USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=9 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 Single : A 1 CYS N :NH3+ -107:sc= 0.0741 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -162:sc= -0.13 (180deg=-0.535) USER MOD Single : A 4 ASN : amide:sc= -0.766! C(o=-0.77!,f=-9.1!) USER MOD Single : A 6 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.9) USER MOD Single : A 9 GLN : amide:sc= -1.8 K(o=-1.8,f=-10!) USER MOD Single : A 11 ASN : amide:sc= 0.0677 X(o=0.068,f=-0.36) USER MOD Single : A 13 SER OG : rot 180:sc=-0.00462 USER MOD Single : A 14 GLN : amide:sc= 0.632 K(o=0.63,f=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00993 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -2.25! C(o=-2.3!,f=-3!) USER MOD Single : A 24 LYS NZ :NH3+ -138:sc= 1.52 (180deg=-0.359) USER MOD Single : A 25 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.22) USER MOD Single : A 32 TYR OH : rot -99:sc= 0.962 USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= -0.0687 (180deg=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 5.472 -10.841 0.675 1.00 0.00 N ATOM 2 CA CYS A 1 4.287 -10.069 0.245 1.00 0.00 C ATOM 3 C CYS A 1 3.711 -9.265 1.404 1.00 0.00 C ATOM 4 O CYS A 1 3.939 -9.600 2.566 1.00 0.00 O ATOM 5 CB CYS A 1 3.240 -11.038 -0.309 1.00 0.00 C ATOM 6 SG CYS A 1 3.562 -11.593 -2.016 1.00 0.00 S ATOM 0 H1 CYS A 1 6.331 -10.404 0.284 1.00 0.00 H new ATOM 0 H2 CYS A 1 5.527 -10.844 1.714 1.00 0.00 H new ATOM 0 H3 CYS A 1 5.393 -11.819 0.330 1.00 0.00 H new ATOM 0 HA CYS A 1 4.580 -9.362 -0.531 1.00 0.00 H new ATOM 0 HB2 CYS A 1 3.190 -11.911 0.341 1.00 0.00 H new ATOM 0 HB3 CYS A 1 2.262 -10.558 -0.274 1.00 0.00 H new ATOM 13 N ILE A 2 2.988 -8.191 1.069 1.00 0.00 N ATOM 14 CA ILE A 2 2.377 -7.304 2.058 1.00 0.00 C ATOM 15 C ILE A 2 1.673 -8.080 3.173 1.00 0.00 C ATOM 16 O ILE A 2 0.872 -8.976 2.915 1.00 0.00 O ATOM 17 CB ILE A 2 1.371 -6.333 1.385 1.00 0.00 C ATOM 18 CG1 ILE A 2 0.417 -7.078 0.437 1.00 0.00 C ATOM 19 CG2 ILE A 2 2.111 -5.241 0.632 1.00 0.00 C ATOM 20 CD1 ILE A 2 -0.909 -7.458 1.062 1.00 0.00 C ATOM 0 H ILE A 2 2.811 -7.914 0.103 1.00 0.00 H new ATOM 0 HA ILE A 2 3.188 -6.731 2.506 1.00 0.00 H new ATOM 0 HB ILE A 2 0.772 -5.878 2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.228 -6.453 -0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.910 -7.982 0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.391 -4.568 0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.735 -4.679 1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.738 -5.691 -0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.522 -7.979 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.734 -8.111 1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.427 -6.558 1.393 1.00 0.00 H new ATOM 32 N LYS A 3 1.982 -7.735 4.414 1.00 0.00 N ATOM 33 CA LYS A 3 1.386 -8.405 5.562 1.00 0.00 C ATOM 34 C LYS A 3 0.052 -7.751 5.934 1.00 0.00 C ATOM 35 O LYS A 3 -0.231 -7.499 7.107 1.00 0.00 O ATOM 36 CB LYS A 3 2.348 -8.379 6.753 1.00 0.00 C ATOM 37 CG LYS A 3 2.015 -9.413 7.814 1.00 0.00 C ATOM 38 CD LYS A 3 2.894 -9.268 9.042 1.00 0.00 C ATOM 39 CE LYS A 3 2.498 -10.265 10.117 1.00 0.00 C ATOM 40 NZ LYS A 3 1.062 -10.142 10.486 1.00 0.00 N ATOM 0 H LYS A 3 2.642 -6.995 4.653 1.00 0.00 H new ATOM 0 HA LYS A 3 1.195 -9.444 5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.363 -8.549 6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.331 -7.387 7.204 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.969 -9.313 8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.136 -10.413 7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.938 -9.421 8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.813 -8.254 9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.697 -11.277 9.764 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.115 -10.109 11.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.899 -10.602 11.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.805 -9.136 10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.476 -10.602 9.760 1.00 0.00 H new ATOM 54 N ASN A 4 -0.762 -7.488 4.914 1.00 0.00 N ATOM 55 CA ASN A 4 -2.083 -6.872 5.079 1.00 0.00 C ATOM 56 C ASN A 4 -2.014 -5.570 5.870 1.00 0.00 C ATOM 57 O ASN A 4 -2.894 -5.270 6.679 1.00 0.00 O ATOM 58 CB ASN A 4 -3.059 -7.840 5.759 1.00 0.00 C ATOM 59 CG ASN A 4 -3.252 -9.120 4.974 1.00 0.00 C ATOM 60 OD1 ASN A 4 -3.472 -9.091 3.766 1.00 0.00 O ATOM 61 ND2 ASN A 4 -3.182 -10.251 5.654 1.00 0.00 N ATOM 0 H ASN A 4 -0.526 -7.696 3.944 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.447 -6.640 4.078 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.690 -8.082 6.756 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.023 -7.348 5.887 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.313 -11.142 5.176 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.997 -10.232 6.657 1.00 0.00 H new ATOM 68 N GLY A 5 -0.972 -4.794 5.632 1.00 0.00 N ATOM 69 CA GLY A 5 -0.824 -3.534 6.329 1.00 0.00 C ATOM 70 C GLY A 5 0.458 -2.824 5.969 1.00 0.00 C ATOM 71 O GLY A 5 1.048 -2.134 6.795 1.00 0.00 O ATOM 0 H GLY A 5 -0.227 -5.011 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.671 -2.890 6.093 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.848 -3.712 7.404 1.00 0.00 H new ATOM 75 N ASN A 6 0.882 -2.984 4.728 1.00 0.00 N ATOM 76 CA ASN A 6 2.097 -2.344 4.251 1.00 0.00 C ATOM 77 C ASN A 6 1.731 -1.114 3.439 1.00 0.00 C ATOM 78 O ASN A 6 0.804 -1.164 2.624 1.00 0.00 O ATOM 79 CB ASN A 6 2.911 -3.322 3.398 1.00 0.00 C ATOM 80 CG ASN A 6 4.299 -2.808 3.050 1.00 0.00 C ATOM 81 OD1 ASN A 6 4.455 -1.760 2.427 1.00 0.00 O ATOM 82 ND2 ASN A 6 5.317 -3.553 3.442 1.00 0.00 N ATOM 0 H ASN A 6 0.402 -3.553 4.030 1.00 0.00 H new ATOM 0 HA ASN A 6 2.706 -2.044 5.104 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.005 -4.267 3.932 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.367 -3.529 2.477 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.272 -3.264 3.229 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.148 -4.417 3.957 1.00 0.00 H new ATOM 89 N GLY A 7 2.449 -0.021 3.663 1.00 0.00 N ATOM 90 CA GLY A 7 2.183 1.204 2.937 1.00 0.00 C ATOM 91 C GLY A 7 2.380 1.020 1.448 1.00 0.00 C ATOM 92 O GLY A 7 3.468 0.665 0.994 1.00 0.00 O ATOM 0 H GLY A 7 3.213 0.038 4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.161 1.529 3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.843 1.993 3.298 1.00 0.00 H new ATOM 96 N CYS A 8 1.326 1.240 0.690 1.00 0.00 N ATOM 97 CA CYS A 8 1.378 1.080 -0.747 1.00 0.00 C ATOM 98 C CYS A 8 1.577 2.426 -1.428 1.00 0.00 C ATOM 99 O CYS A 8 2.501 2.594 -2.221 1.00 0.00 O ATOM 100 CB CYS A 8 0.102 0.401 -1.243 1.00 0.00 C ATOM 101 SG CYS A 8 0.087 0.038 -3.026 1.00 0.00 S ATOM 0 H CYS A 8 0.417 1.532 1.049 1.00 0.00 H new ATOM 0 HA CYS A 8 2.228 0.447 -1.001 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.036 -0.530 -0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.750 1.039 -1.007 1.00 0.00 H new ATOM 106 N GLN A 9 0.720 3.389 -1.111 1.00 0.00 N ATOM 107 CA GLN A 9 0.829 4.716 -1.698 1.00 0.00 C ATOM 108 C GLN A 9 0.763 5.787 -0.617 1.00 0.00 C ATOM 109 O GLN A 9 -0.313 6.119 -0.113 1.00 0.00 O ATOM 110 CB GLN A 9 -0.269 4.981 -2.740 1.00 0.00 C ATOM 111 CG GLN A 9 -0.987 3.743 -3.254 1.00 0.00 C ATOM 112 CD GLN A 9 -2.173 3.356 -2.390 1.00 0.00 C ATOM 113 OE1 GLN A 9 -2.021 2.985 -1.226 1.00 0.00 O ATOM 114 NE2 GLN A 9 -3.365 3.453 -2.951 1.00 0.00 N ATOM 0 H GLN A 9 -0.053 3.276 -0.455 1.00 0.00 H new ATOM 0 HA GLN A 9 1.794 4.758 -2.202 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.007 5.654 -2.303 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.175 5.502 -3.588 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.328 3.922 -4.274 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.285 2.911 -3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.449 3.764 -3.919 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.201 3.216 -2.417 1.00 0.00 H new ATOM 123 N PRO A 10 1.926 6.331 -0.240 1.00 0.00 N ATOM 124 CA PRO A 10 2.033 7.370 0.789 1.00 0.00 C ATOM 125 C PRO A 10 1.524 8.732 0.309 1.00 0.00 C ATOM 126 O PRO A 10 0.940 9.495 1.079 1.00 0.00 O ATOM 127 CB PRO A 10 3.534 7.429 1.073 1.00 0.00 C ATOM 128 CG PRO A 10 4.178 6.969 -0.190 1.00 0.00 C ATOM 129 CD PRO A 10 3.244 5.951 -0.782 1.00 0.00 C ATOM 0 HA PRO A 10 1.425 7.139 1.664 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.848 8.440 1.332 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.804 6.787 1.911 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.333 7.802 -0.875 1.00 0.00 H new ATOM 0 HG3 PRO A 10 5.157 6.533 0.007 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.254 5.984 -1.871 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.520 4.937 -0.491 1.00 0.00 H new ATOM 137 N ASN A 11 1.767 9.039 -0.960 1.00 0.00 N ATOM 138 CA ASN A 11 1.357 10.316 -1.540 1.00 0.00 C ATOM 139 C ASN A 11 1.262 10.222 -3.059 1.00 0.00 C ATOM 140 O ASN A 11 1.905 10.986 -3.787 1.00 0.00 O ATOM 141 CB ASN A 11 2.339 11.431 -1.150 1.00 0.00 C ATOM 142 CG ASN A 11 3.792 10.996 -1.227 1.00 0.00 C ATOM 143 OD1 ASN A 11 4.339 10.446 -0.272 1.00 0.00 O ATOM 144 ND2 ASN A 11 4.424 11.222 -2.366 1.00 0.00 N ATOM 0 H ASN A 11 2.248 8.419 -1.611 1.00 0.00 H new ATOM 0 HA ASN A 11 0.371 10.557 -1.143 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.187 12.288 -1.807 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.118 11.764 -0.136 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.398 10.938 -2.474 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.938 11.681 -3.137 1.00 0.00 H new ATOM 151 N GLY A 12 0.452 9.286 -3.531 1.00 0.00 N ATOM 152 CA GLY A 12 0.277 9.099 -4.958 1.00 0.00 C ATOM 153 C GLY A 12 1.496 8.467 -5.586 1.00 0.00 C ATOM 154 O GLY A 12 1.913 8.847 -6.679 1.00 0.00 O ATOM 0 H GLY A 12 -0.091 8.649 -2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.595 8.470 -5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.080 10.061 -5.431 1.00 0.00 H new ATOM 158 N SER A 13 2.069 7.506 -4.882 1.00 0.00 N ATOM 159 CA SER A 13 3.255 6.811 -5.348 1.00 0.00 C ATOM 160 C SER A 13 3.215 5.355 -4.899 1.00 0.00 C ATOM 161 O SER A 13 3.838 4.986 -3.905 1.00 0.00 O ATOM 162 CB SER A 13 4.515 7.496 -4.809 1.00 0.00 C ATOM 163 OG SER A 13 4.507 8.886 -5.100 1.00 0.00 O ATOM 0 H SER A 13 1.727 7.187 -3.976 1.00 0.00 H new ATOM 0 HA SER A 13 3.279 6.844 -6.437 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.580 7.348 -3.731 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.399 7.035 -5.248 1.00 0.00 H new ATOM 0 HG SER A 13 5.321 9.299 -4.744 1.00 0.00 H new ATOM 169 N GLN A 14 2.463 4.541 -5.627 1.00 0.00 N ATOM 170 CA GLN A 14 2.327 3.131 -5.308 1.00 0.00 C ATOM 171 C GLN A 14 3.664 2.420 -5.449 1.00 0.00 C ATOM 172 O GLN A 14 4.219 2.328 -6.546 1.00 0.00 O ATOM 173 CB GLN A 14 1.293 2.473 -6.227 1.00 0.00 C ATOM 174 CG GLN A 14 1.135 0.980 -5.991 1.00 0.00 C ATOM 175 CD GLN A 14 0.175 0.334 -6.966 1.00 0.00 C ATOM 176 OE1 GLN A 14 0.404 0.337 -8.176 1.00 0.00 O ATOM 177 NE2 GLN A 14 -0.907 -0.230 -6.452 1.00 0.00 N ATOM 0 H GLN A 14 1.935 4.838 -6.448 1.00 0.00 H new ATOM 0 HA GLN A 14 1.990 3.047 -4.275 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.328 2.960 -6.083 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.582 2.640 -7.265 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.109 0.498 -6.073 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.781 0.812 -4.974 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.062 -0.212 -5.444 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.586 -0.683 -7.064 1.00 0.00 H new ATOM 186 N GLY A 15 4.167 1.924 -4.332 1.00 0.00 N ATOM 187 CA GLY A 15 5.431 1.218 -4.334 1.00 0.00 C ATOM 188 C GLY A 15 5.291 -0.173 -4.915 1.00 0.00 C ATOM 189 O GLY A 15 5.815 -0.458 -5.992 1.00 0.00 O ATOM 0 H GLY A 15 3.720 1.998 -3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.163 1.782 -4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.813 1.151 -3.315 1.00 0.00 H new ATOM 193 N ASN A 16 4.566 -1.034 -4.206 1.00 0.00 N ATOM 194 CA ASN A 16 4.334 -2.409 -4.647 1.00 0.00 C ATOM 195 C ASN A 16 3.412 -3.132 -3.668 1.00 0.00 C ATOM 196 O ASN A 16 3.404 -2.838 -2.472 1.00 0.00 O ATOM 197 CB ASN A 16 5.652 -3.188 -4.793 1.00 0.00 C ATOM 198 CG ASN A 16 6.337 -3.475 -3.469 1.00 0.00 C ATOM 199 OD1 ASN A 16 6.754 -2.562 -2.756 1.00 0.00 O ATOM 200 ND2 ASN A 16 6.463 -4.750 -3.134 1.00 0.00 N ATOM 0 H ASN A 16 4.125 -0.802 -3.316 1.00 0.00 H new ATOM 0 HA ASN A 16 3.858 -2.363 -5.627 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.453 -4.131 -5.302 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.332 -2.620 -5.429 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.919 -5.004 -2.258 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.104 -5.478 -3.752 1.00 0.00 H new ATOM 207 N CYS A 17 2.637 -4.074 -4.184 1.00 0.00 N ATOM 208 CA CYS A 17 1.713 -4.845 -3.366 1.00 0.00 C ATOM 209 C CYS A 17 1.436 -6.194 -4.012 1.00 0.00 C ATOM 210 O CYS A 17 1.240 -6.288 -5.223 1.00 0.00 O ATOM 211 CB CYS A 17 0.397 -4.090 -3.164 1.00 0.00 C ATOM 212 SG CYS A 17 -0.788 -4.934 -2.065 1.00 0.00 S ATOM 0 H CYS A 17 2.630 -4.324 -5.173 1.00 0.00 H new ATOM 0 HA CYS A 17 2.177 -5.000 -2.392 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.616 -3.104 -2.755 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.073 -3.935 -4.135 1.00 0.00 H new ATOM 217 N CYS A 18 1.445 -7.234 -3.194 1.00 0.00 N ATOM 218 CA CYS A 18 1.219 -8.596 -3.658 1.00 0.00 C ATOM 219 C CYS A 18 -0.173 -8.747 -4.264 1.00 0.00 C ATOM 220 O CYS A 18 -0.332 -9.337 -5.334 1.00 0.00 O ATOM 221 CB CYS A 18 1.386 -9.563 -2.486 1.00 0.00 C ATOM 222 SG CYS A 18 1.791 -11.275 -2.956 1.00 0.00 S ATOM 0 H CYS A 18 1.609 -7.159 -2.190 1.00 0.00 H new ATOM 0 HA CYS A 18 1.950 -8.825 -4.434 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.172 -9.186 -1.832 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.464 -9.570 -1.905 1.00 0.00 H new ATOM 227 N SER A 19 -1.174 -8.218 -3.575 1.00 0.00 N ATOM 228 CA SER A 19 -2.548 -8.301 -4.043 1.00 0.00 C ATOM 229 C SER A 19 -2.896 -7.107 -4.923 1.00 0.00 C ATOM 230 O SER A 19 -3.642 -7.229 -5.894 1.00 0.00 O ATOM 231 CB SER A 19 -3.499 -8.377 -2.849 1.00 0.00 C ATOM 232 OG SER A 19 -3.216 -7.357 -1.901 1.00 0.00 O ATOM 0 H SER A 19 -1.059 -7.726 -2.689 1.00 0.00 H new ATOM 0 HA SER A 19 -2.656 -9.204 -4.643 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.528 -8.281 -3.194 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.412 -9.354 -2.373 1.00 0.00 H new ATOM 0 HG SER A 19 -3.840 -7.428 -1.148 1.00 0.00 H new ATOM 238 N GLY A 20 -2.359 -5.951 -4.564 1.00 0.00 N ATOM 239 CA GLY A 20 -2.628 -4.741 -5.306 1.00 0.00 C ATOM 240 C GLY A 20 -3.913 -4.087 -4.849 1.00 0.00 C ATOM 241 O GLY A 20 -4.488 -3.257 -5.554 1.00 0.00 O ATOM 0 H GLY A 20 -1.737 -5.831 -3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.799 -4.044 -5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.694 -4.972 -6.369 1.00 0.00 H new ATOM 245 N TYR A 21 -4.352 -4.451 -3.652 1.00 0.00 N ATOM 246 CA TYR A 21 -5.566 -3.891 -3.079 1.00 0.00 C ATOM 247 C TYR A 21 -5.197 -2.748 -2.144 1.00 0.00 C ATOM 248 O TYR A 21 -5.522 -2.755 -0.952 1.00 0.00 O ATOM 249 CB TYR A 21 -6.372 -4.958 -2.333 1.00 0.00 C ATOM 250 CG TYR A 21 -7.781 -4.516 -1.996 1.00 0.00 C ATOM 251 CD1 TYR A 21 -8.694 -4.214 -2.998 1.00 0.00 C ATOM 252 CD2 TYR A 21 -8.193 -4.392 -0.678 1.00 0.00 C ATOM 253 CE1 TYR A 21 -9.977 -3.804 -2.694 1.00 0.00 C ATOM 254 CE2 TYR A 21 -9.472 -3.982 -0.365 1.00 0.00 C ATOM 255 CZ TYR A 21 -10.360 -3.689 -1.376 1.00 0.00 C ATOM 256 OH TYR A 21 -11.633 -3.277 -1.062 1.00 0.00 O ATOM 0 H TYR A 21 -3.883 -5.134 -3.058 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.194 -3.514 -3.886 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.417 -5.861 -2.942 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.851 -5.220 -1.412 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.396 -4.301 -4.032 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.500 -4.621 0.118 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -10.676 -3.575 -3.485 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.776 -3.891 0.667 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.738 -3.251 -0.088 1.00 0.00 H new ATOM 266 N CYS A 22 -4.494 -1.780 -2.697 1.00 0.00 N ATOM 267 CA CYS A 22 -4.041 -0.619 -1.953 1.00 0.00 C ATOM 268 C CYS A 22 -5.192 0.351 -1.706 1.00 0.00 C ATOM 269 O CYS A 22 -5.261 1.422 -2.312 1.00 0.00 O ATOM 270 CB CYS A 22 -2.920 0.067 -2.727 1.00 0.00 C ATOM 271 SG CYS A 22 -1.597 -1.063 -3.265 1.00 0.00 S ATOM 0 H CYS A 22 -4.219 -1.775 -3.679 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.666 -0.942 -0.982 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -3.344 0.558 -3.603 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -2.486 0.848 -2.103 1.00 0.00 H new ATOM 276 N HIS A 23 -6.107 -0.035 -0.830 1.00 0.00 N ATOM 277 CA HIS A 23 -7.251 0.787 -0.519 1.00 0.00 C ATOM 278 C HIS A 23 -6.844 1.907 0.433 1.00 0.00 C ATOM 279 O HIS A 23 -6.101 1.677 1.392 1.00 0.00 O ATOM 280 CB HIS A 23 -8.382 -0.084 0.055 1.00 0.00 C ATOM 281 CG HIS A 23 -8.315 -0.377 1.529 1.00 0.00 C ATOM 282 ND1 HIS A 23 -7.262 -1.033 2.129 1.00 0.00 N ATOM 283 CD2 HIS A 23 -9.212 -0.138 2.515 1.00 0.00 C ATOM 284 CE1 HIS A 23 -7.522 -1.189 3.412 1.00 0.00 C ATOM 285 NE2 HIS A 23 -8.695 -0.656 3.672 1.00 0.00 N ATOM 0 H HIS A 23 -6.073 -0.919 -0.323 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.629 1.254 -1.428 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -9.332 0.408 -0.153 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.390 -1.032 -0.482 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -6.415 -1.348 1.655 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -10.160 0.368 2.408 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.878 -1.674 4.130 1.00 0.00 H new ATOM 294 N LYS A 24 -7.315 3.115 0.160 1.00 0.00 N ATOM 295 CA LYS A 24 -6.985 4.258 0.993 1.00 0.00 C ATOM 296 C LYS A 24 -7.917 5.429 0.732 1.00 0.00 C ATOM 297 O LYS A 24 -8.386 5.633 -0.389 1.00 0.00 O ATOM 298 CB LYS A 24 -5.534 4.711 0.775 1.00 0.00 C ATOM 299 CG LYS A 24 -5.255 5.301 -0.600 1.00 0.00 C ATOM 300 CD LYS A 24 -3.933 6.059 -0.626 1.00 0.00 C ATOM 301 CE LYS A 24 -3.964 7.274 0.290 1.00 0.00 C ATOM 302 NZ LYS A 24 -2.695 8.047 0.240 1.00 0.00 N ATOM 0 H LYS A 24 -7.925 3.327 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.106 3.933 2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.281 5.453 1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.873 3.858 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.232 4.503 -1.342 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.066 5.973 -0.880 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.126 5.393 -0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.716 6.377 -1.646 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.793 7.921 0.004 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.150 6.950 1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.427 8.338 1.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.943 7.454 -0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.826 8.891 -0.353 1.00 0.00 H new ATOM 316 N GLN A 25 -8.153 6.202 1.777 1.00 0.00 N ATOM 317 CA GLN A 25 -8.992 7.381 1.701 1.00 0.00 C ATOM 318 C GLN A 25 -8.125 8.607 1.954 1.00 0.00 C ATOM 319 O GLN A 25 -7.064 8.490 2.569 1.00 0.00 O ATOM 320 CB GLN A 25 -10.131 7.306 2.723 1.00 0.00 C ATOM 321 CG GLN A 25 -11.101 6.160 2.481 1.00 0.00 C ATOM 322 CD GLN A 25 -11.633 6.137 1.062 1.00 0.00 C ATOM 323 OE1 GLN A 25 -12.086 7.156 0.537 1.00 0.00 O ATOM 324 NE2 GLN A 25 -11.590 4.976 0.432 1.00 0.00 N ATOM 0 H GLN A 25 -7.766 6.028 2.705 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.444 7.445 0.711 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.705 7.204 3.721 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.683 8.246 2.707 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.601 5.215 2.693 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.936 6.242 3.177 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.207 4.155 0.901 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.940 4.901 -0.523 1.00 0.00 H new ATOM 333 N PRO A 26 -8.531 9.792 1.464 1.00 0.00 N ATOM 334 CA PRO A 26 -7.759 11.035 1.628 1.00 0.00 C ATOM 335 C PRO A 26 -7.718 11.550 3.074 1.00 0.00 C ATOM 336 O PRO A 26 -7.644 12.759 3.311 1.00 0.00 O ATOM 337 CB PRO A 26 -8.491 12.044 0.732 1.00 0.00 C ATOM 338 CG PRO A 26 -9.412 11.236 -0.119 1.00 0.00 C ATOM 339 CD PRO A 26 -9.752 10.017 0.684 1.00 0.00 C ATOM 0 HA PRO A 26 -6.714 10.876 1.363 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -9.045 12.768 1.329 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.786 12.607 0.120 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -10.310 11.802 -0.369 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -8.935 10.963 -1.060 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.617 10.184 1.326 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.988 9.165 0.046 1.00 0.00 H new ATOM 347 N GLY A 27 -7.746 10.636 4.034 1.00 0.00 N ATOM 348 CA GLY A 27 -7.692 11.016 5.428 1.00 0.00 C ATOM 349 C GLY A 27 -6.334 10.738 6.031 1.00 0.00 C ATOM 350 O GLY A 27 -5.728 11.615 6.653 1.00 0.00 O ATOM 0 H GLY A 27 -7.806 9.631 3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.923 12.077 5.525 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.455 10.471 5.984 1.00 0.00 H new ATOM 354 N TRP A 28 -5.846 9.519 5.841 1.00 0.00 N ATOM 355 CA TRP A 28 -4.543 9.136 6.362 1.00 0.00 C ATOM 356 C TRP A 28 -3.451 9.413 5.334 1.00 0.00 C ATOM 357 O TRP A 28 -3.717 9.983 4.272 1.00 0.00 O ATOM 358 CB TRP A 28 -4.537 7.669 6.815 1.00 0.00 C ATOM 359 CG TRP A 28 -4.933 6.682 5.760 1.00 0.00 C ATOM 360 CD1 TRP A 28 -4.408 6.563 4.510 1.00 0.00 C ATOM 361 CD2 TRP A 28 -5.938 5.669 5.873 1.00 0.00 C ATOM 362 NE1 TRP A 28 -5.020 5.536 3.838 1.00 0.00 N ATOM 363 CE2 TRP A 28 -5.966 4.973 4.653 1.00 0.00 C ATOM 364 CE3 TRP A 28 -6.818 5.283 6.889 1.00 0.00 C ATOM 365 CZ2 TRP A 28 -6.836 3.913 4.420 1.00 0.00 C ATOM 366 CZ3 TRP A 28 -7.683 4.232 6.655 1.00 0.00 C ATOM 367 CH2 TRP A 28 -7.685 3.557 5.428 1.00 0.00 C ATOM 0 H TRP A 28 -6.332 8.781 5.331 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.333 9.745 7.241 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.538 7.418 7.170 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.213 7.563 7.663 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.624 7.186 4.106 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.806 5.240 2.886 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.821 5.797 7.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.840 3.390 3.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.369 3.926 7.431 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.372 2.738 5.276 1.00 0.00 H new ATOM 378 N VAL A 29 -2.222 9.034 5.653 1.00 0.00 N ATOM 379 CA VAL A 29 -1.103 9.274 4.752 1.00 0.00 C ATOM 380 C VAL A 29 -0.948 8.161 3.711 1.00 0.00 C ATOM 381 O VAL A 29 -1.347 8.320 2.557 1.00 0.00 O ATOM 382 CB VAL A 29 0.221 9.444 5.533 1.00 0.00 C ATOM 383 CG1 VAL A 29 1.364 9.804 4.593 1.00 0.00 C ATOM 384 CG2 VAL A 29 0.069 10.501 6.617 1.00 0.00 C ATOM 0 H VAL A 29 -1.975 8.562 6.523 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.327 10.201 4.225 1.00 0.00 H new ATOM 0 HB VAL A 29 0.459 8.492 6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.284 9.918 5.166 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.492 9.012 3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.135 10.740 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.010 10.607 7.156 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.197 11.454 6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.715 10.200 7.312 1.00 0.00 H new ATOM 394 N ALA A 30 -0.351 7.048 4.110 1.00 0.00 N ATOM 395 CA ALA A 30 -0.119 5.937 3.198 1.00 0.00 C ATOM 396 C ALA A 30 -1.238 4.905 3.226 1.00 0.00 C ATOM 397 O ALA A 30 -1.679 4.479 4.292 1.00 0.00 O ATOM 398 CB ALA A 30 1.210 5.268 3.519 1.00 0.00 C ATOM 0 H ALA A 30 -0.018 6.890 5.061 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.094 6.354 2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.375 4.438 2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.017 5.993 3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.191 4.893 4.542 1.00 0.00 H new ATOM 404 N GLY A 31 -1.658 4.484 2.038 1.00 0.00 N ATOM 405 CA GLY A 31 -2.685 3.467 1.921 1.00 0.00 C ATOM 406 C GLY A 31 -2.099 2.095 2.162 1.00 0.00 C ATOM 407 O GLY A 31 -0.897 1.906 1.984 1.00 0.00 O ATOM 0 H GLY A 31 -1.302 4.832 1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.481 3.661 2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.135 3.508 0.929 1.00 0.00 H new ATOM 411 N TYR A 32 -2.916 1.138 2.568 1.00 0.00 N ATOM 412 CA TYR A 32 -2.412 -0.201 2.828 1.00 0.00 C ATOM 413 C TYR A 32 -3.291 -1.269 2.190 1.00 0.00 C ATOM 414 O TYR A 32 -4.501 -1.097 2.031 1.00 0.00 O ATOM 415 CB TYR A 32 -2.247 -0.443 4.338 1.00 0.00 C ATOM 416 CG TYR A 32 -3.411 0.016 5.194 1.00 0.00 C ATOM 417 CD1 TYR A 32 -4.669 -0.556 5.069 1.00 0.00 C ATOM 418 CD2 TYR A 32 -3.243 1.025 6.134 1.00 0.00 C ATOM 419 CE1 TYR A 32 -5.725 -0.137 5.856 1.00 0.00 C ATOM 420 CE2 TYR A 32 -4.295 1.448 6.924 1.00 0.00 C ATOM 421 CZ TYR A 32 -5.533 0.862 6.780 1.00 0.00 C ATOM 422 OH TYR A 32 -6.585 1.276 7.564 1.00 0.00 O ATOM 0 H TYR A 32 -3.917 1.259 2.723 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.428 -0.276 2.365 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.092 -1.509 4.505 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.345 0.067 4.675 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.826 -1.342 4.345 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.274 1.487 6.249 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.698 -0.593 5.745 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.147 2.234 7.650 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.969 2.096 7.190 1.00 0.00 H new ATOM 432 N CYS A 33 -2.657 -2.362 1.804 1.00 0.00 N ATOM 433 CA CYS A 33 -3.345 -3.468 1.160 1.00 0.00 C ATOM 434 C CYS A 33 -4.189 -4.255 2.156 1.00 0.00 C ATOM 435 O CYS A 33 -3.760 -4.523 3.278 1.00 0.00 O ATOM 436 CB CYS A 33 -2.330 -4.391 0.497 1.00 0.00 C ATOM 437 SG CYS A 33 -1.208 -3.538 -0.656 1.00 0.00 S ATOM 0 H CYS A 33 -1.655 -2.508 1.927 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.014 -3.056 0.405 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.738 -4.881 1.270 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.863 -5.175 -0.041 1.00 0.00 H new ATOM 442 N ARG A 34 -5.381 -4.631 1.725 1.00 0.00 N ATOM 443 CA ARG A 34 -6.302 -5.402 2.549 1.00 0.00 C ATOM 444 C ARG A 34 -6.597 -6.722 1.848 1.00 0.00 C ATOM 445 O ARG A 34 -6.797 -6.741 0.633 1.00 0.00 O ATOM 446 CB ARG A 34 -7.603 -4.617 2.754 1.00 0.00 C ATOM 447 CG ARG A 34 -8.544 -5.218 3.787 1.00 0.00 C ATOM 448 CD ARG A 34 -9.944 -4.631 3.663 1.00 0.00 C ATOM 449 NE ARG A 34 -10.782 -4.922 4.829 1.00 0.00 N ATOM 450 CZ ARG A 34 -12.112 -4.777 4.845 1.00 0.00 C ATOM 451 NH1 ARG A 34 -12.760 -4.442 3.736 1.00 0.00 N ATOM 452 NH2 ARG A 34 -12.798 -4.988 5.961 1.00 0.00 N ATOM 0 H ARG A 34 -5.739 -4.412 0.795 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.854 -5.593 3.524 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.355 -3.599 3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.126 -4.549 1.800 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.587 -6.299 3.658 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.156 -5.032 4.788 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.871 -3.551 3.533 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.423 -5.028 2.768 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.325 -5.255 5.678 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.244 -4.294 2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.774 -4.332 3.751 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.312 -5.263 6.814 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.812 -4.875 5.965 1.00 0.00 H new ATOM 466 N ARG A 35 -6.624 -7.819 2.588 1.00 0.00 N ATOM 467 CA ARG A 35 -6.904 -9.118 1.988 1.00 0.00 C ATOM 468 C ARG A 35 -7.852 -9.926 2.854 1.00 0.00 C ATOM 469 O ARG A 35 -7.549 -10.238 4.005 1.00 0.00 O ATOM 470 CB ARG A 35 -5.619 -9.915 1.749 1.00 0.00 C ATOM 471 CG ARG A 35 -4.724 -9.329 0.671 1.00 0.00 C ATOM 472 CD ARG A 35 -3.548 -10.241 0.364 1.00 0.00 C ATOM 473 NE ARG A 35 -2.707 -10.477 1.536 1.00 0.00 N ATOM 474 CZ ARG A 35 -1.565 -11.164 1.505 1.00 0.00 C ATOM 475 NH1 ARG A 35 -1.113 -11.658 0.357 1.00 0.00 N ATOM 476 NH2 ARG A 35 -0.868 -11.349 2.616 1.00 0.00 N ATOM 0 H ARG A 35 -6.458 -7.839 3.594 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.378 -8.929 1.025 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -5.059 -9.971 2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.882 -10.936 1.474 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.305 -9.166 -0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.356 -8.355 0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.919 -11.194 -0.012 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.946 -9.798 -0.429 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.012 -10.093 2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.640 -11.512 -0.504 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.239 -12.183 0.337 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.205 -10.965 3.499 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.005 -11.875 2.588 1.00 0.00 H new ATOM 490 N LYS A 36 -8.991 -10.271 2.277 1.00 0.00 N ATOM 491 CA LYS A 36 -10.010 -11.059 2.955 1.00 0.00 C ATOM 492 C LYS A 36 -10.759 -11.883 1.924 1.00 0.00 C ATOM 493 O LYS A 36 -10.713 -11.510 0.734 1.00 0.00 O ATOM 494 CB LYS A 36 -11.000 -10.164 3.714 1.00 0.00 C ATOM 495 CG LYS A 36 -10.395 -9.433 4.900 1.00 0.00 C ATOM 496 CD LYS A 36 -11.453 -8.697 5.702 1.00 0.00 C ATOM 497 CE LYS A 36 -10.853 -8.015 6.920 1.00 0.00 C ATOM 498 NZ LYS A 36 -10.177 -8.979 7.830 1.00 0.00 N ATOM 499 OXT LYS A 36 -11.384 -12.894 2.296 1.00 0.00 O ATOM 0 H LYS A 36 -9.237 -10.012 1.322 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.521 -11.708 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.414 -9.431 3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.831 -10.776 4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.880 -10.146 5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.646 -8.724 4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.939 -7.954 5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.224 -9.399 6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.136 -7.261 6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.639 -7.493 7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.024 -8.533 8.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.773 -9.823 7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.260 -9.256 7.424 1.00 0.00 H new TER 513 LYS A 36