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 23 HIS : no HD1:sc= -0.657 K(o=-1.1,f=0.57) USER MOD Set 1.2: A 32 TYR OH : rot -147:sc= -0.467 USER MOD Set 2.1: A 6 ASN : amide:sc= -0.416 K(o=-1.9,f=-4.1!) USER MOD Set 2.2: A 16 ASN : amide:sc= -1.52! X(o=-1.9!,f=-1.8) USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 164:sc= -0.0392 (180deg=-0.258) USER MOD Single : A 4 ASN : amide:sc= -0.0547 K(o=-0.055,f=-2.2!) USER MOD Single : A 9 GLN : amide:sc= -1.18! K(o=-1.2!,f=0.33) USER MOD Single : A 11 ASN : amide:sc= 0.183 K(o=0.18,f=-10!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc=-0.00828 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0743) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0826) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 5.669 -7.448 0.207 1.00 0.00 N ATOM 2 CA CYS A 1 4.406 -7.442 -0.562 1.00 0.00 C ATOM 3 C CYS A 1 3.209 -7.435 0.394 1.00 0.00 C ATOM 4 O CYS A 1 3.168 -6.633 1.327 1.00 0.00 O ATOM 5 CB CYS A 1 4.395 -8.669 -1.493 1.00 0.00 C ATOM 6 SG CYS A 1 2.990 -8.734 -2.665 1.00 0.00 S ATOM 0 H1 CYS A 1 6.475 -7.453 -0.450 1.00 0.00 H new ATOM 0 H2 CYS A 1 5.715 -6.599 0.806 1.00 0.00 H new ATOM 0 H3 CYS A 1 5.706 -8.297 0.807 1.00 0.00 H new ATOM 0 HA CYS A 1 4.332 -6.542 -1.172 1.00 0.00 H new ATOM 0 HB2 CYS A 1 5.325 -8.684 -2.062 1.00 0.00 H new ATOM 0 HB3 CYS A 1 4.381 -9.571 -0.881 1.00 0.00 H new ATOM 13 N ILE A 2 2.231 -8.309 0.166 1.00 0.00 N ATOM 14 CA ILE A 2 1.047 -8.364 1.014 1.00 0.00 C ATOM 15 C ILE A 2 1.395 -8.805 2.431 1.00 0.00 C ATOM 16 O ILE A 2 1.903 -9.909 2.640 1.00 0.00 O ATOM 17 CB ILE A 2 -0.010 -9.340 0.459 1.00 0.00 C ATOM 18 CG1 ILE A 2 -0.244 -9.096 -1.031 1.00 0.00 C ATOM 19 CG2 ILE A 2 -1.316 -9.194 1.231 1.00 0.00 C ATOM 20 CD1 ILE A 2 -1.205 -10.083 -1.657 1.00 0.00 C ATOM 0 H ILE A 2 2.237 -8.986 -0.597 1.00 0.00 H new ATOM 0 HA ILE A 2 0.641 -7.353 1.028 1.00 0.00 H new ATOM 0 HB ILE A 2 0.362 -10.357 0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.630 -8.086 -1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.711 -9.147 -1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.055 -9.888 0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.143 -9.416 2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.685 -8.173 1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.326 -9.852 -2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.811 -11.093 -1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.172 -10.016 -1.158 1.00 0.00 H new ATOM 32 N LYS A 3 1.112 -7.942 3.398 1.00 0.00 N ATOM 33 CA LYS A 3 1.376 -8.241 4.788 1.00 0.00 C ATOM 34 C LYS A 3 0.423 -7.458 5.685 1.00 0.00 C ATOM 35 O LYS A 3 0.706 -7.230 6.861 1.00 0.00 O ATOM 36 CB LYS A 3 2.829 -7.907 5.124 1.00 0.00 C ATOM 37 CG LYS A 3 3.315 -8.599 6.376 1.00 0.00 C ATOM 38 CD LYS A 3 4.767 -8.264 6.690 1.00 0.00 C ATOM 39 CE LYS A 3 4.933 -6.817 7.123 1.00 0.00 C ATOM 40 NZ LYS A 3 4.208 -6.523 8.389 1.00 0.00 N ATOM 0 H LYS A 3 0.697 -7.024 3.237 1.00 0.00 H new ATOM 0 HA LYS A 3 1.214 -9.305 4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.466 -8.192 4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.930 -6.829 5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.686 -8.308 7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.210 -9.677 6.257 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.129 -8.923 7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.382 -8.453 5.810 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.993 -6.598 7.254 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.566 -6.159 6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.557 -5.629 8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.190 -6.441 8.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.370 -7.293 9.069 1.00 0.00 H new ATOM 54 N ASN A 4 -0.730 -7.096 5.116 1.00 0.00 N ATOM 55 CA ASN A 4 -1.792 -6.371 5.827 1.00 0.00 C ATOM 56 C ASN A 4 -1.321 -5.023 6.383 1.00 0.00 C ATOM 57 O ASN A 4 -0.388 -4.947 7.179 1.00 0.00 O ATOM 58 CB ASN A 4 -2.355 -7.240 6.952 1.00 0.00 C ATOM 59 CG ASN A 4 -3.107 -8.451 6.431 1.00 0.00 C ATOM 60 OD1 ASN A 4 -2.973 -8.838 5.269 1.00 0.00 O ATOM 61 ND2 ASN A 4 -3.886 -9.071 7.293 1.00 0.00 N ATOM 0 H ASN A 4 -0.956 -7.298 4.142 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.575 -6.156 5.100 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.539 -7.572 7.594 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.023 -6.640 7.570 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.404 -9.902 7.007 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.971 -8.720 8.247 1.00 0.00 H new ATOM 68 N GLY A 5 -1.986 -3.958 5.961 1.00 0.00 N ATOM 69 CA GLY A 5 -1.640 -2.623 6.421 1.00 0.00 C ATOM 70 C GLY A 5 -0.258 -2.191 5.971 1.00 0.00 C ATOM 71 O GLY A 5 0.361 -1.319 6.577 1.00 0.00 O ATOM 0 H GLY A 5 -2.765 -3.992 5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.378 -1.912 6.049 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.689 -2.594 7.509 1.00 0.00 H new ATOM 75 N ASN A 6 0.223 -2.803 4.901 1.00 0.00 N ATOM 76 CA ASN A 6 1.536 -2.478 4.363 1.00 0.00 C ATOM 77 C ASN A 6 1.425 -1.275 3.434 1.00 0.00 C ATOM 78 O ASN A 6 0.324 -0.927 3.008 1.00 0.00 O ATOM 79 CB ASN A 6 2.120 -3.690 3.629 1.00 0.00 C ATOM 80 CG ASN A 6 3.635 -3.662 3.568 1.00 0.00 C ATOM 81 OD1 ASN A 6 4.232 -2.845 2.869 1.00 0.00 O ATOM 82 ND2 ASN A 6 4.266 -4.548 4.320 1.00 0.00 N ATOM 0 H ASN A 6 -0.276 -3.529 4.387 1.00 0.00 H new ATOM 0 HA ASN A 6 2.211 -2.223 5.180 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.797 -4.603 4.129 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.720 -3.723 2.616 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.286 -4.571 4.335 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.733 -5.209 4.886 1.00 0.00 H new ATOM 89 N GLY A 7 2.551 -0.636 3.138 1.00 0.00 N ATOM 90 CA GLY A 7 2.551 0.530 2.271 1.00 0.00 C ATOM 91 C GLY A 7 2.134 0.215 0.845 1.00 0.00 C ATOM 92 O GLY A 7 2.974 -0.068 -0.010 1.00 0.00 O ATOM 0 H GLY A 7 3.471 -0.906 3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.876 1.281 2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.549 0.968 2.262 1.00 0.00 H new ATOM 96 N CYS A 8 0.836 0.272 0.585 1.00 0.00 N ATOM 97 CA CYS A 8 0.311 -0.001 -0.744 1.00 0.00 C ATOM 98 C CYS A 8 0.397 1.254 -1.594 1.00 0.00 C ATOM 99 O CYS A 8 0.626 1.190 -2.796 1.00 0.00 O ATOM 100 CB CYS A 8 -1.136 -0.482 -0.667 1.00 0.00 C ATOM 101 SG CYS A 8 -1.544 -1.792 -1.867 1.00 0.00 S ATOM 0 H CYS A 8 0.126 0.505 1.279 1.00 0.00 H new ATOM 0 HA CYS A 8 0.909 -0.790 -1.200 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.333 -0.851 0.340 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.800 0.367 -0.831 1.00 0.00 H new ATOM 106 N GLN A 9 0.226 2.398 -0.949 1.00 0.00 N ATOM 107 CA GLN A 9 0.297 3.681 -1.629 1.00 0.00 C ATOM 108 C GLN A 9 0.687 4.772 -0.629 1.00 0.00 C ATOM 109 O GLN A 9 -0.098 5.673 -0.331 1.00 0.00 O ATOM 110 CB GLN A 9 -1.041 4.007 -2.299 1.00 0.00 C ATOM 111 CG GLN A 9 -0.960 5.155 -3.294 1.00 0.00 C ATOM 112 CD GLN A 9 -2.288 5.449 -3.970 1.00 0.00 C ATOM 113 OE1 GLN A 9 -2.395 6.371 -4.776 1.00 0.00 O ATOM 114 NE2 GLN A 9 -3.309 4.673 -3.651 1.00 0.00 N ATOM 0 H GLN A 9 0.036 2.463 0.051 1.00 0.00 H new ATOM 0 HA GLN A 9 1.058 3.632 -2.408 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.407 3.118 -2.812 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.772 4.255 -1.530 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.614 6.051 -2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.216 4.918 -4.055 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.184 3.917 -2.978 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.222 4.830 -4.078 1.00 0.00 H new ATOM 123 N PRO A 10 1.908 4.683 -0.072 1.00 0.00 N ATOM 124 CA PRO A 10 2.401 5.646 0.912 1.00 0.00 C ATOM 125 C PRO A 10 2.858 6.959 0.279 1.00 0.00 C ATOM 126 O PRO A 10 2.549 8.041 0.780 1.00 0.00 O ATOM 127 CB PRO A 10 3.584 4.916 1.551 1.00 0.00 C ATOM 128 CG PRO A 10 4.090 4.002 0.489 1.00 0.00 C ATOM 129 CD PRO A 10 2.897 3.622 -0.348 1.00 0.00 C ATOM 0 HA PRO A 10 1.624 5.938 1.619 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.356 5.617 1.869 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.274 4.360 2.436 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.849 4.495 -0.118 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.555 3.118 0.926 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.151 3.580 -1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.514 2.639 -0.073 1.00 0.00 H new ATOM 137 N ASN A 11 3.606 6.857 -0.812 1.00 0.00 N ATOM 138 CA ASN A 11 4.119 8.032 -1.507 1.00 0.00 C ATOM 139 C ASN A 11 3.060 8.660 -2.405 1.00 0.00 C ATOM 140 O ASN A 11 3.041 9.875 -2.596 1.00 0.00 O ATOM 141 CB ASN A 11 5.375 7.683 -2.317 1.00 0.00 C ATOM 142 CG ASN A 11 5.235 6.400 -3.115 1.00 0.00 C ATOM 143 OD1 ASN A 11 4.373 6.277 -3.982 1.00 0.00 O ATOM 144 ND2 ASN A 11 6.086 5.432 -2.820 1.00 0.00 N ATOM 0 H ASN A 11 3.872 5.969 -1.237 1.00 0.00 H new ATOM 0 HA ASN A 11 4.389 8.767 -0.749 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.600 8.504 -2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.223 7.590 -1.638 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.041 4.544 -3.319 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.787 5.574 -2.093 1.00 0.00 H new ATOM 151 N GLY A 12 2.190 7.834 -2.962 1.00 0.00 N ATOM 152 CA GLY A 12 1.153 8.337 -3.840 1.00 0.00 C ATOM 153 C GLY A 12 1.248 7.728 -5.218 1.00 0.00 C ATOM 154 O GLY A 12 0.236 7.458 -5.863 1.00 0.00 O ATOM 0 H GLY A 12 2.182 6.824 -2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.175 8.118 -3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.233 9.422 -3.915 1.00 0.00 H new ATOM 158 N SER A 13 2.474 7.501 -5.665 1.00 0.00 N ATOM 159 CA SER A 13 2.720 6.908 -6.965 1.00 0.00 C ATOM 160 C SER A 13 2.261 5.455 -6.967 1.00 0.00 C ATOM 161 O SER A 13 1.508 5.026 -7.843 1.00 0.00 O ATOM 162 CB SER A 13 4.211 6.982 -7.287 1.00 0.00 C ATOM 163 OG SER A 13 4.726 8.270 -6.992 1.00 0.00 O ATOM 0 H SER A 13 3.319 7.722 -5.139 1.00 0.00 H new ATOM 0 HA SER A 13 2.161 7.457 -7.722 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.750 6.229 -6.712 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.372 6.753 -8.341 1.00 0.00 H new ATOM 0 HG SER A 13 5.683 8.296 -7.204 1.00 0.00 H new ATOM 169 N GLN A 14 2.711 4.715 -5.959 1.00 0.00 N ATOM 170 CA GLN A 14 2.358 3.314 -5.805 1.00 0.00 C ATOM 171 C GLN A 14 2.814 2.834 -4.429 1.00 0.00 C ATOM 172 O GLN A 14 2.741 3.586 -3.455 1.00 0.00 O ATOM 173 CB GLN A 14 3.011 2.477 -6.913 1.00 0.00 C ATOM 174 CG GLN A 14 2.225 1.229 -7.283 1.00 0.00 C ATOM 175 CD GLN A 14 2.946 0.365 -8.294 1.00 0.00 C ATOM 176 OE1 GLN A 14 4.032 -0.147 -8.027 1.00 0.00 O ATOM 177 NE2 GLN A 14 2.351 0.196 -9.462 1.00 0.00 N ATOM 0 H GLN A 14 3.329 5.071 -5.230 1.00 0.00 H new ATOM 0 HA GLN A 14 1.277 3.197 -5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.130 3.097 -7.802 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.011 2.184 -6.593 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.033 0.645 -6.383 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.255 1.521 -7.686 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.450 0.638 -9.644 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.793 -0.377 -10.181 1.00 0.00 H new ATOM 186 N GLY A 15 3.296 1.600 -4.350 1.00 0.00 N ATOM 187 CA GLY A 15 3.761 1.060 -3.090 1.00 0.00 C ATOM 188 C GLY A 15 4.606 -0.179 -3.290 1.00 0.00 C ATOM 189 O GLY A 15 5.414 -0.236 -4.220 1.00 0.00 O ATOM 0 H GLY A 15 3.373 0.962 -5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.343 1.816 -2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.905 0.819 -2.459 1.00 0.00 H new ATOM 193 N ASN A 16 4.426 -1.172 -2.431 1.00 0.00 N ATOM 194 CA ASN A 16 5.192 -2.410 -2.543 1.00 0.00 C ATOM 195 C ASN A 16 4.317 -3.640 -2.318 1.00 0.00 C ATOM 196 O ASN A 16 4.724 -4.603 -1.671 1.00 0.00 O ATOM 197 CB ASN A 16 6.405 -2.411 -1.588 1.00 0.00 C ATOM 198 CG ASN A 16 6.075 -2.284 -0.102 1.00 0.00 C ATOM 199 OD1 ASN A 16 6.979 -2.164 0.724 1.00 0.00 O ATOM 200 ND2 ASN A 16 4.802 -2.317 0.262 1.00 0.00 N ATOM 0 H ASN A 16 3.764 -1.148 -1.655 1.00 0.00 H new ATOM 0 HA ASN A 16 5.570 -2.460 -3.564 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.964 -3.334 -1.740 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.065 -1.590 -1.867 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.551 -2.242 1.248 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.072 -2.417 -0.444 1.00 0.00 H new ATOM 207 N CYS A 17 3.124 -3.616 -2.886 1.00 0.00 N ATOM 208 CA CYS A 17 2.212 -4.742 -2.773 1.00 0.00 C ATOM 209 C CYS A 17 1.832 -5.243 -4.161 1.00 0.00 C ATOM 210 O CYS A 17 1.253 -4.512 -4.960 1.00 0.00 O ATOM 211 CB CYS A 17 0.965 -4.371 -1.958 1.00 0.00 C ATOM 212 SG CYS A 17 1.175 -4.571 -0.153 1.00 0.00 S ATOM 0 H CYS A 17 2.764 -2.831 -3.429 1.00 0.00 H new ATOM 0 HA CYS A 17 2.719 -5.545 -2.238 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.699 -3.336 -2.171 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.130 -4.989 -2.288 1.00 0.00 H new ATOM 217 N CYS A 18 2.189 -6.492 -4.435 1.00 0.00 N ATOM 218 CA CYS A 18 1.925 -7.133 -5.721 1.00 0.00 C ATOM 219 C CYS A 18 0.427 -7.132 -6.027 1.00 0.00 C ATOM 220 O CYS A 18 -0.007 -6.741 -7.111 1.00 0.00 O ATOM 221 CB CYS A 18 2.456 -8.567 -5.673 1.00 0.00 C ATOM 222 SG CYS A 18 3.851 -8.800 -4.510 1.00 0.00 S ATOM 0 H CYS A 18 2.673 -7.094 -3.768 1.00 0.00 H new ATOM 0 HA CYS A 18 2.428 -6.579 -6.513 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.643 -9.236 -5.390 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.776 -8.860 -6.673 1.00 0.00 H new ATOM 227 N SER A 19 -0.352 -7.559 -5.048 1.00 0.00 N ATOM 228 CA SER A 19 -1.803 -7.611 -5.150 1.00 0.00 C ATOM 229 C SER A 19 -2.367 -7.501 -3.745 1.00 0.00 C ATOM 230 O SER A 19 -3.241 -8.265 -3.331 1.00 0.00 O ATOM 231 CB SER A 19 -2.261 -8.912 -5.819 1.00 0.00 C ATOM 232 OG SER A 19 -1.719 -9.033 -7.127 1.00 0.00 O ATOM 0 H SER A 19 0.007 -7.883 -4.150 1.00 0.00 H new ATOM 0 HA SER A 19 -2.165 -6.791 -5.770 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.952 -9.764 -5.214 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.350 -8.935 -5.870 1.00 0.00 H new ATOM 0 HG SER A 19 -2.025 -9.872 -7.531 1.00 0.00 H new ATOM 238 N GLY A 20 -1.815 -6.546 -3.009 1.00 0.00 N ATOM 239 CA GLY A 20 -2.199 -6.318 -1.632 1.00 0.00 C ATOM 240 C GLY A 20 -3.550 -5.665 -1.468 1.00 0.00 C ATOM 241 O GLY A 20 -4.026 -5.546 -0.342 1.00 0.00 O ATOM 0 H GLY A 20 -1.092 -5.913 -3.352 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.202 -7.272 -1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.445 -5.692 -1.155 1.00 0.00 H new ATOM 245 N TYR A 21 -4.153 -5.232 -2.576 1.00 0.00 N ATOM 246 CA TYR A 21 -5.459 -4.572 -2.542 1.00 0.00 C ATOM 247 C TYR A 21 -5.325 -3.225 -1.845 1.00 0.00 C ATOM 248 O TYR A 21 -5.713 -3.057 -0.686 1.00 0.00 O ATOM 249 CB TYR A 21 -6.488 -5.456 -1.833 1.00 0.00 C ATOM 250 CG TYR A 21 -7.928 -5.029 -2.009 1.00 0.00 C ATOM 251 CD1 TYR A 21 -8.463 -4.808 -3.271 1.00 0.00 C ATOM 252 CD2 TYR A 21 -8.756 -4.861 -0.906 1.00 0.00 C ATOM 253 CE1 TYR A 21 -9.784 -4.434 -3.428 1.00 0.00 C ATOM 254 CE2 TYR A 21 -10.075 -4.484 -1.055 1.00 0.00 C ATOM 255 CZ TYR A 21 -10.584 -4.273 -2.317 1.00 0.00 C ATOM 256 OH TYR A 21 -11.903 -3.907 -2.468 1.00 0.00 O ATOM 0 H TYR A 21 -3.756 -5.327 -3.511 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.809 -4.409 -3.561 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.380 -6.477 -2.199 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.258 -5.473 -0.768 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.837 -4.930 -4.143 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.361 -5.028 0.085 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -10.188 -4.269 -4.416 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.704 -4.355 -0.187 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.326 -3.838 -1.587 1.00 0.00 H new ATOM 266 N CYS A 22 -4.728 -2.285 -2.557 1.00 0.00 N ATOM 267 CA CYS A 22 -4.485 -0.952 -2.032 1.00 0.00 C ATOM 268 C CYS A 22 -5.771 -0.245 -1.637 1.00 0.00 C ATOM 269 O CYS A 22 -6.680 -0.072 -2.452 1.00 0.00 O ATOM 270 CB CYS A 22 -3.743 -0.114 -3.070 1.00 0.00 C ATOM 271 SG CYS A 22 -2.111 -0.775 -3.522 1.00 0.00 S ATOM 0 H CYS A 22 -4.399 -2.423 -3.512 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.878 -1.063 -1.133 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.356 -0.041 -3.968 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.620 0.898 -2.685 1.00 0.00 H new ATOM 276 N HIS A 23 -5.826 0.190 -0.389 1.00 0.00 N ATOM 277 CA HIS A 23 -6.974 0.914 0.115 1.00 0.00 C ATOM 278 C HIS A 23 -6.513 2.283 0.586 1.00 0.00 C ATOM 279 O HIS A 23 -5.655 2.389 1.466 1.00 0.00 O ATOM 280 CB HIS A 23 -7.650 0.148 1.257 1.00 0.00 C ATOM 281 CG HIS A 23 -8.974 0.726 1.659 1.00 0.00 C ATOM 282 ND1 HIS A 23 -9.998 0.944 0.766 1.00 0.00 N ATOM 283 CD2 HIS A 23 -9.444 1.118 2.866 1.00 0.00 C ATOM 284 CE1 HIS A 23 -11.037 1.446 1.402 1.00 0.00 C ATOM 285 NE2 HIS A 23 -10.731 1.561 2.679 1.00 0.00 N ATOM 0 H HIS A 23 -5.082 0.052 0.295 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.711 1.025 -0.680 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.791 -0.890 0.955 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.987 0.141 2.122 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.907 1.088 3.803 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.981 1.718 0.953 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -11.348 1.920 3.408 1.00 0.00 H new ATOM 294 N LYS A 24 -7.062 3.328 -0.009 1.00 0.00 N ATOM 295 CA LYS A 24 -6.681 4.683 0.344 1.00 0.00 C ATOM 296 C LYS A 24 -7.872 5.621 0.199 1.00 0.00 C ATOM 297 O LYS A 24 -8.534 5.653 -0.839 1.00 0.00 O ATOM 298 CB LYS A 24 -5.511 5.142 -0.535 1.00 0.00 C ATOM 299 CG LYS A 24 -4.812 6.394 -0.031 1.00 0.00 C ATOM 300 CD LYS A 24 -3.472 6.597 -0.723 1.00 0.00 C ATOM 301 CE LYS A 24 -2.752 7.833 -0.206 1.00 0.00 C ATOM 302 NZ LYS A 24 -3.479 9.085 -0.536 1.00 0.00 N ATOM 0 H LYS A 24 -7.772 3.263 -0.738 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.359 4.704 1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.782 4.334 -0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.879 5.325 -1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.448 7.262 -0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.660 6.319 1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.845 5.719 -0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.628 6.690 -1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.634 7.757 0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.750 7.873 -0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.890 9.905 -0.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.688 9.107 -1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.369 9.122 0.001 1.00 0.00 H new ATOM 316 N GLN A 25 -8.142 6.365 1.260 1.00 0.00 N ATOM 317 CA GLN A 25 -9.255 7.302 1.299 1.00 0.00 C ATOM 318 C GLN A 25 -8.834 8.559 2.044 1.00 0.00 C ATOM 319 O GLN A 25 -7.910 8.508 2.860 1.00 0.00 O ATOM 320 CB GLN A 25 -10.457 6.671 2.010 1.00 0.00 C ATOM 321 CG GLN A 25 -11.047 5.468 1.298 1.00 0.00 C ATOM 322 CD GLN A 25 -12.121 4.788 2.121 1.00 0.00 C ATOM 323 OE1 GLN A 25 -11.858 4.299 3.219 1.00 0.00 O ATOM 324 NE2 GLN A 25 -13.337 4.752 1.600 1.00 0.00 N ATOM 0 H GLN A 25 -7.595 6.336 2.120 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.539 7.554 0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.154 6.371 3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.234 7.427 2.124 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.468 5.783 0.343 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.254 4.754 1.077 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.513 5.170 0.686 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.098 4.307 2.112 1.00 0.00 H new ATOM 333 N PRO A 26 -9.494 9.701 1.778 1.00 0.00 N ATOM 334 CA PRO A 26 -9.177 10.969 2.438 1.00 0.00 C ATOM 335 C PRO A 26 -9.221 10.837 3.959 1.00 0.00 C ATOM 336 O PRO A 26 -10.278 10.592 4.548 1.00 0.00 O ATOM 337 CB PRO A 26 -10.266 11.932 1.945 1.00 0.00 C ATOM 338 CG PRO A 26 -11.310 11.070 1.318 1.00 0.00 C ATOM 339 CD PRO A 26 -10.596 9.850 0.819 1.00 0.00 C ATOM 0 HA PRO A 26 -8.170 11.312 2.202 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.680 12.511 2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -9.863 12.645 1.226 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.080 10.802 2.041 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.807 11.592 0.501 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -11.247 8.976 0.812 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -10.231 9.984 -0.199 1.00 0.00 H new ATOM 347 N GLY A 27 -8.063 10.981 4.577 1.00 0.00 N ATOM 348 CA GLY A 27 -7.955 10.866 6.014 1.00 0.00 C ATOM 349 C GLY A 27 -6.557 10.464 6.424 1.00 0.00 C ATOM 350 O GLY A 27 -5.960 11.065 7.319 1.00 0.00 O ATOM 0 H GLY A 27 -7.183 11.179 4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.214 11.817 6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.670 10.128 6.378 1.00 0.00 H new ATOM 354 N TRP A 28 -6.024 9.453 5.751 1.00 0.00 N ATOM 355 CA TRP A 28 -4.679 8.975 6.030 1.00 0.00 C ATOM 356 C TRP A 28 -3.752 9.310 4.867 1.00 0.00 C ATOM 357 O TRP A 28 -4.196 9.435 3.728 1.00 0.00 O ATOM 358 CB TRP A 28 -4.683 7.473 6.345 1.00 0.00 C ATOM 359 CG TRP A 28 -5.181 6.600 5.237 1.00 0.00 C ATOM 360 CD1 TRP A 28 -4.634 6.466 4.000 1.00 0.00 C ATOM 361 CD2 TRP A 28 -6.323 5.739 5.268 1.00 0.00 C ATOM 362 NE1 TRP A 28 -5.353 5.566 3.258 1.00 0.00 N ATOM 363 CE2 TRP A 28 -6.399 5.107 4.014 1.00 0.00 C ATOM 364 CE3 TRP A 28 -7.286 5.438 6.234 1.00 0.00 C ATOM 365 CZ2 TRP A 28 -7.398 4.194 3.700 1.00 0.00 C ATOM 366 CZ3 TRP A 28 -8.281 4.532 5.920 1.00 0.00 C ATOM 367 CH2 TRP A 28 -8.329 3.918 4.663 1.00 0.00 C ATOM 0 H TRP A 28 -6.505 8.948 5.007 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.301 9.484 6.917 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.669 7.167 6.601 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.300 7.303 7.228 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.758 6.993 3.652 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.144 5.284 2.300 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -7.254 5.904 7.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.438 3.719 2.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -9.034 4.294 6.657 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.118 3.212 4.449 1.00 0.00 H new ATOM 378 N VAL A 29 -2.476 9.493 5.164 1.00 0.00 N ATOM 379 CA VAL A 29 -1.501 9.854 4.144 1.00 0.00 C ATOM 380 C VAL A 29 -1.035 8.647 3.320 1.00 0.00 C ATOM 381 O VAL A 29 -0.813 8.765 2.113 1.00 0.00 O ATOM 382 CB VAL A 29 -0.280 10.579 4.768 1.00 0.00 C ATOM 383 CG1 VAL A 29 0.445 9.693 5.770 1.00 0.00 C ATOM 384 CG2 VAL A 29 0.674 11.060 3.687 1.00 0.00 C ATOM 0 H VAL A 29 -2.089 9.398 6.103 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.009 10.537 3.463 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.656 11.448 5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.295 10.234 6.186 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.238 9.417 6.573 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.799 8.792 5.269 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.522 11.565 4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.030 10.207 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.155 11.754 3.026 1.00 0.00 H new ATOM 394 N ALA A 30 -0.861 7.497 3.959 1.00 0.00 N ATOM 395 CA ALA A 30 -0.388 6.311 3.255 1.00 0.00 C ATOM 396 C ALA A 30 -1.464 5.238 3.109 1.00 0.00 C ATOM 397 O ALA A 30 -2.065 4.805 4.094 1.00 0.00 O ATOM 398 CB ALA A 30 0.821 5.734 3.972 1.00 0.00 C ATOM 0 H ALA A 30 -1.038 7.360 4.954 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.114 6.627 2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.170 4.848 3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.617 6.478 3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.544 5.462 4.990 1.00 0.00 H new ATOM 404 N GLY A 31 -1.667 4.784 1.874 1.00 0.00 N ATOM 405 CA GLY A 31 -2.631 3.732 1.613 1.00 0.00 C ATOM 406 C GLY A 31 -2.069 2.388 2.023 1.00 0.00 C ATOM 407 O GLY A 31 -0.911 2.086 1.731 1.00 0.00 O ATOM 0 H GLY A 31 -1.178 5.129 1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.552 3.930 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.886 3.719 0.553 1.00 0.00 H new ATOM 411 N TYR A 32 -2.862 1.596 2.720 1.00 0.00 N ATOM 412 CA TYR A 32 -2.408 0.295 3.195 1.00 0.00 C ATOM 413 C TYR A 32 -2.988 -0.855 2.377 1.00 0.00 C ATOM 414 O TYR A 32 -4.082 -0.746 1.818 1.00 0.00 O ATOM 415 CB TYR A 32 -2.763 0.129 4.680 1.00 0.00 C ATOM 416 CG TYR A 32 -4.244 0.249 4.985 1.00 0.00 C ATOM 417 CD1 TYR A 32 -5.127 -0.780 4.677 1.00 0.00 C ATOM 418 CD2 TYR A 32 -4.757 1.397 5.573 1.00 0.00 C ATOM 419 CE1 TYR A 32 -6.476 -0.667 4.943 1.00 0.00 C ATOM 420 CE2 TYR A 32 -6.106 1.515 5.846 1.00 0.00 C ATOM 421 CZ TYR A 32 -6.961 0.481 5.528 1.00 0.00 C ATOM 422 OH TYR A 32 -8.305 0.599 5.790 1.00 0.00 O ATOM 0 H TYR A 32 -3.823 1.827 2.971 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.326 0.259 3.072 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.412 -0.846 5.019 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.223 0.880 5.257 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.750 -1.684 4.221 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.091 2.210 5.821 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.148 -1.475 4.694 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.489 2.413 6.307 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.577 1.535 5.687 1.00 0.00 H new ATOM 432 N CYS A 33 -2.251 -1.962 2.325 1.00 0.00 N ATOM 433 CA CYS A 33 -2.698 -3.149 1.606 1.00 0.00 C ATOM 434 C CYS A 33 -3.657 -3.924 2.504 1.00 0.00 C ATOM 435 O CYS A 33 -3.273 -4.367 3.588 1.00 0.00 O ATOM 436 CB CYS A 33 -1.511 -4.049 1.228 1.00 0.00 C ATOM 437 SG CYS A 33 -0.021 -3.151 0.676 1.00 0.00 S ATOM 0 H CYS A 33 -1.340 -2.060 2.774 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.194 -2.841 0.685 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.250 -4.664 2.089 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.825 -4.728 0.435 1.00 0.00 H new ATOM 442 N ARG A 34 -4.893 -4.074 2.072 1.00 0.00 N ATOM 443 CA ARG A 34 -5.892 -4.782 2.856 1.00 0.00 C ATOM 444 C ARG A 34 -6.195 -6.137 2.233 1.00 0.00 C ATOM 445 O ARG A 34 -6.403 -6.230 1.029 1.00 0.00 O ATOM 446 CB ARG A 34 -7.159 -3.932 2.937 1.00 0.00 C ATOM 447 CG ARG A 34 -8.293 -4.563 3.722 1.00 0.00 C ATOM 448 CD ARG A 34 -9.497 -3.640 3.760 1.00 0.00 C ATOM 449 NE ARG A 34 -10.630 -4.228 4.467 1.00 0.00 N ATOM 450 CZ ARG A 34 -11.792 -3.605 4.648 1.00 0.00 C ATOM 451 NH1 ARG A 34 -11.988 -2.400 4.128 1.00 0.00 N ATOM 452 NH2 ARG A 34 -12.768 -4.197 5.323 1.00 0.00 N ATOM 0 H ARG A 34 -5.233 -3.715 1.180 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.509 -4.954 3.862 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.909 -2.973 3.392 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.507 -3.724 1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.572 -5.514 3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.962 -4.780 4.738 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.218 -2.704 4.243 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.796 -3.396 2.741 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.525 -5.170 4.844 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.248 -1.951 3.589 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.879 -1.923 4.267 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.629 -5.132 5.705 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.657 -3.717 5.460 1.00 0.00 H new ATOM 466 N ARG A 35 -6.219 -7.188 3.044 1.00 0.00 N ATOM 467 CA ARG A 35 -6.503 -8.519 2.525 1.00 0.00 C ATOM 468 C ARG A 35 -7.943 -8.580 2.027 1.00 0.00 C ATOM 469 O ARG A 35 -8.890 -8.536 2.815 1.00 0.00 O ATOM 470 CB ARG A 35 -6.264 -9.593 3.590 1.00 0.00 C ATOM 471 CG ARG A 35 -6.302 -11.007 3.030 1.00 0.00 C ATOM 472 CD ARG A 35 -6.107 -12.056 4.115 1.00 0.00 C ATOM 473 NE ARG A 35 -6.044 -13.415 3.567 1.00 0.00 N ATOM 474 CZ ARG A 35 -7.062 -14.037 2.960 1.00 0.00 C ATOM 475 NH1 ARG A 35 -8.252 -13.455 2.871 1.00 0.00 N ATOM 476 NH2 ARG A 35 -6.894 -15.256 2.463 1.00 0.00 N ATOM 0 H ARG A 35 -6.048 -7.146 4.049 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.824 -8.716 1.695 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -5.296 -9.421 4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.019 -9.497 4.370 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.257 -11.174 2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.525 -11.118 2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.188 -11.844 4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.926 -11.992 4.831 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.163 -13.921 3.655 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.396 -12.526 3.267 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.022 -13.937 2.407 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.989 -15.719 2.544 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.670 -15.730 2.001 1.00 0.00 H new ATOM 490 N LYS A 36 -8.093 -8.659 0.714 1.00 0.00 N ATOM 491 CA LYS A 36 -9.402 -8.704 0.082 1.00 0.00 C ATOM 492 C LYS A 36 -10.130 -9.993 0.435 1.00 0.00 C ATOM 493 O LYS A 36 -11.312 -9.924 0.829 1.00 0.00 O ATOM 494 CB LYS A 36 -9.240 -8.575 -1.434 1.00 0.00 C ATOM 495 CG LYS A 36 -10.552 -8.565 -2.203 1.00 0.00 C ATOM 496 CD LYS A 36 -10.324 -8.309 -3.686 1.00 0.00 C ATOM 497 CE LYS A 36 -9.445 -9.380 -4.319 1.00 0.00 C ATOM 498 NZ LYS A 36 -10.080 -10.723 -4.271 1.00 0.00 N ATOM 499 OXT LYS A 36 -9.520 -11.073 0.313 1.00 0.00 O ATOM 0 H LYS A 36 -7.313 -8.694 0.058 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.002 -7.872 0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.697 -7.656 -1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.627 -9.401 -1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.060 -9.520 -2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.208 -7.796 -1.796 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.284 -8.277 -4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.858 -7.332 -3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.239 -9.114 -5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.486 -9.414 -3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.524 -11.391 -4.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.115 -11.056 -3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.046 -10.664 -4.651 1.00 0.00 H new TER 513 LYS A 36