATOM 69 CA GLY A 5 0.113 -2.751 7.669 1.00 0.00 C ATOM 70 C GLY A 5 1.044 -2.043 6.708 1.00 0.00 C ATOM 71 O GLY A 5 1.439 -0.902 6.941 1.00 0.00 O ATOM 0 H GLY A 5 -1.659 -2.978 6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -0.372 -2.016 8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.692 -3.408 8.317 1.00 0.00 H new ATOM 75 N ASN A 6 1.391 -2.720 5.622 1.00 0.00 N ATOM 76 CA ASN A 6 2.277 -2.148 4.618 1.00 0.00 C ATOM 77 C ASN A 6 1.590 -1.011 3.871 1.00 0.00 C ATOM 78 O ASN A 6 0.418 -1.121 3.495 1.00 0.00 O ATOM 79 CB ASN A 6 2.753 -3.225 3.633 1.00 0.00 C ATOM 80 CG ASN A 6 3.983 -3.955 4.131 1.00 0.00 C ATOM 81 OD1 ASN A 6 3.987 -4.522 5.224 1.00 0.00 O ATOM 82 ND2 ASN A 6 5.035 -3.950 3.331 1.00 0.00 N ATOM 0 H ASN A 6 1.072 -3.666 5.414 1.00 0.00 H new ATOM 0 HA ASN A 6 3.148 -1.743 5.132 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.950 -3.943 3.466 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.972 -2.763 2.670 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.891 -4.428 3.612 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.991 -3.468 2.433 1.00 0.00 H new ATOM 89 N GLY A 7 2.325 0.078 3.664 1.00 0.00 N ATOM 90 CA GLY A 7 1.789 1.227 2.961 1.00 0.00 C ATOM 91 C GLY A 7 1.670 0.958 1.479 1.00 0.00 C ATOM 92 O GLY A 7 2.578 1.264 0.710 1.00 0.00 O ATOM 0 H GLY A 7 3.291 0.184 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.809 1.480 3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.434 2.090 3.125 1.00 0.00 H new ATOM 96 N CYS A 8 0.551 0.364 1.103 1.00 0.00 N ATOM 97 CA CYS A 8 0.266 -0.001 -0.279 1.00 0.00 C ATOM 98 C CYS A 8 0.399 1.193 -1.215 1.00 0.00 C ATOM 99 O CYS A 8 0.983 1.087 -2.298 1.00 0.00 O ATOM 100 CB CYS A 8 -1.151 -0.571 -0.369 1.00 0.00 C ATOM 101 SG CYS A 8 -1.435 -1.702 -1.771 1.00 0.00 S ATOM 0 H CYS A 8 -0.195 0.118 1.753 1.00 0.00 H new ATOM 0 HA CYS A 8 0.994 -0.750 -0.590 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.374 -1.101 0.557 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.856 0.257 -0.440 1.00 0.00 H new ATOM 106 N GLN A 9 -0.142 2.325 -0.797 1.00 0.00 N ATOM 107 CA GLN A 9 -0.088 3.527 -1.605 1.00 0.00 C ATOM 108 C GLN A 9 0.041 4.762 -0.723 1.00 0.00 C ATOM 109 O GLN A 9 -0.957 5.363 -0.329 1.00 0.00 O ATOM 110 CB GLN A 9 -1.342 3.623 -2.476 1.00 0.00 C ATOM 111 CG GLN A 9 -1.262 4.683 -3.561 1.00 0.00 C ATOM 112 CD GLN A 9 -2.531 4.760 -4.383 1.00 0.00 C ATOM 113 OE1 GLN A 9 -2.972 3.765 -4.963 1.00 0.00 O ATOM 114 NE2 GLN A 9 -3.124 5.940 -4.446 1.00 0.00 N ATOM 0 H GLN A 9 -0.622 2.435 0.096 1.00 0.00 H new ATOM 0 HA GLN A 9 0.790 3.477 -2.250 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.523 2.654 -2.942 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.200 3.835 -1.838 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.068 5.653 -3.104 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.419 4.465 -4.217 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.726 6.738 -3.951 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.980 6.052 -4.990 1.00 0.00 H new ATOM 123 N PRO A 10 1.279 5.145 -0.384 1.00 0.00 N ATOM 124 CA PRO A 10 1.546 6.311 0.463 1.00 0.00 C ATOM 125 C PRO A 10 1.239 7.617 -0.261 1.00 0.00 C ATOM 126 O PRO A 10 0.651 8.535 0.306 1.00 0.00 O ATOM 127 CB PRO A 10 3.049 6.211 0.770 1.00 0.00 C ATOM 128 CG PRO A 10 3.462 4.849 0.321 1.00 0.00 C ATOM 129 CD PRO A 10 2.519 4.469 -0.781 1.00 0.00 C ATOM 0 HA PRO A 10 0.923 6.315 1.357 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.609 6.984 0.243 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.241 6.348 1.834 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.493 4.851 -0.032 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.408 4.135 1.143 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.873 4.809 -1.754 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.389 3.389 -0.849 1.00 0.00 H new ATOM 137 N ASN A 11 1.650 7.684 -1.519 1.00 0.00 N ATOM 138 CA ASN A 11 1.439 8.868 -2.347 1.00 0.00 C ATOM 139 C ASN A 11 1.544 8.495 -3.820 1.00 0.00 C ATOM 140 O ASN A 11 2.120 9.231 -4.625 1.00 0.00 O ATOM 141 CB ASN A 11 2.469 9.954 -2.005 1.00 0.00 C ATOM 142 CG ASN A 11 3.888 9.413 -1.919 1.00 0.00 C ATOM 143 OD1 ASN A 11 4.388 8.772 -2.846 1.00 0.00 O ATOM 144 ND2 ASN A 11 4.548 9.672 -0.801 1.00 0.00 N ATOM 0 H ASN A 11 2.137 6.925 -1.995 1.00 0.00 H new ATOM 0 HA ASN A 11 0.442 9.261 -2.147 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.429 10.738 -2.761 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.202 10.415 -1.054 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.505 9.338 -0.684 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.100 10.206 -0.056 1.00 0.00 H new ATOM 151 N GLY A 12 0.986 7.338 -4.159 1.00 0.00 N ATOM 152 CA GLY A 12 1.024 6.863 -5.528 1.00 0.00 C ATOM 153 C GLY A 12 2.445 6.648 -6.004 1.00 0.00 C ATOM 154 O GLY A 12 2.794 7.013 -7.126 1.00 0.00 O ATOM 0 H GLY A 12 0.506 6.719 -3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.469 5.928 -5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.527 7.584 -6.178 1.00 0.00 H new ATOM 158 N SER A 13 3.265 6.071 -5.138 1.00 0.00 N ATOM 159 CA SER A 13 4.661 5.818 -5.451 1.00 0.00 C ATOM 160 C SER A 13 4.781 4.818 -6.596 1.00 0.00 C ATOM 161 O SER A 13 5.452 5.083 -7.596 1.00 0.00 O ATOM 162 CB SER A 13 5.369 5.288 -4.204 1.00 0.00 C ATOM 163 OG SER A 13 4.963 6.013 -3.050 1.00 0.00 O ATOM 0 H SER A 13 2.983 5.768 -4.206 1.00 0.00 H new ATOM 0 HA SER A 13 5.132 6.749 -5.766 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.143 4.230 -4.073 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.449 5.370 -4.330 1.00 0.00 H new ATOM 0 HG SER A 13 4.838 6.957 -3.284 1.00 0.00 H new ATOM 169 N GLN A 14 4.107 3.683 -6.445 1.00 0.00 N ATOM 170 CA GLN A 14 4.104 2.630 -7.455 1.00 0.00 C ATOM 171 C GLN A 14 3.251 1.467 -6.966 1.00 0.00 C ATOM 172 O GLN A 14 2.244 1.112 -7.577 1.00 0.00 O ATOM 173 CB GLN A 14 5.531 2.142 -7.738 1.00 0.00 C ATOM 174 CG GLN A 14 5.878 2.055 -9.218 1.00 0.00 C ATOM 175 CD GLN A 14 5.052 1.028 -9.969 1.00 0.00 C ATOM 176 OE1 GLN A 14 3.845 1.192 -10.156 1.00 0.00 O ATOM 177 NE2 GLN A 14 5.699 -0.040 -10.400 1.00 0.00 N ATOM 0 H GLN A 14 3.548 3.467 -5.620 1.00 0.00 H new ATOM 0 HA GLN A 14 3.689 3.032 -8.380 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.237 2.814 -7.250 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.663 1.159 -7.287 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.733 3.033 -9.676 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.934 1.808 -9.322 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.699 -0.136 -10.224 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.199 -0.768 -10.909 1.00 0.00 H new ATOM 186 N GLY A 15 3.656 0.886 -5.848 1.00 0.00 N ATOM 187 CA GLY A 15 2.926 -0.223 -5.276 1.00 0.00 C ATOM 188 C GLY A 15 3.783 -1.035 -4.331 1.00 0.00 C ATOM 189 O GLY A 15 4.631 -1.815 -4.769 1.00 0.00 O ATOM 0 H GLY A 15 4.485 1.166 -5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.053 0.154 -4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.558 -0.866 -6.075 1.00 0.00 H new ATOM 193 N ASN A 16 3.568 -0.846 -3.037 1.00 0.00 N ATOM 194 CA ASN A 16 4.329 -1.562 -2.018 1.00 0.00 C ATOM 195 C ASN A 16 4.013 -3.048 -2.072 1.00 0.00 C ATOM 196 O ASN A 16 4.910 -3.888 -2.123 1.00 0.00 O ATOM 197 CB ASN A 16 4.000 -1.004 -0.632 1.00 0.00 C ATOM 198 CG ASN A 16 4.854 -1.597 0.477 1.00 0.00 C ATOM 199 OD1 ASN A 16 4.783 -2.791 0.775 1.00 0.00 O ATOM 200 ND2 ASN A 16 5.672 -0.761 1.095 1.00 0.00 N ATOM 0 H ASN A 16 2.871 -0.201 -2.665 1.00 0.00 H new ATOM 0 HA ASN A 16 5.393 -1.424 -2.212 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.133 0.078 -0.643 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.949 -1.194 -0.412 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.273 -1.098 1.847 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.702 0.221 0.819 1.00 0.00 H new ATOM 207 N CYS A 17 2.730 -3.362 -2.071 1.00 0.00 N ATOM 208 CA CYS A 17 2.283 -4.741 -2.133 1.00 0.00 C ATOM 209 C CYS A 17 2.179 -5.205 -3.579 1.00 0.00 C ATOM 210 O CYS A 17 1.827 -4.427 -4.465 1.00 0.00 O ATOM 211 CB CYS A 17 0.936 -4.900 -1.420 1.00 0.00 C ATOM 212 SG CYS A 17 1.057 -4.863 0.400 1.00 0.00 S ATOM 0 H CYS A 17 1.976 -2.676 -2.028 1.00 0.00 H new ATOM 0 HA CYS A 17 3.019 -5.364 -1.625 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.267 -4.104 -1.746 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.483 -5.843 -1.726 1.00 0.00 H new ATOM 217 N CYS A 18 2.493 -6.471 -3.809 1.00 0.00 N ATOM 218 CA CYS A 18 2.434 -7.061 -5.143 1.00 0.00 C ATOM 219 C CYS A 18 0.977 -7.274 -5.553 1.00 0.00 C ATOM 220 O CYS A 18 0.484 -8.400 -5.566 1.00 0.00 O ATOM 221 CB CYS A 18 3.175 -8.395 -5.145 1.00 0.00 C ATOM 222 SG CYS A 18 4.810 -8.346 -4.333 1.00 0.00 S ATOM 0 H CYS A 18 2.795 -7.118 -3.081 1.00 0.00 H new ATOM 0 HA CYS A 18 2.907 -6.386 -5.856 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.557 -9.142 -4.647 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.304 -8.724 -6.176 1.00 0.00 H new ATOM 227 N SER A 19 0.289 -6.176 -5.839 1.00 0.00 N ATOM 228 CA SER A 19 -1.124 -6.204 -6.202 1.00 0.00 C ATOM 229 C SER A 19 -1.947 -6.701 -5.023 1.00 0.00 C ATOM 230 O SER A 19 -2.762 -7.612 -5.150 1.00 0.00 O ATOM 231 CB SER A 19 -1.376 -7.081 -7.427 1.00 0.00 C ATOM 232 OG SER A 19 -0.596 -6.653 -8.531 1.00 0.00 O ATOM 0 H SER A 19 0.694 -5.240 -5.826 1.00 0.00 H new ATOM 0 HA SER A 19 -1.426 -5.188 -6.458 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.139 -8.118 -7.190 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.433 -7.048 -7.690 1.00 0.00 H new ATOM 0 HG SER A 19 -0.774 -7.232 -9.302 1.00 0.00 H new ATOM 238 N GLY A 20 -1.719 -6.093 -3.869 1.00 0.00 N ATOM 239 CA GLY A 20 -2.440 -6.478 -2.679 1.00 0.00 C ATOM 240 C GLY A 20 -3.690 -5.654 -2.485 1.00 0.00 C ATOM 241 O GLY A 20 -4.237 -5.612 -1.383 1.00 0.00 O ATOM 0 H GLY A 20 -1.046 -5.338 -3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.707 -7.533 -2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.792 -6.365 -1.810 1.00 0.00 H new ATOM 245 N TYR A 21 -4.134 -5.005 -3.566 1.00 0.00 N ATOM 246 CA TYR A 21 -5.329 -4.168 -3.546 1.00 0.00 C ATOM 247 C TYR A 21 -5.181 -3.040 -2.518 1.00 0.00 C ATOM 248 O TYR A 21 -5.473 -3.195 -1.327 1.00 0.00 O ATOM 249 CB TYR A 21 -6.569 -5.039 -3.294 1.00 0.00 C ATOM 250 CG TYR A 21 -7.810 -4.282 -2.862 1.00 0.00 C ATOM 251 CD1 TYR A 21 -8.202 -3.110 -3.499 1.00 0.00 C ATOM 252 CD2 TYR A 21 -8.587 -4.745 -1.811 1.00 0.00 C ATOM 253 CE1 TYR A 21 -9.330 -2.422 -3.095 1.00 0.00 C ATOM 254 CE2 TYR A 21 -9.716 -4.064 -1.404 1.00 0.00 C ATOM 255 CZ TYR A 21 -10.083 -2.904 -2.047 1.00 0.00 C ATOM 256 OH TYR A 21 -11.206 -2.220 -1.635 1.00 0.00 O ATOM 0 H TYR A 21 -3.674 -5.047 -4.475 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.457 -3.689 -4.517 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.798 -5.591 -4.206 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.327 -5.776 -2.528 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.615 -2.731 -4.323 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.304 -5.654 -1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.620 -1.511 -3.598 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.309 -4.440 -0.584 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.622 -2.695 -0.886 1.00 0.00 H new ATOM 266 N CYS A 22 -4.700 -1.905 -2.997 1.00 0.00 N ATOM 267 CA CYS A 22 -4.482 -0.745 -2.153 1.00 0.00 C ATOM 268 C CYS A 22 -5.788 -0.027 -1.832 1.00 0.00 C ATOM 269 O CYS A 22 -6.598 0.242 -2.719 1.00 0.00 O ATOM 270 CB CYS A 22 -3.525 0.235 -2.840 1.00 0.00 C ATOM 271 SG CYS A 22 -1.911 -0.473 -3.312 1.00 0.00 S ATOM 0 H CYS A 22 -4.451 -1.763 -3.976 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.046 -1.100 -1.219 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.009 0.627 -3.734 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.354 1.081 -2.174 1.00 0.00 H new ATOM 276 N HIS A 23 -5.963 0.316 -0.566 1.00 0.00 N ATOM 277 CA HIS A 23 -7.136 1.049 -0.122 1.00 0.00 C ATOM 278 C HIS A 23 -6.658 2.268 0.642 1.00 0.00 C ATOM 279 O HIS A 23 -5.970 2.135 1.654 1.00 0.00 O ATOM 280 CB HIS A 23 -8.039 0.188 0.767 1.00 0.00 C ATOM 281 CG HIS A 23 -9.280 0.899 1.227 1.00 0.00 C ATOM 282 ND1 HIS A 23 -10.279 1.310 0.370 1.00 0.00 N ATOM 283 CD2 HIS A 23 -9.671 1.287 2.466 1.00 0.00 C ATOM 284 CE1 HIS A 23 -11.226 1.920 1.058 1.00 0.00 C ATOM 285 NE2 HIS A 23 -10.882 1.919 2.331 1.00 0.00 N ATOM 0 H HIS A 23 -5.301 0.096 0.178 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.729 1.341 -0.988 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -8.326 -0.709 0.219 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -7.472 -0.138 1.639 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.130 1.128 3.387 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -12.129 2.347 0.648 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -11.428 2.323 3.092 1.00 0.00 H new ATOM 294 N LYS A 24 -6.990 3.452 0.158 1.00 0.00 N ATOM 295 CA LYS A 24 -6.544 4.662 0.815 1.00 0.00 C ATOM 296 C LYS A 24 -7.641 5.704 0.918 1.00 0.00 C ATOM 297 O LYS A 24 -8.217 6.136 -0.081 1.00 0.00 O ATOM 298 CB LYS A 24 -5.345 5.261 0.079 1.00 0.00 C ATOM 299 CG LYS A 24 -4.668 6.384 0.850 1.00 0.00 C ATOM 300 CD LYS A 24 -3.513 6.983 0.072 1.00 0.00 C ATOM 301 CE LYS A 24 -4.005 7.875 -1.049 1.00 0.00 C ATOM 302 NZ LYS A 24 -4.607 9.131 -0.531 1.00 0.00 N ATOM 0 H LYS A 24 -7.559 3.598 -0.676 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.255 4.379 1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.617 4.474 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.673 5.640 -0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.397 7.162 1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.305 6.002 1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.879 7.559 0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.897 6.184 -0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.175 8.117 -1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.743 7.337 -1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.683 9.824 -1.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.554 8.931 -0.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.006 9.518 0.224 1.00 0.00 H new ATOM 316 N GLN A 25 -7.876 6.133 2.140 1.00 0.00 N ATOM 317 CA GLN A 25 -8.843 7.162 2.434 1.00 0.00 C ATOM 318 C GLN A 25 -8.113 8.495 2.417 1.00 0.00 C ATOM 319 O GLN A 25 -6.978 8.573 2.890 1.00 0.00 O ATOM 320 CB GLN A 25 -9.469 6.912 3.809 1.00 0.00 C ATOM 321 CG GLN A 25 -10.507 7.942 4.214 1.00 0.00 C ATOM 322 CD GLN A 25 -11.050 7.694 5.603 1.00 0.00 C ATOM 323 OE1 GLN A 25 -10.332 7.821 6.597 1.00 0.00 O ATOM 324 NE2 GLN A 25 -12.315 7.330 5.680 1.00 0.00 N ATOM 0 H GLN A 25 -7.395 5.772 2.964 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.645 7.162 1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.932 5.925 3.811 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.678 6.895 4.559 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.064 8.937 4.172 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.328 7.928 3.497 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.872 7.238 4.830 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.737 7.141 6.589 1.00 0.00 H new ATOM 333 N PRO A 26 -8.720 9.547 1.854 1.00 0.00 N ATOM 334 CA PRO A 26 -8.093 10.874 1.765 1.00 0.00 C ATOM 335 C PRO A 26 -7.913 11.553 3.127 1.00 0.00 C ATOM 336 O PRO A 26 -8.329 12.697 3.317 1.00 0.00 O ATOM 337 CB PRO A 26 -9.073 11.672 0.899 1.00 0.00 C ATOM 338 CG PRO A 26 -10.380 10.983 1.073 1.00 0.00 C ATOM 339 CD PRO A 26 -10.056 9.528 1.232 1.00 0.00 C ATOM 0 HA PRO A 26 -7.084 10.809 1.357 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -9.128 12.712 1.220 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -8.764 11.677 -0.146 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -10.910 11.364 1.946 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.027 11.148 0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.786 9.019 1.861 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -10.046 9.010 0.273 1.00 0.00 H new ATOM 347 N GLY A 27 -7.293 10.857 4.071 1.00 0.00 N ATOM 348 CA GLY A 27 -7.084 11.434 5.377 1.00 0.00 C ATOM 349 C GLY A 27 -6.394 10.508 6.363 1.00 0.00 C ATOM 350 O GLY A 27 -6.737 10.510 7.547 1.00 0.00 O ATOM 0 H GLY A 27 -6.934 9.909 3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.489 12.341 5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.048 11.732 5.789 1.00 0.00 H new ATOM 354 N TRP A 28 -5.402 9.741 5.914 1.00 0.00 N ATOM 355 CA TRP A 28 -4.679 8.866 6.830 1.00 0.00 C ATOM 356 C TRP A 28 -3.235 8.621 6.386 1.00 0.00 C ATOM 357 O TRP A 28 -2.637 7.596 6.716 1.00 0.00 O ATOM 358 CB TRP A 28 -5.422 7.547 7.087 1.00 0.00 C ATOM 359 CG TRP A 28 -5.628 6.641 5.904 1.00 0.00 C ATOM 360 CD1 TRP A 28 -4.995 6.671 4.694 1.00 0.00 C ATOM 361 CD2 TRP A 28 -6.524 5.526 5.858 1.00 0.00 C ATOM 362 NE1 TRP A 28 -5.447 5.646 3.902 1.00 0.00 N ATOM 363 CE2 TRP A 28 -6.388 4.929 4.594 1.00 0.00 C ATOM 364 CE3 TRP A 28 -7.432 4.976 6.768 1.00 0.00 C ATOM 365 CZ2 TRP A 28 -7.126 3.809 4.217 1.00 0.00 C ATOM 366 CZ3 TRP A 28 -8.163 3.866 6.393 1.00 0.00 C ATOM 367 CH2 TRP A 28 -8.005 3.293 5.127 1.00 0.00 C ATOM 0 H TRP A 28 -5.087 9.708 4.944 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.633 9.397 7.781 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.874 6.992 7.848 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.399 7.784 7.507 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.248 7.395 4.403 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.133 5.449 2.952 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -7.560 5.412 7.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.007 3.364 3.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.868 3.434 7.088 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.590 2.424 4.863 1.00 0.00 H new ATOM 378 N VAL A 29 -2.678 9.605 5.683 1.00 0.00 N ATOM 379 CA VAL A 29 -1.286 9.593 5.218 1.00 0.00 C ATOM 380 C VAL A 29 -0.981 8.543 4.143 1.00 0.00 C ATOM 381 O VAL A 29 -0.420 8.874 3.097 1.00 0.00 O ATOM 382 CB VAL A 29 -0.307 9.401 6.401 1.00 0.00 C ATOM 383 CG1 VAL A 29 1.131 9.331 5.914 1.00 0.00 C ATOM 384 CG2 VAL A 29 -0.470 10.521 7.418 1.00 0.00 C ATOM 0 H VAL A 29 -3.186 10.448 5.414 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.143 10.569 4.754 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.547 8.454 6.885 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.797 9.196 6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.243 8.491 5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.386 10.256 5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.227 10.368 8.242 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.263 11.479 6.941 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.491 10.519 7.801 1.00 0.00 H new ATOM 394 N ALA A 30 -1.309 7.289 4.404 1.00 0.00 N ATOM 395 CA ALA A 30 -1.013 6.222 3.452 1.00 0.00 C ATOM 396 C ALA A 30 -2.031 5.094 3.516 1.00 0.00 C ATOM 397 O ALA A 30 -2.513 4.736 4.590 1.00 0.00 O ATOM 398 CB ALA A 30 0.381 5.667 3.712 1.00 0.00 C ATOM 0 H ALA A 30 -1.776 6.982 5.257 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.063 6.656 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.595 4.872 2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.117 6.463 3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.431 5.268 4.725 1.00 0.00 H new ATOM 404 N GLY A 31 -2.342 4.535 2.353 1.00 0.00 N ATOM 405 CA GLY A 31 -3.291 3.446 2.277 1.00 0.00 C ATOM 406 C GLY A 31 -2.646 2.103 2.529 1.00 0.00 C ATOM 407 O GLY A 31 -1.589 1.806 1.978 1.00 0.00 O ATOM 0 H GLY A 31 -1.949 4.821 1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.085 3.608 3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.758 3.443 1.292 1.00 0.00 H new ATOM 411 N TYR A 32 -3.285 1.300 3.360 1.00 0.00 N ATOM 412 CA TYR A 32 -2.788 -0.025 3.704 1.00 0.00 C ATOM 413 C TYR A 32 -3.265 -1.065 2.688 1.00 0.00 C ATOM 414 O TYR A 32 -4.297 -0.879 2.035 1.00 0.00 O ATOM 415 CB TYR A 32 -3.267 -0.411 5.111 1.00 0.00 C ATOM 416 CG TYR A 32 -4.747 -0.737 5.179 1.00 0.00 C ATOM 417 CD1 TYR A 32 -5.705 0.270 5.224 1.00 0.00 C ATOM 418 CD2 TYR A 32 -5.184 -2.056 5.187 1.00 0.00 C ATOM 419 CE1 TYR A 32 -7.052 -0.030 5.272 1.00 0.00 C ATOM 420 CE2 TYR A 32 -6.529 -2.361 5.238 1.00 0.00 C ATOM 421 CZ TYR A 32 -7.458 -1.346 5.279 1.00 0.00 C ATOM 422 OH TYR A 32 -8.801 -1.649 5.322 1.00 0.00 O ATOM 0 H TYR A 32 -4.163 1.545 3.817 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.698 -0.001 3.686 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.697 -1.274 5.456 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.052 0.408 5.797 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -5.390 1.303 5.221 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.459 -2.856 5.153 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.784 0.764 5.304 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.851 -3.392 5.246 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.917 -2.622 5.320 1.00 0.00 H new ATOM 432 N CYS A 33 -2.526 -2.160 2.573 1.00 0.00 N ATOM 433 CA CYS A 33 -2.897 -3.236 1.660 1.00 0.00 C ATOM 434 C CYS A 33 -4.059 -4.022 2.260 1.00 0.00 C ATOM 435 O CYS A 33 -3.943 -4.549 3.368 1.00 0.00 O ATOM 436 CB CYS A 33 -1.714 -4.179 1.426 1.00 0.00 C ATOM 437 SG CYS A 33 -0.163 -3.344 0.959 1.00 0.00 S ATOM 0 H CYS A 33 -1.668 -2.328 3.098 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.190 -2.802 0.704 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.541 -4.757 2.334 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.980 -4.888 0.642 1.00 0.00 H new ATOM 442 N ARG A 34 -5.172 -4.105 1.544 1.00 0.00 N ATOM 443 CA ARG A 34 -6.328 -4.835 2.046 1.00 0.00 C ATOM 444 C ARG A 34 -6.214 -6.325 1.776 1.00 0.00 C ATOM 445 O ARG A 34 -6.998 -6.895 1.017 1.00 0.00 O ATOM 446 CB ARG A 34 -7.637 -4.292 1.473 1.00 0.00 C ATOM 447 CG ARG A 34 -8.231 -3.172 2.307 1.00 0.00 C ATOM 448 CD ARG A 34 -9.717 -2.999 2.046 1.00 0.00 C ATOM 449 NE ARG A 34 -10.332 -2.093 3.017 1.00 0.00 N ATOM 450 CZ ARG A 34 -11.630 -1.787 3.044 1.00 0.00 C ATOM 451 NH1 ARG A 34 -12.470 -2.327 2.171 1.00 0.00 N ATOM 452 NH2 ARG A 34 -12.093 -0.940 3.955 1.00 0.00 N ATOM 0 H ARG A 34 -5.299 -3.682 0.625 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.343 -4.685 3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.461 -3.929 0.460 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.360 -5.105 1.399 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.070 -3.382 3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.712 -2.239 2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.867 -2.610 1.039 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.210 -3.970 2.090 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.728 -1.667 3.720 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.125 -2.983 1.470 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.461 -2.086 2.200 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.456 -0.523 4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.086 -0.706 3.976 1.00 0.00 H new ATOM 466 N ARG A 35 -5.242 -6.955 2.421 1.00 0.00 N ATOM 467 CA ARG A 35 -5.025 -8.388 2.288 1.00 0.00 C ATOM 468 C ARG A 35 -6.076 -9.146 3.109 1.00 0.00 C ATOM 469 O ARG A 35 -5.763 -9.861 4.062 1.00 0.00 O ATOM 470 CB ARG A 35 -3.596 -8.746 2.729 1.00 0.00 C ATOM 471 CG ARG A 35 -3.274 -10.233 2.673 1.00 0.00 C ATOM 472 CD ARG A 35 -3.491 -10.813 1.287 1.00 0.00 C ATOM 473 NE ARG A 35 -3.432 -12.274 1.293 1.00 0.00 N ATOM 474 CZ ARG A 35 -2.328 -12.985 1.526 1.00 0.00 C ATOM 475 NH1 ARG A 35 -1.155 -12.380 1.687 1.00 0.00 N ATOM 476 NH2 ARG A 35 -2.399 -14.309 1.592 1.00 0.00 N ATOM 0 H ARG A 35 -4.585 -6.490 3.048 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.134 -8.682 1.244 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.889 -8.210 2.097 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.444 -8.392 3.749 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.238 -10.391 2.973 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.898 -10.766 3.390 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.460 -10.490 0.906 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.734 -10.422 0.607 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.295 -12.785 1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.094 -11.363 1.633 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.316 -12.933 1.865 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.295 -14.779 1.465 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.557 -14.857 1.770 1.00 0.00 H new ATOM 490 N LYS A 36 -7.334 -8.955 2.742 1.00 0.00 N ATOM 491 CA LYS A 36 -8.441 -9.592 3.431 1.00 0.00 C ATOM 492 C LYS A 36 -9.104 -10.606 2.514 1.00 0.00 C ATOM 493 O LYS A 36 -9.166 -10.345 1.294 1.00 0.00 O ATOM 494 CB LYS A 36 -9.465 -8.543 3.879 1.00 0.00 C ATOM 495 CG LYS A 36 -8.871 -7.418 4.717 1.00 0.00 C ATOM 496 CD LYS A 36 -8.222 -7.937 5.992 1.00 0.00 C ATOM 497 CE LYS A 36 -9.232 -8.628 6.893 1.00 0.00 C ATOM 498 NZ LYS A 36 -8.619 -9.087 8.166 1.00 0.00 N ATOM 499 OXT LYS A 36 -9.550 -11.659 3.008 1.00 0.00 O ATOM 0 H LYS A 36 -7.613 -8.358 1.963 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.057 -10.104 4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.940 -8.114 2.997 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.248 -9.037 4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.130 -6.879 4.127 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.654 -6.705 4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.424 -8.635 5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.761 -7.108 6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.051 -7.943 7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.661 -9.482 6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.342 -9.553 8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.854 -9.760 7.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.232 -8.270 8.679 1.00 0.00 H new TER 513 LYS A 36