USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 279 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 ASN :FLIP amide:sc= -0.293 F(o=-1.3!,f=-0.29) USER MOD Single : A 6 LYS NZ :NH3+ 155:sc= -1.26 (180deg=-2.69!) USER MOD Single : A 8 LYS NZ :NH3+ 171:sc=-0.00144 (180deg=-0.0845) USER MOD Single : A 9 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.42) USER MOD Single : A 10 SER OG : rot 180:sc= 0.00473 USER MOD Single : A 12 GLN : amide:sc= 0.302 K(o=0.3,f=-2.5!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.2) USER MOD Single : A 19 LYS NZ :NH3+ 168:sc= -0.0431 (180deg=-0.226) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0337 X(o=-0.034,f=-0.46) USER MOD Single : A 31 LYS NZ :NH3+ 172:sc=-0.00149 (180deg=-0.0679) USER MOD Single : A 35 THR OG1 : rot -164:sc= -0.239 USER MOD Single : A 37 LYS NZ :NH3+ 170:sc= -0.0174 (180deg=-0.147) USER MOD ----------------------------------------------------------------- ATOM 19 N GLY A 2 -2.541 -4.907 -4.926 1.00 0.00 N ATOM 20 CA GLY A 2 -1.209 -4.458 -4.593 1.00 0.00 C ATOM 21 C GLY A 2 -0.721 -3.408 -5.564 1.00 0.00 C ATOM 22 O GLY A 2 -1.079 -3.433 -6.740 1.00 0.00 O ATOM 0 HA2 GLY A 2 -1.203 -4.051 -3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.525 -5.307 -4.599 1.00 0.00 H new ATOM 26 N ILE A 3 0.089 -2.484 -5.081 1.00 0.00 N ATOM 27 CA ILE A 3 0.575 -1.399 -5.908 1.00 0.00 C ATOM 28 C ILE A 3 2.070 -1.537 -6.149 1.00 0.00 C ATOM 29 O ILE A 3 2.794 -2.135 -5.345 1.00 0.00 O ATOM 30 CB ILE A 3 0.270 -0.027 -5.273 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.745 0.008 -3.822 1.00 0.00 C ATOM 32 CG2 ILE A 3 -1.218 0.276 -5.356 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.475 1.319 -3.119 1.00 0.00 C ATOM 0 H ILE A 3 0.424 -2.465 -4.118 1.00 0.00 H new ATOM 0 HA ILE A 3 0.054 -1.457 -6.863 1.00 0.00 H new ATOM 0 HB ILE A 3 0.810 0.740 -5.829 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.256 -0.796 -3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.816 -0.193 -3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.417 1.248 -4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.528 0.292 -6.401 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.776 -0.494 -4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.841 1.264 -2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.986 2.126 -3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.597 1.514 -3.111 1.00 0.00 H new ATOM 45 N ASN A 4 2.519 -0.981 -7.261 1.00 0.00 N ATOM 46 CA ASN A 4 3.919 -1.070 -7.669 1.00 0.00 C ATOM 47 C ASN A 4 4.784 -0.069 -6.906 1.00 0.00 C ATOM 48 O ASN A 4 5.349 0.863 -7.480 1.00 0.00 O ATOM 49 CB ASN A 4 4.063 -0.881 -9.192 1.00 0.00 C ATOM 50 CG ASN A 4 3.251 0.277 -9.760 1.00 0.00 C ATOM 51 OD1 ASN A 4 3.149 1.376 -9.028 1.00 0.00 O flip ATOM 52 ND2 ASN A 4 2.736 0.189 -10.874 1.00 0.00 N flip ATOM 0 H ASN A 4 1.930 -0.456 -7.907 1.00 0.00 H new ATOM 0 HA ASN A 4 4.275 -2.070 -7.420 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.115 -0.722 -9.429 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.759 -1.801 -9.691 1.00 0.00 H new ATOM 0 HD21 ASN A 4 2.832 -0.671 -11.414 1.00 0.00 H new ATOM 0 HD22 ASN A 4 2.213 0.976 -11.258 1.00 0.00 H new ATOM 59 N VAL A 5 4.870 -0.269 -5.604 1.00 0.00 N ATOM 60 CA VAL A 5 5.647 0.597 -4.735 1.00 0.00 C ATOM 61 C VAL A 5 6.545 -0.249 -3.842 1.00 0.00 C ATOM 62 O VAL A 5 6.120 -1.293 -3.344 1.00 0.00 O ATOM 63 CB VAL A 5 4.730 1.470 -3.845 1.00 0.00 C ATOM 64 CG1 VAL A 5 5.539 2.438 -2.996 1.00 0.00 C ATOM 65 CG2 VAL A 5 3.711 2.224 -4.682 1.00 0.00 C ATOM 0 H VAL A 5 4.404 -1.036 -5.119 1.00 0.00 H new ATOM 0 HA VAL A 5 6.248 1.254 -5.364 1.00 0.00 H new ATOM 0 HB VAL A 5 4.194 0.798 -3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.864 3.036 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.216 1.878 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.118 3.095 -3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.081 2.829 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.229 2.872 -5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.091 1.513 -5.228 1.00 0.00 H new ATOM 75 N LYS A 6 7.784 0.187 -3.665 1.00 0.00 N ATOM 76 CA LYS A 6 8.715 -0.497 -2.780 1.00 0.00 C ATOM 77 C LYS A 6 8.398 -0.159 -1.331 1.00 0.00 C ATOM 78 O LYS A 6 8.577 0.983 -0.899 1.00 0.00 O ATOM 79 CB LYS A 6 10.156 -0.102 -3.108 1.00 0.00 C ATOM 80 CG LYS A 6 10.604 -0.515 -4.502 1.00 0.00 C ATOM 81 CD LYS A 6 12.025 -0.053 -4.810 1.00 0.00 C ATOM 82 CE LYS A 6 12.081 1.396 -5.291 1.00 0.00 C ATOM 83 NZ LYS A 6 11.697 2.373 -4.239 1.00 0.00 N ATOM 0 H LYS A 6 8.168 1.013 -4.124 1.00 0.00 H new ATOM 0 HA LYS A 6 8.609 -1.572 -2.927 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.258 0.979 -3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.823 -0.554 -2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.548 -1.600 -4.593 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.920 -0.097 -5.241 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.639 -0.159 -3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.457 -0.702 -5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.091 1.620 -5.636 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.418 1.514 -6.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.136 3.294 -4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.662 2.478 -4.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.024 2.032 -3.312 1.00 0.00 H new ATOM 97 N CYS A 7 7.920 -1.145 -0.584 1.00 0.00 N ATOM 98 CA CYS A 7 7.520 -0.914 0.796 1.00 0.00 C ATOM 99 C CYS A 7 8.728 -0.738 1.704 1.00 0.00 C ATOM 100 O CYS A 7 9.432 -1.702 2.002 1.00 0.00 O ATOM 101 CB CYS A 7 6.668 -2.057 1.341 1.00 0.00 C ATOM 102 SG CYS A 7 5.911 -1.650 2.949 1.00 0.00 S ATOM 0 H CYS A 7 7.801 -2.105 -0.908 1.00 0.00 H new ATOM 0 HA CYS A 7 6.929 0.002 0.790 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.884 -2.297 0.623 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.286 -2.949 1.448 1.00 0.00 H new ATOM 107 N LYS A 8 8.983 0.492 2.129 1.00 0.00 N ATOM 108 CA LYS A 8 9.963 0.739 3.166 1.00 0.00 C ATOM 109 C LYS A 8 9.271 0.658 4.517 1.00 0.00 C ATOM 110 O LYS A 8 9.844 0.200 5.504 1.00 0.00 O ATOM 111 CB LYS A 8 10.605 2.116 2.983 1.00 0.00 C ATOM 112 CG LYS A 8 11.423 2.245 1.707 1.00 0.00 C ATOM 113 CD LYS A 8 11.929 3.668 1.497 1.00 0.00 C ATOM 114 CE LYS A 8 12.849 4.122 2.622 1.00 0.00 C ATOM 115 NZ LYS A 8 14.082 3.294 2.711 1.00 0.00 N ATOM 0 H LYS A 8 8.524 1.329 1.770 1.00 0.00 H new ATOM 0 HA LYS A 8 10.753 -0.010 3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.822 2.875 2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 8 11.248 2.324 3.839 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.271 1.561 1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.814 1.947 0.854 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.462 3.726 0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.080 4.348 1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.125 5.165 2.465 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.312 4.074 3.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.744 3.729 3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.835 2.338 3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.529 3.236 1.774 1.00 0.00 H new ATOM 129 N HIS A 9 8.017 1.098 4.536 1.00 0.00 N ATOM 130 CA HIS A 9 7.200 1.118 5.744 1.00 0.00 C ATOM 131 C HIS A 9 5.744 0.939 5.347 1.00 0.00 C ATOM 132 O HIS A 9 5.338 1.404 4.282 1.00 0.00 O ATOM 133 CB HIS A 9 7.358 2.451 6.496 1.00 0.00 C ATOM 134 CG HIS A 9 8.779 2.825 6.771 1.00 0.00 C ATOM 135 ND1 HIS A 9 9.506 3.648 5.942 1.00 0.00 N ATOM 136 CD2 HIS A 9 9.624 2.446 7.756 1.00 0.00 C ATOM 137 CE1 HIS A 9 10.736 3.748 6.394 1.00 0.00 C ATOM 138 NE2 HIS A 9 10.838 3.031 7.498 1.00 0.00 N ATOM 0 H HIS A 9 7.536 1.453 3.709 1.00 0.00 H new ATOM 0 HA HIS A 9 7.524 0.312 6.403 1.00 0.00 H new ATOM 0 HB2 HIS A 9 6.890 3.244 5.913 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.819 2.390 7.441 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.387 1.803 8.591 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.530 4.321 5.939 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.680 2.929 8.065 1.00 0.00 H new ATOM 147 N SER A 10 4.962 0.280 6.189 1.00 0.00 N ATOM 148 CA SER A 10 3.543 0.093 5.916 1.00 0.00 C ATOM 149 C SER A 10 2.830 1.443 5.856 1.00 0.00 C ATOM 150 O SER A 10 1.977 1.672 4.996 1.00 0.00 O ATOM 151 CB SER A 10 2.919 -0.806 6.985 1.00 0.00 C ATOM 152 OG SER A 10 3.287 -0.381 8.287 1.00 0.00 O ATOM 0 H SER A 10 5.284 -0.133 7.064 1.00 0.00 H new ATOM 0 HA SER A 10 3.429 -0.393 4.947 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.833 -0.792 6.888 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.240 -1.836 6.831 1.00 0.00 H new ATOM 0 HG SER A 10 2.874 -0.970 8.952 1.00 0.00 H new ATOM 158 N GLY A 11 3.221 2.348 6.750 1.00 0.00 N ATOM 159 CA GLY A 11 2.651 3.682 6.771 1.00 0.00 C ATOM 160 C GLY A 11 2.970 4.467 5.512 1.00 0.00 C ATOM 161 O GLY A 11 2.249 5.399 5.153 1.00 0.00 O ATOM 0 H GLY A 11 3.928 2.178 7.465 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.570 3.610 6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.030 4.222 7.639 1.00 0.00 H new ATOM 165 N GLN A 12 4.054 4.090 4.840 1.00 0.00 N ATOM 166 CA GLN A 12 4.430 4.721 3.581 1.00 0.00 C ATOM 167 C GLN A 12 3.449 4.322 2.491 1.00 0.00 C ATOM 168 O GLN A 12 3.038 5.145 1.675 1.00 0.00 O ATOM 169 CB GLN A 12 5.844 4.303 3.161 1.00 0.00 C ATOM 170 CG GLN A 12 6.278 4.889 1.827 1.00 0.00 C ATOM 171 CD GLN A 12 7.542 4.252 1.283 1.00 0.00 C ATOM 172 OE1 GLN A 12 8.650 4.701 1.561 1.00 0.00 O ATOM 173 NE2 GLN A 12 7.379 3.193 0.503 1.00 0.00 N ATOM 0 H GLN A 12 4.686 3.351 5.147 1.00 0.00 H new ATOM 0 HA GLN A 12 4.409 5.801 3.723 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.550 4.612 3.932 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.891 3.216 3.104 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.474 4.763 1.102 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.439 5.961 1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.440 2.851 0.296 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.192 2.720 0.109 1.00 0.00 H new ATOM 182 N CYS A 13 3.059 3.056 2.509 1.00 0.00 N ATOM 183 CA CYS A 13 2.216 2.489 1.466 1.00 0.00 C ATOM 184 C CYS A 13 0.801 3.046 1.515 1.00 0.00 C ATOM 185 O CYS A 13 0.061 2.945 0.543 1.00 0.00 O ATOM 186 CB CYS A 13 2.199 0.970 1.588 1.00 0.00 C ATOM 187 SG CYS A 13 3.851 0.225 1.447 1.00 0.00 S ATOM 0 H CYS A 13 3.316 2.396 3.243 1.00 0.00 H new ATOM 0 HA CYS A 13 2.638 2.770 0.501 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.763 0.693 2.548 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.553 0.556 0.813 1.00 0.00 H new ATOM 192 N LEU A 14 0.438 3.654 2.636 1.00 0.00 N ATOM 193 CA LEU A 14 -0.870 4.283 2.778 1.00 0.00 C ATOM 194 C LEU A 14 -0.998 5.484 1.847 1.00 0.00 C ATOM 195 O LEU A 14 -2.072 5.754 1.300 1.00 0.00 O ATOM 196 CB LEU A 14 -1.091 4.733 4.225 1.00 0.00 C ATOM 197 CG LEU A 14 -1.935 3.804 5.102 1.00 0.00 C ATOM 198 CD1 LEU A 14 -3.345 3.718 4.556 1.00 0.00 C ATOM 199 CD2 LEU A 14 -1.312 2.421 5.194 1.00 0.00 C ATOM 0 H LEU A 14 1.032 3.726 3.462 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.627 3.547 2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.117 4.858 4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.566 5.714 4.210 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.970 4.220 6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.939 3.055 5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.794 4.711 4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.318 3.325 3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.933 1.783 5.823 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.240 1.987 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.315 2.499 5.629 1.00 0.00 H new ATOM 211 N LYS A 15 0.117 6.175 1.644 1.00 0.00 N ATOM 212 CA LYS A 15 0.132 7.417 0.880 1.00 0.00 C ATOM 213 C LYS A 15 -0.327 7.200 -0.571 1.00 0.00 C ATOM 214 O LYS A 15 -1.239 7.884 -1.031 1.00 0.00 O ATOM 215 CB LYS A 15 1.523 8.063 0.932 1.00 0.00 C ATOM 216 CG LYS A 15 2.034 8.295 2.346 1.00 0.00 C ATOM 217 CD LYS A 15 3.431 8.892 2.343 1.00 0.00 C ATOM 218 CE LYS A 15 3.968 9.059 3.754 1.00 0.00 C ATOM 219 NZ LYS A 15 5.304 9.707 3.769 1.00 0.00 N ATOM 0 H LYS A 15 1.030 5.893 2.001 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.582 8.100 1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.230 7.427 0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.492 9.017 0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.353 8.962 2.875 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.042 7.351 2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.101 8.250 1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.413 9.860 1.842 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.269 9.656 4.339 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.033 8.083 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.633 9.801 4.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.978 9.125 3.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.238 10.649 3.334 1.00 0.00 H new ATOM 233 N PRO A 16 0.273 6.251 -1.322 1.00 0.00 N ATOM 234 CA PRO A 16 -0.170 5.958 -2.686 1.00 0.00 C ATOM 235 C PRO A 16 -1.420 5.078 -2.716 1.00 0.00 C ATOM 236 O PRO A 16 -2.122 5.007 -3.728 1.00 0.00 O ATOM 237 CB PRO A 16 1.023 5.214 -3.284 1.00 0.00 C ATOM 238 CG PRO A 16 1.661 4.529 -2.125 1.00 0.00 C ATOM 239 CD PRO A 16 1.430 5.414 -0.932 1.00 0.00 C ATOM 0 HA PRO A 16 -0.448 6.860 -3.231 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.704 4.497 -4.041 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.716 5.902 -3.768 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.224 3.543 -1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.727 4.382 -2.299 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.215 4.829 -0.037 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.307 6.023 -0.712 1.00 0.00 H new ATOM 247 N CYS A 17 -1.708 4.430 -1.593 1.00 0.00 N ATOM 248 CA CYS A 17 -2.807 3.476 -1.515 1.00 0.00 C ATOM 249 C CYS A 17 -4.156 4.182 -1.559 1.00 0.00 C ATOM 250 O CYS A 17 -5.143 3.628 -2.051 1.00 0.00 O ATOM 251 CB CYS A 17 -2.697 2.641 -0.241 1.00 0.00 C ATOM 252 SG CYS A 17 -3.694 1.124 -0.260 1.00 0.00 S ATOM 0 H CYS A 17 -1.193 4.549 -0.721 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.738 2.818 -2.381 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.652 2.374 -0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.001 3.252 0.609 1.00 0.00 H new ATOM 257 N LYS A 18 -4.202 5.411 -1.055 1.00 0.00 N ATOM 258 CA LYS A 18 -5.428 6.193 -1.094 1.00 0.00 C ATOM 259 C LYS A 18 -5.811 6.518 -2.538 1.00 0.00 C ATOM 260 O LYS A 18 -6.979 6.748 -2.846 1.00 0.00 O ATOM 261 CB LYS A 18 -5.277 7.483 -0.286 1.00 0.00 C ATOM 262 CG LYS A 18 -4.249 8.448 -0.849 1.00 0.00 C ATOM 263 CD LYS A 18 -4.361 9.816 -0.193 1.00 0.00 C ATOM 264 CE LYS A 18 -3.354 10.808 -0.758 1.00 0.00 C ATOM 265 NZ LYS A 18 -1.953 10.451 -0.414 1.00 0.00 N ATOM 0 H LYS A 18 -3.410 5.882 -0.618 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.223 5.597 -0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.243 7.985 -0.238 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.999 7.228 0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.247 8.048 -0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.389 8.545 -1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.370 10.204 -0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.206 9.716 0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.459 10.851 -1.842 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.576 11.805 -0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.319 11.229 -0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.878 10.286 0.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.679 9.587 -0.925 1.00 0.00 H new ATOM 279 N LYS A 19 -4.821 6.513 -3.429 1.00 0.00 N ATOM 280 CA LYS A 19 -5.067 6.770 -4.842 1.00 0.00 C ATOM 281 C LYS A 19 -5.355 5.463 -5.558 1.00 0.00 C ATOM 282 O LYS A 19 -5.829 5.442 -6.694 1.00 0.00 O ATOM 283 CB LYS A 19 -3.873 7.469 -5.490 1.00 0.00 C ATOM 284 CG LYS A 19 -3.619 8.868 -4.951 1.00 0.00 C ATOM 285 CD LYS A 19 -2.523 9.579 -5.729 1.00 0.00 C ATOM 286 CE LYS A 19 -2.896 9.763 -7.195 1.00 0.00 C ATOM 287 NZ LYS A 19 -4.148 10.550 -7.362 1.00 0.00 N ATOM 0 H LYS A 19 -3.844 6.334 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.931 7.429 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.981 6.862 -5.337 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.037 7.528 -6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.539 9.451 -5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.339 8.808 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.331 10.553 -5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.598 9.007 -5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.081 10.266 -7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.018 8.786 -7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.255 10.824 -8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.963 9.972 -7.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.102 11.405 -6.771 1.00 0.00 H new ATOM 301 N ALA A 20 -5.068 4.372 -4.872 1.00 0.00 N ATOM 302 CA ALA A 20 -5.320 3.041 -5.399 1.00 0.00 C ATOM 303 C ALA A 20 -6.755 2.628 -5.109 1.00 0.00 C ATOM 304 O ALA A 20 -7.250 1.622 -5.624 1.00 0.00 O ATOM 305 CB ALA A 20 -4.347 2.045 -4.792 1.00 0.00 C ATOM 0 H ALA A 20 -4.656 4.381 -3.939 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.173 3.054 -6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.545 1.051 -5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.326 2.338 -5.037 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.470 2.029 -3.709 1.00 0.00 H new ATOM 311 N GLY A 21 -7.413 3.421 -4.272 1.00 0.00 N ATOM 312 CA GLY A 21 -8.788 3.158 -3.916 1.00 0.00 C ATOM 313 C GLY A 21 -8.911 2.007 -2.946 1.00 0.00 C ATOM 314 O GLY A 21 -9.955 1.365 -2.863 1.00 0.00 O ATOM 0 H GLY A 21 -7.011 4.249 -3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.226 4.053 -3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.360 2.935 -4.817 1.00 0.00 H new ATOM 318 N MET A 22 -7.843 1.744 -2.209 1.00 0.00 N ATOM 319 CA MET A 22 -7.835 0.624 -1.286 1.00 0.00 C ATOM 320 C MET A 22 -7.979 1.094 0.151 1.00 0.00 C ATOM 321 O MET A 22 -8.054 2.295 0.415 1.00 0.00 O ATOM 322 CB MET A 22 -6.569 -0.215 -1.453 1.00 0.00 C ATOM 323 CG MET A 22 -6.484 -0.912 -2.800 1.00 0.00 C ATOM 324 SD MET A 22 -7.858 -2.048 -3.074 1.00 0.00 S ATOM 325 CE MET A 22 -7.497 -2.615 -4.733 1.00 0.00 C ATOM 0 H MET A 22 -6.979 2.286 -2.232 1.00 0.00 H new ATOM 0 HA MET A 22 -8.694 -0.004 -1.523 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.697 0.427 -1.328 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.530 -0.963 -0.661 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.471 -0.164 -3.593 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.544 -1.461 -2.864 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.260 -3.327 -5.048 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.491 -1.765 -5.415 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.520 -3.099 -4.748 1.00 0.00 H new ATOM 335 N ARG A 23 -8.027 0.146 1.068 1.00 0.00 N ATOM 336 CA ARG A 23 -8.287 0.447 2.467 1.00 0.00 C ATOM 337 C ARG A 23 -6.998 0.851 3.193 1.00 0.00 C ATOM 338 O ARG A 23 -6.802 2.027 3.512 1.00 0.00 O ATOM 339 CB ARG A 23 -8.947 -0.766 3.126 1.00 0.00 C ATOM 340 CG ARG A 23 -9.555 -0.492 4.486 1.00 0.00 C ATOM 341 CD ARG A 23 -10.756 -1.393 4.739 1.00 0.00 C ATOM 342 NE ARG A 23 -10.541 -2.759 4.258 1.00 0.00 N ATOM 343 CZ ARG A 23 -10.718 -3.852 4.997 1.00 0.00 C ATOM 344 NH1 ARG A 23 -11.042 -3.756 6.281 1.00 0.00 N ATOM 345 NH2 ARG A 23 -10.559 -5.045 4.447 1.00 0.00 N ATOM 0 H ARG A 23 -7.889 -0.845 0.870 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.966 1.297 2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.726 -1.144 2.464 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.204 -1.557 3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.806 -0.652 5.262 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.860 0.553 4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.970 -1.417 5.807 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.633 -0.972 4.247 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.235 -2.881 3.293 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.158 -2.838 6.711 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.175 -4.600 6.838 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.302 -5.123 3.463 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.693 -5.887 5.007 1.00 0.00 H new ATOM 359 N PHE A 24 -6.122 -0.115 3.448 1.00 0.00 N ATOM 360 CA PHE A 24 -4.831 0.172 4.069 1.00 0.00 C ATOM 361 C PHE A 24 -3.713 -0.391 3.210 1.00 0.00 C ATOM 362 O PHE A 24 -3.961 -0.998 2.172 1.00 0.00 O ATOM 363 CB PHE A 24 -4.704 -0.430 5.477 1.00 0.00 C ATOM 364 CG PHE A 24 -5.965 -0.988 6.056 1.00 0.00 C ATOM 365 CD1 PHE A 24 -6.373 -2.258 5.713 1.00 0.00 C ATOM 366 CD2 PHE A 24 -6.731 -0.259 6.950 1.00 0.00 C ATOM 367 CE1 PHE A 24 -7.517 -2.802 6.241 1.00 0.00 C ATOM 368 CE2 PHE A 24 -7.884 -0.797 7.486 1.00 0.00 C ATOM 369 CZ PHE A 24 -8.278 -2.073 7.133 1.00 0.00 C ATOM 0 H PHE A 24 -6.280 -1.100 3.236 1.00 0.00 H new ATOM 0 HA PHE A 24 -4.758 1.256 4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.957 -1.223 5.448 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.326 0.340 6.149 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.783 -2.835 5.017 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.424 0.738 7.230 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.822 -3.799 5.959 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.477 -0.221 8.181 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.177 -2.499 7.553 1.00 0.00 H new ATOM 379 N GLY A 25 -2.490 -0.211 3.675 1.00 0.00 N ATOM 380 CA GLY A 25 -1.334 -0.719 2.976 1.00 0.00 C ATOM 381 C GLY A 25 -0.430 -1.507 3.899 1.00 0.00 C ATOM 382 O GLY A 25 0.187 -0.944 4.802 1.00 0.00 O ATOM 0 H GLY A 25 -2.276 0.287 4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.656 -1.354 2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.777 0.111 2.541 1.00 0.00 H new ATOM 386 N LYS A 26 -0.374 -2.809 3.683 1.00 0.00 N ATOM 387 CA LYS A 26 0.461 -3.688 4.484 1.00 0.00 C ATOM 388 C LYS A 26 1.832 -3.793 3.838 1.00 0.00 C ATOM 389 O LYS A 26 1.970 -3.614 2.624 1.00 0.00 O ATOM 390 CB LYS A 26 -0.176 -5.076 4.583 1.00 0.00 C ATOM 391 CG LYS A 26 0.475 -5.995 5.603 1.00 0.00 C ATOM 392 CD LYS A 26 -0.173 -7.369 5.594 1.00 0.00 C ATOM 393 CE LYS A 26 0.481 -8.305 6.596 1.00 0.00 C ATOM 394 NZ LYS A 26 -0.160 -9.646 6.600 1.00 0.00 N ATOM 0 H LYS A 26 -0.902 -3.285 2.952 1.00 0.00 H new ATOM 0 HA LYS A 26 0.559 -3.279 5.490 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.230 -4.961 4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.133 -5.552 3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.539 -6.090 5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.391 -5.557 6.597 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.234 -7.273 5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.102 -7.798 4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.540 -8.409 6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.419 -7.870 7.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.314 -10.255 7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.165 -9.550 6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.079 -10.072 5.655 1.00 0.00 H new ATOM 408 N CYS A 27 2.840 -4.095 4.630 1.00 0.00 N ATOM 409 CA CYS A 27 4.191 -4.146 4.109 1.00 0.00 C ATOM 410 C CYS A 27 4.579 -5.565 3.740 1.00 0.00 C ATOM 411 O CYS A 27 4.853 -6.399 4.605 1.00 0.00 O ATOM 412 CB CYS A 27 5.201 -3.585 5.101 1.00 0.00 C ATOM 413 SG CYS A 27 6.699 -2.958 4.282 1.00 0.00 S ATOM 0 H CYS A 27 2.753 -4.306 5.624 1.00 0.00 H new ATOM 0 HA CYS A 27 4.207 -3.525 3.213 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.738 -2.780 5.672 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.477 -4.362 5.813 1.00 0.00 H new ATOM 418 N ILE A 28 4.601 -5.828 2.449 1.00 0.00 N ATOM 419 CA ILE A 28 5.042 -7.090 1.930 1.00 0.00 C ATOM 420 C ILE A 28 6.452 -6.894 1.404 1.00 0.00 C ATOM 421 O ILE A 28 6.818 -5.773 1.072 1.00 0.00 O ATOM 422 CB ILE A 28 4.071 -7.584 0.824 1.00 0.00 C ATOM 423 CG1 ILE A 28 2.964 -8.464 1.420 1.00 0.00 C ATOM 424 CG2 ILE A 28 4.813 -8.341 -0.258 1.00 0.00 C ATOM 425 CD1 ILE A 28 2.199 -7.828 2.560 1.00 0.00 C ATOM 0 H ILE A 28 4.310 -5.163 1.733 1.00 0.00 H new ATOM 0 HA ILE A 28 5.046 -7.857 2.704 1.00 0.00 H new ATOM 0 HB ILE A 28 3.612 -6.704 0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.261 -8.726 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.408 -9.395 1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.107 -8.674 -1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.556 -7.688 -0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.311 -9.207 0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.438 -8.521 2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.886 -7.592 3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.721 -6.912 2.211 1.00 0.00 H new ATOM 437 N ASN A 29 7.237 -7.969 1.379 1.00 0.00 N ATOM 438 CA ASN A 29 8.643 -7.930 0.977 1.00 0.00 C ATOM 439 C ASN A 29 8.861 -7.131 -0.302 1.00 0.00 C ATOM 440 O ASN A 29 8.788 -7.665 -1.411 1.00 0.00 O ATOM 441 CB ASN A 29 9.167 -9.349 0.779 1.00 0.00 C ATOM 442 CG ASN A 29 9.084 -10.181 2.038 1.00 0.00 C ATOM 443 OD1 ASN A 29 9.245 -9.675 3.150 1.00 0.00 O ATOM 444 ND2 ASN A 29 8.814 -11.463 1.871 1.00 0.00 N ATOM 0 H ASN A 29 6.913 -8.900 1.639 1.00 0.00 H new ATOM 0 HA ASN A 29 9.190 -7.432 1.777 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.596 -9.836 -0.012 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.203 -9.306 0.444 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.731 -12.077 2.682 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.688 -11.840 0.931 1.00 0.00 H new ATOM 451 N GLY A 30 9.115 -5.843 -0.130 1.00 0.00 N ATOM 452 CA GLY A 30 9.416 -4.979 -1.247 1.00 0.00 C ATOM 453 C GLY A 30 8.181 -4.404 -1.916 1.00 0.00 C ATOM 454 O GLY A 30 8.292 -3.503 -2.745 1.00 0.00 O ATOM 0 H GLY A 30 9.117 -5.377 0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.048 -4.160 -0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.992 -5.538 -1.984 1.00 0.00 H new ATOM 458 N LYS A 31 6.998 -4.891 -1.554 1.00 0.00 N ATOM 459 CA LYS A 31 5.780 -4.461 -2.228 1.00 0.00 C ATOM 460 C LYS A 31 4.794 -3.834 -1.260 1.00 0.00 C ATOM 461 O LYS A 31 4.558 -4.347 -0.166 1.00 0.00 O ATOM 462 CB LYS A 31 5.101 -5.621 -2.960 1.00 0.00 C ATOM 463 CG LYS A 31 5.867 -6.128 -4.172 1.00 0.00 C ATOM 464 CD LYS A 31 5.103 -7.229 -4.899 1.00 0.00 C ATOM 465 CE LYS A 31 3.767 -6.739 -5.450 1.00 0.00 C ATOM 466 NZ LYS A 31 3.934 -5.692 -6.496 1.00 0.00 N ATOM 0 H LYS A 31 6.858 -5.573 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 31 6.082 -3.710 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.963 -6.446 -2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.108 -5.303 -3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.054 -5.301 -4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.839 -6.507 -3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.713 -7.612 -5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.929 -8.060 -4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.218 -7.583 -5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.165 -6.340 -4.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.013 -5.489 -6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.310 -4.825 -6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.596 -6.030 -7.223 1.00 0.00 H new ATOM 480 N CYS A 32 4.227 -2.722 -1.678 1.00 0.00 N ATOM 481 CA CYS A 32 3.146 -2.091 -0.950 1.00 0.00 C ATOM 482 C CYS A 32 1.841 -2.815 -1.247 1.00 0.00 C ATOM 483 O CYS A 32 1.144 -2.507 -2.214 1.00 0.00 O ATOM 484 CB CYS A 32 3.061 -0.614 -1.341 1.00 0.00 C ATOM 485 SG CYS A 32 4.306 0.429 -0.519 1.00 0.00 S ATOM 0 H CYS A 32 4.501 -2.231 -2.529 1.00 0.00 H new ATOM 0 HA CYS A 32 3.333 -2.151 0.122 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.180 -0.525 -2.421 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.067 -0.239 -1.098 1.00 0.00 H new ATOM 490 N ASP A 33 1.533 -3.808 -0.430 1.00 0.00 N ATOM 491 CA ASP A 33 0.338 -4.615 -0.643 1.00 0.00 C ATOM 492 C ASP A 33 -0.847 -4.028 0.090 1.00 0.00 C ATOM 493 O ASP A 33 -0.946 -4.092 1.315 1.00 0.00 O ATOM 494 CB ASP A 33 0.568 -6.056 -0.212 1.00 0.00 C ATOM 495 CG ASP A 33 -0.685 -6.907 -0.309 1.00 0.00 C ATOM 496 OD1 ASP A 33 -1.048 -7.312 -1.432 1.00 0.00 O ATOM 497 OD2 ASP A 33 -1.308 -7.187 0.739 1.00 0.00 O ATOM 0 H ASP A 33 2.088 -4.076 0.383 1.00 0.00 H new ATOM 0 HA ASP A 33 0.119 -4.609 -1.711 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.349 -6.496 -0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.932 -6.069 0.815 1.00 0.00 H new ATOM 502 N CYS A 34 -1.743 -3.454 -0.674 1.00 0.00 N ATOM 503 CA CYS A 34 -2.913 -2.799 -0.120 1.00 0.00 C ATOM 504 C CYS A 34 -4.003 -3.796 0.212 1.00 0.00 C ATOM 505 O CYS A 34 -4.135 -4.839 -0.430 1.00 0.00 O ATOM 506 CB CYS A 34 -3.466 -1.765 -1.088 1.00 0.00 C ATOM 507 SG CYS A 34 -2.498 -0.229 -1.192 1.00 0.00 S ATOM 0 H CYS A 34 -1.687 -3.425 -1.692 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.595 -2.305 0.798 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.523 -2.211 -2.081 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.485 -1.517 -0.791 1.00 0.00 H new ATOM 512 N THR A 35 -4.782 -3.460 1.216 1.00 0.00 N ATOM 513 CA THR A 35 -5.930 -4.252 1.584 1.00 0.00 C ATOM 514 C THR A 35 -7.152 -3.723 0.859 1.00 0.00 C ATOM 515 O THR A 35 -7.418 -2.523 0.896 1.00 0.00 O ATOM 516 CB THR A 35 -6.182 -4.178 3.091 1.00 0.00 C ATOM 517 OG1 THR A 35 -4.977 -4.487 3.803 1.00 0.00 O ATOM 518 CG2 THR A 35 -7.289 -5.136 3.498 1.00 0.00 C ATOM 0 H THR A 35 -4.637 -2.634 1.797 1.00 0.00 H new ATOM 0 HA THR A 35 -5.738 -5.289 1.308 1.00 0.00 H new ATOM 0 HB THR A 35 -6.496 -3.164 3.341 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.192 -4.687 4.738 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.452 -5.068 4.574 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.208 -4.874 2.974 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.002 -6.155 3.239 1.00 0.00 H new ATOM 526 N PRO A 36 -7.905 -4.588 0.177 1.00 0.00 N ATOM 527 CA PRO A 36 -9.113 -4.173 -0.513 1.00 0.00 C ATOM 528 C PRO A 36 -10.269 -3.929 0.452 1.00 0.00 C ATOM 529 O PRO A 36 -10.098 -3.956 1.674 1.00 0.00 O ATOM 530 CB PRO A 36 -9.429 -5.336 -1.460 1.00 0.00 C ATOM 531 CG PRO A 36 -8.339 -6.346 -1.276 1.00 0.00 C ATOM 532 CD PRO A 36 -7.649 -6.023 0.016 1.00 0.00 C ATOM 0 HA PRO A 36 -8.972 -3.227 -1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.402 -5.770 -1.230 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.469 -4.994 -2.494 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -8.750 -7.355 -1.251 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.635 -6.309 -2.108 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.055 -6.601 0.846 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -6.582 -6.240 -0.031 1.00 0.00 H new ATOM 540 N LYS A 37 -11.439 -3.688 -0.106 1.00 0.00 N ATOM 541 CA LYS A 37 -12.623 -3.387 0.679 1.00 0.00 C ATOM 542 C LYS A 37 -13.341 -4.679 1.052 1.00 0.00 C ATOM 543 O LYS A 37 -13.111 -5.189 2.165 1.00 0.00 O ATOM 544 CB LYS A 37 -13.564 -2.468 -0.110 1.00 0.00 C ATOM 545 CG LYS A 37 -12.892 -1.215 -0.656 1.00 0.00 C ATOM 546 CD LYS A 37 -12.392 -0.306 0.457 1.00 0.00 C ATOM 547 CE LYS A 37 -11.679 0.919 -0.097 1.00 0.00 C ATOM 548 NZ LYS A 37 -12.576 1.767 -0.927 1.00 0.00 N ATOM 549 OXT LYS A 37 -14.111 -5.197 0.216 1.00 0.00 O ATOM 0 H LYS A 37 -11.597 -3.695 -1.114 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.320 -2.874 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.992 -3.030 -0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.392 -2.172 0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.056 -1.501 -1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.598 -0.668 -1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.233 0.010 1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.713 -0.862 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.284 1.511 0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.827 0.600 -0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.102 2.668 -1.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.798 1.273 -1.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.456 1.954 -0.406 1.00 0.00 H new