USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 373 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 40 CYS SG : rot 152:sc= -0.074 USER MOD Set 1.2: A 43 CYS SG : rot -40:sc= -0.241 USER MOD Set 1.3: A 55 HIS : no HE2:sc= -0.231 K(o=-0.35,f=-4.6) USER MOD Set 1.4: A 58 CYS SG : rot -38:sc= 0.193 USER MOD Set 2.1: A 13 CYS SG : rot 15:sc= -0.709! USER MOD Set 2.2: A 16 CYS SG : rot -56:sc= 0.118 USER MOD Set 2.3: A 28 HIS : no HD1:sc= -1.79! C(o=-2.3!,f=-5.5!) USER MOD Set 2.4: A 32 CYS SG : rot -161:sc= 0.0893 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -20:sc= -1.63 USER MOD Single : A 14 ASN : amide:sc= -0.247 K(o=-0.25,f=-2) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 68:sc= 0.0132 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 0.304 K(o=0.3,f=-2!) USER MOD Single : A 35 CYS SG : rot 173:sc= -4.15! USER MOD Single : A 37 CYS SG : rot -143:sc= 0.529 USER MOD Single : A 39 SER OG : rot -90:sc= 0.0761 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0817) USER MOD Single : A 54 SER OG : rot -51:sc= 1.17 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 7.407 15.294 3.110 1.00 0.00 N ATOM 67 CA MET A 8 7.501 13.969 2.508 1.00 0.00 C ATOM 68 C MET A 8 6.124 13.323 2.397 1.00 0.00 C ATOM 69 O MET A 8 5.180 13.729 3.074 1.00 0.00 O ATOM 70 CB MET A 8 8.432 13.076 3.331 1.00 0.00 C ATOM 71 CG MET A 8 8.990 11.897 2.551 1.00 0.00 C ATOM 72 SD MET A 8 10.196 10.947 3.496 1.00 0.00 S ATOM 73 CE MET A 8 11.703 11.836 3.110 1.00 0.00 C ATOM 0 HA MET A 8 7.911 14.082 1.505 1.00 0.00 H new ATOM 0 HB2 MET A 8 9.260 13.677 3.707 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.890 12.702 4.200 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.171 11.243 2.253 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.456 12.260 1.635 1.00 0.00 H new ATOM 0 HE1 MET A 8 12.543 11.367 3.622 1.00 0.00 H new ATOM 0 HE2 MET A 8 11.875 11.811 2.034 1.00 0.00 H new ATOM 0 HE3 MET A 8 11.609 12.871 3.439 1.00 0.00 H new ATOM 83 N VAL A 9 6.016 12.314 1.538 1.00 0.00 N ATOM 84 CA VAL A 9 4.754 11.611 1.339 1.00 0.00 C ATOM 85 C VAL A 9 4.931 10.106 1.509 1.00 0.00 C ATOM 86 O VAL A 9 5.939 9.537 1.090 1.00 0.00 O ATOM 87 CB VAL A 9 4.169 11.894 -0.057 1.00 0.00 C ATOM 88 CG1 VAL A 9 2.913 11.066 -0.288 1.00 0.00 C ATOM 89 CG2 VAL A 9 3.876 13.377 -0.222 1.00 0.00 C ATOM 0 H VAL A 9 6.787 11.965 0.969 1.00 0.00 H new ATOM 0 HA VAL A 9 4.062 11.980 2.096 1.00 0.00 H new ATOM 0 HB VAL A 9 4.908 11.607 -0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.514 11.279 -1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.157 10.006 -0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.167 11.319 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.463 13.558 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.156 13.692 0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.798 13.946 -0.103 1.00 0.00 H new ATOM 99 N PHE A 10 3.943 9.467 2.127 1.00 0.00 N ATOM 100 CA PHE A 10 3.989 8.027 2.354 1.00 0.00 C ATOM 101 C PHE A 10 2.754 7.345 1.772 1.00 0.00 C ATOM 102 O PHE A 10 1.765 8.002 1.444 1.00 0.00 O ATOM 103 CB PHE A 10 4.093 7.728 3.851 1.00 0.00 C ATOM 104 CG PHE A 10 5.206 8.468 4.534 1.00 0.00 C ATOM 105 CD1 PHE A 10 5.017 9.762 4.992 1.00 0.00 C ATOM 106 CD2 PHE A 10 6.443 7.871 4.718 1.00 0.00 C ATOM 107 CE1 PHE A 10 6.040 10.446 5.622 1.00 0.00 C ATOM 108 CE2 PHE A 10 7.469 8.550 5.347 1.00 0.00 C ATOM 109 CZ PHE A 10 7.268 9.840 5.799 1.00 0.00 C ATOM 0 H PHE A 10 3.101 9.923 2.479 1.00 0.00 H new ATOM 0 HA PHE A 10 4.872 7.633 1.850 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.149 7.985 4.331 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.241 6.657 3.990 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.059 10.242 4.855 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.607 6.863 4.366 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.879 11.454 5.975 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.428 8.072 5.485 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.069 10.373 6.289 1.00 0.00 H new ATOM 119 N PHE A 11 2.819 6.024 1.645 1.00 0.00 N ATOM 120 CA PHE A 11 1.708 5.252 1.101 1.00 0.00 C ATOM 121 C PHE A 11 1.401 4.045 1.983 1.00 0.00 C ATOM 122 O PHE A 11 2.255 3.579 2.738 1.00 0.00 O ATOM 123 CB PHE A 11 2.028 4.790 -0.322 1.00 0.00 C ATOM 124 CG PHE A 11 2.356 5.917 -1.259 1.00 0.00 C ATOM 125 CD1 PHE A 11 1.349 6.591 -1.932 1.00 0.00 C ATOM 126 CD2 PHE A 11 3.670 6.304 -1.466 1.00 0.00 C ATOM 127 CE1 PHE A 11 1.648 7.628 -2.795 1.00 0.00 C ATOM 128 CE2 PHE A 11 3.975 7.341 -2.328 1.00 0.00 C ATOM 129 CZ PHE A 11 2.962 8.004 -2.993 1.00 0.00 C ATOM 0 H PHE A 11 3.630 5.465 1.912 1.00 0.00 H new ATOM 0 HA PHE A 11 0.829 5.896 1.077 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.870 4.098 -0.290 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.175 4.237 -0.716 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.319 6.303 -1.780 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.466 5.789 -0.948 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.854 8.144 -3.315 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.004 7.632 -2.481 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.197 8.815 -3.667 1.00 0.00 H new ATOM 139 N THR A 12 0.174 3.543 1.882 1.00 0.00 N ATOM 140 CA THR A 12 -0.248 2.392 2.671 1.00 0.00 C ATOM 141 C THR A 12 -0.335 1.138 1.809 1.00 0.00 C ATOM 142 O THR A 12 -1.286 0.960 1.047 1.00 0.00 O ATOM 143 CB THR A 12 -1.614 2.639 3.338 1.00 0.00 C ATOM 144 OG1 THR A 12 -1.509 3.705 4.289 1.00 0.00 O ATOM 145 CG2 THR A 12 -2.112 1.380 4.033 1.00 0.00 C ATOM 0 H THR A 12 -0.545 3.916 1.262 1.00 0.00 H new ATOM 0 HA THR A 12 0.505 2.246 3.446 1.00 0.00 H new ATOM 0 HB THR A 12 -2.328 2.914 2.562 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.570 3.825 4.543 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.078 1.578 4.497 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.218 0.579 3.302 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.397 1.080 4.799 1.00 0.00 H new ATOM 153 N CYS A 13 0.662 0.269 1.935 1.00 0.00 N ATOM 154 CA CYS A 13 0.699 -0.970 1.168 1.00 0.00 C ATOM 155 C CYS A 13 -0.584 -1.772 1.369 1.00 0.00 C ATOM 156 O CYS A 13 -0.851 -2.272 2.461 1.00 0.00 O ATOM 157 CB CYS A 13 1.909 -1.813 1.577 1.00 0.00 C ATOM 158 SG CYS A 13 2.042 -3.401 0.695 1.00 0.00 S ATOM 0 H CYS A 13 1.456 0.400 2.562 1.00 0.00 H new ATOM 0 HA CYS A 13 0.785 -0.712 0.113 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.817 -1.235 1.402 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.857 -2.008 2.648 1.00 0.00 H new ATOM 0 HG CYS A 13 1.259 -3.388 -0.343 1.00 0.00 H new ATOM 163 N ASN A 14 -1.374 -1.890 0.307 1.00 0.00 N ATOM 164 CA ASN A 14 -2.629 -2.631 0.366 1.00 0.00 C ATOM 165 C ASN A 14 -2.389 -4.124 0.163 1.00 0.00 C ATOM 166 O ASN A 14 -3.314 -4.875 -0.149 1.00 0.00 O ATOM 167 CB ASN A 14 -3.603 -2.111 -0.693 1.00 0.00 C ATOM 168 CG ASN A 14 -5.042 -2.471 -0.381 1.00 0.00 C ATOM 169 OD1 ASN A 14 -5.319 -3.201 0.571 1.00 0.00 O ATOM 170 ND2 ASN A 14 -5.968 -1.959 -1.185 1.00 0.00 N ATOM 0 H ASN A 14 -1.168 -1.482 -0.605 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.064 -2.482 1.354 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.510 -1.027 -0.767 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.331 -2.522 -1.665 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.954 -2.166 -1.025 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.693 -1.359 -1.962 1.00 0.00 H new ATOM 177 N ALA A 15 -1.142 -4.548 0.341 1.00 0.00 N ATOM 178 CA ALA A 15 -0.782 -5.951 0.180 1.00 0.00 C ATOM 179 C ALA A 15 -0.520 -6.609 1.531 1.00 0.00 C ATOM 180 O ALA A 15 -0.916 -7.751 1.764 1.00 0.00 O ATOM 181 CB ALA A 15 0.439 -6.082 -0.718 1.00 0.00 C ATOM 0 H ALA A 15 -0.364 -3.940 0.597 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.621 -6.465 -0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.697 -7.135 -0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.218 -5.657 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.278 -5.548 -0.272 1.00 0.00 H new ATOM 187 N CYS A 16 0.150 -5.881 2.418 1.00 0.00 N ATOM 188 CA CYS A 16 0.467 -6.394 3.746 1.00 0.00 C ATOM 189 C CYS A 16 -0.052 -5.454 4.830 1.00 0.00 C ATOM 190 O CYS A 16 -0.658 -5.891 5.807 1.00 0.00 O ATOM 191 CB CYS A 16 1.978 -6.580 3.897 1.00 0.00 C ATOM 192 SG CYS A 16 2.929 -5.028 3.819 1.00 0.00 S ATOM 0 H CYS A 16 0.484 -4.934 2.241 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.024 -7.360 3.862 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.180 -7.070 4.850 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.331 -7.250 3.113 1.00 0.00 H new ATOM 0 HG CYS A 16 2.665 -4.413 2.704 1.00 0.00 H new ATOM 197 N GLY A 17 0.190 -4.159 4.649 1.00 0.00 N ATOM 198 CA GLY A 17 -0.259 -3.178 5.619 1.00 0.00 C ATOM 199 C GLY A 17 0.893 -2.498 6.332 1.00 0.00 C ATOM 200 O GLY A 17 0.949 -2.486 7.561 1.00 0.00 O ATOM 0 H GLY A 17 0.689 -3.772 3.848 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.866 -2.425 5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.900 -3.665 6.354 1.00 0.00 H new ATOM 204 N GLU A 18 1.815 -1.933 5.559 1.00 0.00 N ATOM 205 CA GLU A 18 2.972 -1.251 6.126 1.00 0.00 C ATOM 206 C GLU A 18 3.197 0.097 5.446 1.00 0.00 C ATOM 207 O GLU A 18 3.065 0.219 4.228 1.00 0.00 O ATOM 208 CB GLU A 18 4.223 -2.120 5.986 1.00 0.00 C ATOM 209 CG GLU A 18 4.359 -3.171 7.075 1.00 0.00 C ATOM 210 CD GLU A 18 4.745 -2.577 8.415 1.00 0.00 C ATOM 211 OE1 GLU A 18 5.932 -2.229 8.591 1.00 0.00 O ATOM 212 OE2 GLU A 18 3.860 -2.459 9.288 1.00 0.00 O ATOM 0 H GLU A 18 1.783 -1.934 4.539 1.00 0.00 H new ATOM 0 HA GLU A 18 2.776 -1.076 7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.204 -2.615 5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.104 -1.479 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.415 -3.706 7.178 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.110 -3.903 6.777 1.00 0.00 H new ATOM 219 N SER A 19 3.536 1.106 6.242 1.00 0.00 N ATOM 220 CA SER A 19 3.775 2.445 5.718 1.00 0.00 C ATOM 221 C SER A 19 5.166 2.547 5.099 1.00 0.00 C ATOM 222 O SER A 19 6.165 2.196 5.727 1.00 0.00 O ATOM 223 CB SER A 19 3.622 3.485 6.830 1.00 0.00 C ATOM 224 OG SER A 19 3.249 4.746 6.301 1.00 0.00 O ATOM 0 H SER A 19 3.651 1.021 7.252 1.00 0.00 H new ATOM 0 HA SER A 19 3.036 2.641 4.941 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.870 3.150 7.545 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.561 3.579 7.376 1.00 0.00 H new ATOM 0 HG SER A 19 3.156 5.393 7.031 1.00 0.00 H new ATOM 230 N VAL A 20 5.222 3.030 3.862 1.00 0.00 N ATOM 231 CA VAL A 20 6.489 3.180 3.157 1.00 0.00 C ATOM 232 C VAL A 20 6.648 4.592 2.605 1.00 0.00 C ATOM 233 O VAL A 20 5.663 5.287 2.354 1.00 0.00 O ATOM 234 CB VAL A 20 6.610 2.171 1.999 1.00 0.00 C ATOM 235 CG1 VAL A 20 7.939 2.341 1.279 1.00 0.00 C ATOM 236 CG2 VAL A 20 6.450 0.749 2.513 1.00 0.00 C ATOM 0 H VAL A 20 4.405 3.324 3.328 1.00 0.00 H new ATOM 0 HA VAL A 20 7.279 2.986 3.882 1.00 0.00 H new ATOM 0 HB VAL A 20 5.810 2.366 1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.006 1.620 0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.008 3.351 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.757 2.174 1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.538 0.050 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.226 0.538 3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.470 0.638 2.978 1.00 0.00 H new ATOM 246 N LYS A 21 7.895 5.011 2.417 1.00 0.00 N ATOM 247 CA LYS A 21 8.185 6.341 1.892 1.00 0.00 C ATOM 248 C LYS A 21 8.169 6.339 0.367 1.00 0.00 C ATOM 249 O LYS A 21 8.459 5.324 -0.266 1.00 0.00 O ATOM 250 CB LYS A 21 9.545 6.825 2.399 1.00 0.00 C ATOM 251 CG LYS A 21 9.870 6.362 3.808 1.00 0.00 C ATOM 252 CD LYS A 21 10.796 7.337 4.516 1.00 0.00 C ATOM 253 CE LYS A 21 11.115 6.876 5.930 1.00 0.00 C ATOM 254 NZ LYS A 21 12.270 7.618 6.508 1.00 0.00 N ATOM 0 H LYS A 21 8.721 4.449 2.620 1.00 0.00 H new ATOM 0 HA LYS A 21 7.410 7.021 2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.322 6.472 1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.567 7.914 2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.947 6.255 4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.337 5.378 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.721 7.440 3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.332 8.323 4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.239 7.016 6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.336 5.809 5.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.456 7.275 7.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.112 7.464 5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.050 8.634 6.539 1.00 0.00 H new ATOM 268 N LYS A 22 7.829 7.483 -0.218 1.00 0.00 N ATOM 269 CA LYS A 22 7.778 7.615 -1.669 1.00 0.00 C ATOM 270 C LYS A 22 9.141 7.325 -2.290 1.00 0.00 C ATOM 271 O LYS A 22 9.267 6.458 -3.155 1.00 0.00 O ATOM 272 CB LYS A 22 7.318 9.022 -2.057 1.00 0.00 C ATOM 273 CG LYS A 22 7.297 9.263 -3.557 1.00 0.00 C ATOM 274 CD LYS A 22 7.266 10.747 -3.883 1.00 0.00 C ATOM 275 CE LYS A 22 8.622 11.397 -3.651 1.00 0.00 C ATOM 276 NZ LYS A 22 8.555 12.879 -3.779 1.00 0.00 N ATOM 0 H LYS A 22 7.585 8.332 0.291 1.00 0.00 H new ATOM 0 HA LYS A 22 7.062 6.887 -2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.319 9.192 -1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.978 9.753 -1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.177 8.808 -4.012 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.425 8.776 -3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.968 10.886 -4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.515 11.240 -3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.986 11.134 -2.658 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.342 11.003 -4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.498 13.285 -3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.232 13.131 -4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.888 13.258 -3.077 1.00 0.00 H new ATOM 290 N ILE A 23 10.158 8.054 -1.842 1.00 0.00 N ATOM 291 CA ILE A 23 11.511 7.872 -2.352 1.00 0.00 C ATOM 292 C ILE A 23 12.064 6.504 -1.967 1.00 0.00 C ATOM 293 O ILE A 23 13.159 6.128 -2.384 1.00 0.00 O ATOM 294 CB ILE A 23 12.462 8.964 -1.828 1.00 0.00 C ATOM 295 CG1 ILE A 23 12.800 8.713 -0.357 1.00 0.00 C ATOM 296 CG2 ILE A 23 11.838 10.340 -2.006 1.00 0.00 C ATOM 297 CD1 ILE A 23 11.583 8.640 0.539 1.00 0.00 C ATOM 0 H ILE A 23 10.070 8.776 -1.127 1.00 0.00 H new ATOM 0 HA ILE A 23 11.451 7.945 -3.438 1.00 0.00 H new ATOM 0 HB ILE A 23 13.386 8.928 -2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 23 13.358 7.780 -0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 23 13.455 9.509 -0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.522 11.101 -1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.643 10.517 -3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.901 10.389 -1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.898 8.460 1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.036 9.581 0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.937 7.826 0.210 1.00 0.00 H new ATOM 309 N GLN A 24 11.299 5.765 -1.172 1.00 0.00 N ATOM 310 CA GLN A 24 11.712 4.437 -0.732 1.00 0.00 C ATOM 311 C GLN A 24 10.605 3.416 -0.968 1.00 0.00 C ATOM 312 O GLN A 24 10.277 2.625 -0.084 1.00 0.00 O ATOM 313 CB GLN A 24 12.091 4.463 0.750 1.00 0.00 C ATOM 314 CG GLN A 24 13.096 5.548 1.102 1.00 0.00 C ATOM 315 CD GLN A 24 13.983 5.165 2.270 1.00 0.00 C ATOM 316 OE1 GLN A 24 13.569 4.425 3.163 1.00 0.00 O ATOM 317 NE2 GLN A 24 15.213 5.667 2.269 1.00 0.00 N ATOM 0 H GLN A 24 10.390 6.062 -0.819 1.00 0.00 H new ATOM 0 HA GLN A 24 12.583 4.142 -1.318 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.189 4.608 1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.504 3.493 1.028 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.718 5.758 0.232 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.563 6.468 1.342 1.00 0.00 H new ATOM 0 HE21 GLN A 24 15.515 6.276 1.509 1.00 0.00 H new ATOM 0 HE22 GLN A 24 15.856 5.443 3.029 1.00 0.00 H new ATOM 326 N VAL A 25 10.031 3.438 -2.167 1.00 0.00 N ATOM 327 CA VAL A 25 8.961 2.514 -2.520 1.00 0.00 C ATOM 328 C VAL A 25 9.523 1.195 -3.039 1.00 0.00 C ATOM 329 O VAL A 25 9.125 0.120 -2.590 1.00 0.00 O ATOM 330 CB VAL A 25 8.028 3.116 -3.587 1.00 0.00 C ATOM 331 CG1 VAL A 25 7.197 2.027 -4.247 1.00 0.00 C ATOM 332 CG2 VAL A 25 7.133 4.182 -2.972 1.00 0.00 C ATOM 0 H VAL A 25 10.290 4.087 -2.910 1.00 0.00 H new ATOM 0 HA VAL A 25 8.389 2.330 -1.610 1.00 0.00 H new ATOM 0 HB VAL A 25 8.641 3.587 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.544 2.472 -4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.858 1.304 -4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.592 1.524 -3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.480 4.597 -3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.527 3.737 -2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.750 4.977 -2.552 1.00 0.00 H new ATOM 342 N GLU A 26 10.450 1.285 -3.987 1.00 0.00 N ATOM 343 CA GLU A 26 11.067 0.097 -4.567 1.00 0.00 C ATOM 344 C GLU A 26 11.529 -0.864 -3.476 1.00 0.00 C ATOM 345 O GLU A 26 11.073 -2.005 -3.403 1.00 0.00 O ATOM 346 CB GLU A 26 12.252 0.491 -5.451 1.00 0.00 C ATOM 347 CG GLU A 26 12.703 -0.614 -6.392 1.00 0.00 C ATOM 348 CD GLU A 26 13.906 -0.216 -7.225 1.00 0.00 C ATOM 349 OE1 GLU A 26 15.031 -0.228 -6.683 1.00 0.00 O ATOM 350 OE2 GLU A 26 13.723 0.108 -8.417 1.00 0.00 O ATOM 0 H GLU A 26 10.790 2.167 -4.370 1.00 0.00 H new ATOM 0 HA GLU A 26 10.319 -0.408 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.981 1.368 -6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.089 0.779 -4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.946 -1.504 -5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.879 -0.881 -7.054 1.00 0.00 H new ATOM 357 N LYS A 27 12.438 -0.394 -2.628 1.00 0.00 N ATOM 358 CA LYS A 27 12.963 -1.210 -1.539 1.00 0.00 C ATOM 359 C LYS A 27 11.882 -2.128 -0.977 1.00 0.00 C ATOM 360 O LYS A 27 12.060 -3.344 -0.911 1.00 0.00 O ATOM 361 CB LYS A 27 13.517 -0.316 -0.427 1.00 0.00 C ATOM 362 CG LYS A 27 14.722 0.505 -0.851 1.00 0.00 C ATOM 363 CD LYS A 27 15.973 -0.352 -0.955 1.00 0.00 C ATOM 364 CE LYS A 27 16.960 0.222 -1.961 1.00 0.00 C ATOM 365 NZ LYS A 27 17.877 -0.823 -2.495 1.00 0.00 N ATOM 0 H LYS A 27 12.827 0.548 -2.674 1.00 0.00 H new ATOM 0 HA LYS A 27 13.769 -1.828 -1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.730 0.358 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.793 -0.938 0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.522 0.976 -1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.888 1.307 -0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.449 -0.423 0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.698 -1.365 -1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.414 0.681 -2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.544 1.011 -1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.534 -0.393 -3.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.417 -1.244 -1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.321 -1.563 -2.969 1.00 0.00 H new ATOM 379 N HIS A 28 10.761 -1.537 -0.574 1.00 0.00 N ATOM 380 CA HIS A 28 9.651 -2.303 -0.020 1.00 0.00 C ATOM 381 C HIS A 28 9.123 -3.310 -1.037 1.00 0.00 C ATOM 382 O HIS A 28 9.148 -4.518 -0.802 1.00 0.00 O ATOM 383 CB HIS A 28 8.525 -1.365 0.418 1.00 0.00 C ATOM 384 CG HIS A 28 7.338 -2.079 0.989 1.00 0.00 C ATOM 385 ND1 HIS A 28 7.307 -2.581 2.273 1.00 0.00 N ATOM 386 CD2 HIS A 28 6.135 -2.372 0.442 1.00 0.00 C ATOM 387 CE1 HIS A 28 6.137 -3.153 2.491 1.00 0.00 C ATOM 388 NE2 HIS A 28 5.407 -3.040 1.396 1.00 0.00 N ATOM 0 H HIS A 28 10.598 -0.531 -0.621 1.00 0.00 H new ATOM 0 HA HIS A 28 10.018 -2.850 0.849 1.00 0.00 H new ATOM 0 HB2 HIS A 28 8.912 -0.669 1.162 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.204 -0.771 -0.438 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.809 -2.126 -0.558 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.829 -3.632 3.409 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.457 -3.392 1.278 1.00 0.00 H new ATOM 396 N VAL A 29 8.643 -2.804 -2.169 1.00 0.00 N ATOM 397 CA VAL A 29 8.110 -3.658 -3.223 1.00 0.00 C ATOM 398 C VAL A 29 8.987 -4.888 -3.430 1.00 0.00 C ATOM 399 O VAL A 29 8.489 -6.010 -3.518 1.00 0.00 O ATOM 400 CB VAL A 29 7.989 -2.896 -4.556 1.00 0.00 C ATOM 401 CG1 VAL A 29 7.561 -3.837 -5.672 1.00 0.00 C ATOM 402 CG2 VAL A 29 7.013 -1.737 -4.421 1.00 0.00 C ATOM 0 H VAL A 29 8.613 -1.806 -2.379 1.00 0.00 H new ATOM 0 HA VAL A 29 7.117 -3.974 -2.903 1.00 0.00 H new ATOM 0 HB VAL A 29 8.967 -2.489 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.481 -3.281 -6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.301 -4.629 -5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.594 -4.276 -5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.940 -1.210 -5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.031 -2.119 -4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.368 -1.050 -3.652 1.00 0.00 H new ATOM 412 N SER A 30 10.295 -4.668 -3.508 1.00 0.00 N ATOM 413 CA SER A 30 11.243 -5.759 -3.708 1.00 0.00 C ATOM 414 C SER A 30 10.897 -6.949 -2.818 1.00 0.00 C ATOM 415 O SER A 30 10.733 -8.070 -3.298 1.00 0.00 O ATOM 416 CB SER A 30 12.667 -5.285 -3.415 1.00 0.00 C ATOM 417 OG SER A 30 13.108 -4.358 -4.393 1.00 0.00 O ATOM 0 H SER A 30 10.723 -3.745 -3.436 1.00 0.00 H new ATOM 0 HA SER A 30 11.181 -6.076 -4.749 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.704 -4.823 -2.429 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.341 -6.141 -3.391 1.00 0.00 H new ATOM 0 HG SER A 30 12.590 -3.530 -4.316 1.00 0.00 H new ATOM 423 N ASN A 31 10.789 -6.696 -1.518 1.00 0.00 N ATOM 424 CA ASN A 31 10.464 -7.746 -0.559 1.00 0.00 C ATOM 425 C ASN A 31 8.994 -8.142 -0.664 1.00 0.00 C ATOM 426 O ASN A 31 8.660 -9.327 -0.698 1.00 0.00 O ATOM 427 CB ASN A 31 10.778 -7.281 0.864 1.00 0.00 C ATOM 428 CG ASN A 31 10.633 -8.396 1.882 1.00 0.00 C ATOM 429 OD1 ASN A 31 11.428 -9.336 1.906 1.00 0.00 O ATOM 430 ND2 ASN A 31 9.615 -8.296 2.728 1.00 0.00 N ATOM 0 H ASN A 31 10.922 -5.773 -1.104 1.00 0.00 H new ATOM 0 HA ASN A 31 11.075 -8.618 -0.792 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.795 -6.890 0.900 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.112 -6.460 1.131 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.467 -9.016 3.435 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.981 -7.499 2.671 1.00 0.00 H new ATOM 437 N CYS A 32 8.120 -7.143 -0.717 1.00 0.00 N ATOM 438 CA CYS A 32 6.686 -7.385 -0.818 1.00 0.00 C ATOM 439 C CYS A 32 6.276 -7.625 -2.268 1.00 0.00 C ATOM 440 O CYS A 32 6.088 -6.681 -3.035 1.00 0.00 O ATOM 441 CB CYS A 32 5.906 -6.200 -0.246 1.00 0.00 C ATOM 442 SG CYS A 32 4.279 -6.645 0.444 1.00 0.00 S ATOM 0 H CYS A 32 8.380 -6.157 -0.692 1.00 0.00 H new ATOM 0 HA CYS A 32 6.452 -8.279 -0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.503 -5.728 0.534 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.765 -5.458 -1.032 1.00 0.00 H new ATOM 0 HG CYS A 32 3.538 -5.580 0.531 1.00 0.00 H new ATOM 447 N ARG A 33 6.140 -8.895 -2.637 1.00 0.00 N ATOM 448 CA ARG A 33 5.754 -9.259 -3.994 1.00 0.00 C ATOM 449 C ARG A 33 4.270 -8.992 -4.228 1.00 0.00 C ATOM 450 O ARG A 33 3.846 -8.727 -5.352 1.00 0.00 O ATOM 451 CB ARG A 33 6.065 -10.734 -4.258 1.00 0.00 C ATOM 452 CG ARG A 33 7.550 -11.027 -4.396 1.00 0.00 C ATOM 453 CD ARG A 33 7.797 -12.475 -4.790 1.00 0.00 C ATOM 454 NE ARG A 33 7.829 -13.361 -3.630 1.00 0.00 N ATOM 455 CZ ARG A 33 8.915 -13.571 -2.894 1.00 0.00 C ATOM 456 NH1 ARG A 33 10.052 -12.961 -3.197 1.00 0.00 N ATOM 457 NH2 ARG A 33 8.864 -14.391 -1.853 1.00 0.00 N ATOM 0 H ARG A 33 6.292 -9.689 -2.014 1.00 0.00 H new ATOM 0 HA ARG A 33 6.330 -8.644 -4.685 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.659 -11.334 -3.444 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.555 -11.047 -5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.985 -10.365 -5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.053 -10.814 -3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.015 -12.803 -5.475 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.742 -12.548 -5.328 1.00 0.00 H new ATOM 0 HE ARG A 33 6.970 -13.846 -3.370 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.094 -12.329 -3.996 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.885 -13.124 -2.631 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.990 -14.861 -1.617 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.698 -14.551 -1.289 1.00 0.00 H new ATOM 471 N ASN A 34 3.485 -9.065 -3.157 1.00 0.00 N ATOM 472 CA ASN A 34 2.048 -8.833 -3.245 1.00 0.00 C ATOM 473 C ASN A 34 1.748 -7.347 -3.416 1.00 0.00 C ATOM 474 O ASN A 34 0.631 -6.966 -3.768 1.00 0.00 O ATOM 475 CB ASN A 34 1.347 -9.366 -1.995 1.00 0.00 C ATOM 476 CG ASN A 34 1.942 -10.674 -1.511 1.00 0.00 C ATOM 477 OD1 ASN A 34 3.030 -10.698 -0.934 1.00 0.00 O ATOM 478 ND2 ASN A 34 1.230 -11.770 -1.745 1.00 0.00 N ATOM 0 H ASN A 34 3.820 -9.283 -2.219 1.00 0.00 H new ATOM 0 HA ASN A 34 1.671 -9.365 -4.119 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.414 -8.623 -1.200 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.288 -9.509 -2.209 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.580 -12.679 -1.443 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.333 -11.703 -2.227 1.00 0.00 H new ATOM 485 N CYS A 35 2.751 -6.513 -3.165 1.00 0.00 N ATOM 486 CA CYS A 35 2.594 -5.068 -3.291 1.00 0.00 C ATOM 487 C CYS A 35 2.405 -4.667 -4.751 1.00 0.00 C ATOM 488 O CYS A 35 3.362 -4.637 -5.524 1.00 0.00 O ATOM 489 CB CYS A 35 3.810 -4.349 -2.705 1.00 0.00 C ATOM 490 SG CYS A 35 3.949 -2.615 -3.195 1.00 0.00 S ATOM 0 H CYS A 35 3.681 -6.812 -2.873 1.00 0.00 H new ATOM 0 HA CYS A 35 1.704 -4.774 -2.734 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.763 -4.405 -1.617 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.713 -4.876 -3.013 1.00 0.00 H new ATOM 0 HG CYS A 35 4.918 -2.054 -2.534 1.00 0.00 H new ATOM 496 N GLU A 36 1.165 -4.361 -5.119 1.00 0.00 N ATOM 497 CA GLU A 36 0.852 -3.964 -6.487 1.00 0.00 C ATOM 498 C GLU A 36 0.290 -2.546 -6.527 1.00 0.00 C ATOM 499 O GLU A 36 0.532 -1.797 -7.475 1.00 0.00 O ATOM 500 CB GLU A 36 -0.151 -4.939 -7.107 1.00 0.00 C ATOM 501 CG GLU A 36 -1.452 -5.050 -6.331 1.00 0.00 C ATOM 502 CD GLU A 36 -2.352 -6.153 -6.855 1.00 0.00 C ATOM 503 OE1 GLU A 36 -1.829 -7.092 -7.490 1.00 0.00 O ATOM 504 OE2 GLU A 36 -3.578 -6.076 -6.630 1.00 0.00 O ATOM 0 H GLU A 36 0.362 -4.380 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 36 1.776 -3.987 -7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.372 -4.621 -8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.308 -5.926 -7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.229 -5.236 -5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.982 -4.099 -6.381 1.00 0.00 H new ATOM 511 N CYS A 37 -0.460 -2.184 -5.492 1.00 0.00 N ATOM 512 CA CYS A 37 -1.058 -0.856 -5.409 1.00 0.00 C ATOM 513 C CYS A 37 -0.868 -0.261 -4.017 1.00 0.00 C ATOM 514 O CYS A 37 -0.878 -0.979 -3.016 1.00 0.00 O ATOM 515 CB CYS A 37 -2.548 -0.923 -5.749 1.00 0.00 C ATOM 516 SG CYS A 37 -3.492 -2.062 -4.710 1.00 0.00 S ATOM 0 H CYS A 37 -0.668 -2.791 -4.699 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.556 -0.212 -6.132 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.976 0.075 -5.657 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.659 -1.222 -6.791 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.405 -2.648 -5.427 1.00 0.00 H new ATOM 522 N LEU A 38 -0.693 1.055 -3.962 1.00 0.00 N ATOM 523 CA LEU A 38 -0.499 1.748 -2.693 1.00 0.00 C ATOM 524 C LEU A 38 -1.558 2.827 -2.493 1.00 0.00 C ATOM 525 O LEU A 38 -1.977 3.483 -3.446 1.00 0.00 O ATOM 526 CB LEU A 38 0.897 2.371 -2.638 1.00 0.00 C ATOM 527 CG LEU A 38 2.001 1.611 -3.373 1.00 0.00 C ATOM 528 CD1 LEU A 38 3.068 2.571 -3.875 1.00 0.00 C ATOM 529 CD2 LEU A 38 2.616 0.554 -2.467 1.00 0.00 C ATOM 0 H LEU A 38 -0.681 1.663 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.596 1.017 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.840 3.378 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.187 2.471 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 38 1.558 1.110 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.845 2.011 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.618 3.289 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.507 3.101 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.400 0.023 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.043 1.034 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.846 -0.153 -2.158 1.00 0.00 H new ATOM 541 N SER A 39 -1.986 3.006 -1.248 1.00 0.00 N ATOM 542 CA SER A 39 -2.998 4.004 -0.923 1.00 0.00 C ATOM 543 C SER A 39 -2.416 5.098 -0.032 1.00 0.00 C ATOM 544 O SER A 39 -2.159 4.879 1.152 1.00 0.00 O ATOM 545 CB SER A 39 -4.190 3.345 -0.227 1.00 0.00 C ATOM 546 OG SER A 39 -4.926 2.539 -1.131 1.00 0.00 O ATOM 0 H SER A 39 -1.648 2.473 -0.447 1.00 0.00 H new ATOM 0 HA SER A 39 -3.336 4.459 -1.854 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.838 2.735 0.605 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.840 4.113 0.193 1.00 0.00 H new ATOM 0 HG SER A 39 -5.624 3.079 -1.557 1.00 0.00 H new ATOM 552 N CYS A 40 -2.210 6.276 -0.611 1.00 0.00 N ATOM 553 CA CYS A 40 -1.658 7.405 0.127 1.00 0.00 C ATOM 554 C CYS A 40 -2.368 7.579 1.466 1.00 0.00 C ATOM 555 O CYS A 40 -3.510 7.148 1.636 1.00 0.00 O ATOM 556 CB CYS A 40 -1.779 8.689 -0.697 1.00 0.00 C ATOM 557 SG CYS A 40 -0.958 10.133 0.051 1.00 0.00 S ATOM 0 H CYS A 40 -2.417 6.473 -1.590 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.604 7.201 0.318 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.354 8.515 -1.686 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.835 8.918 -0.840 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.581 10.952 -0.886 1.00 0.00 H new ATOM 562 N ILE A 41 -1.686 8.212 2.414 1.00 0.00 N ATOM 563 CA ILE A 41 -2.252 8.444 3.737 1.00 0.00 C ATOM 564 C ILE A 41 -2.485 9.931 3.983 1.00 0.00 C ATOM 565 O ILE A 41 -3.295 10.311 4.828 1.00 0.00 O ATOM 566 CB ILE A 41 -1.337 7.889 4.846 1.00 0.00 C ATOM 567 CG1 ILE A 41 0.049 8.532 4.763 1.00 0.00 C ATOM 568 CG2 ILE A 41 -1.232 6.376 4.738 1.00 0.00 C ATOM 569 CD1 ILE A 41 0.893 8.309 5.998 1.00 0.00 C ATOM 0 H ILE A 41 -0.740 8.574 2.291 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.207 7.919 3.768 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.774 8.135 5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.575 8.132 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.066 9.604 4.600 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.582 5.999 5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.223 5.934 4.841 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.815 6.109 3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.861 8.792 5.869 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.388 8.734 6.865 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.039 7.240 6.151 1.00 0.00 H new ATOM 581 N ASP A 42 -1.771 10.767 3.237 1.00 0.00 N ATOM 582 CA ASP A 42 -1.901 12.213 3.371 1.00 0.00 C ATOM 583 C ASP A 42 -3.251 12.688 2.842 1.00 0.00 C ATOM 584 O ASP A 42 -3.967 13.431 3.515 1.00 0.00 O ATOM 585 CB ASP A 42 -0.770 12.920 2.624 1.00 0.00 C ATOM 586 CG ASP A 42 0.463 13.111 3.486 1.00 0.00 C ATOM 587 OD1 ASP A 42 0.383 13.866 4.477 1.00 0.00 O ATOM 588 OD2 ASP A 42 1.508 12.504 3.170 1.00 0.00 O ATOM 0 H ASP A 42 -1.096 10.468 2.533 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.837 12.462 4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.505 12.341 1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.120 13.892 2.276 1.00 0.00 H new ATOM 593 N CYS A 43 -3.593 12.255 1.633 1.00 0.00 N ATOM 594 CA CYS A 43 -4.855 12.637 1.012 1.00 0.00 C ATOM 595 C CYS A 43 -5.767 11.425 0.845 1.00 0.00 C ATOM 596 O CYS A 43 -6.966 11.494 1.114 1.00 0.00 O ATOM 597 CB CYS A 43 -4.602 13.290 -0.348 1.00 0.00 C ATOM 598 SG CYS A 43 -3.747 12.213 -1.542 1.00 0.00 S ATOM 0 H CYS A 43 -3.013 11.639 1.064 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.350 13.355 1.665 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.556 13.600 -0.773 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.010 14.193 -0.201 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.816 11.541 -0.932 1.00 0.00 H new ATOM 603 N GLY A 44 -5.190 10.313 0.399 1.00 0.00 N ATOM 604 CA GLY A 44 -5.964 9.102 0.204 1.00 0.00 C ATOM 605 C GLY A 44 -6.317 8.867 -1.252 1.00 0.00 C ATOM 606 O GLY A 44 -7.401 9.237 -1.703 1.00 0.00 O ATOM 0 H GLY A 44 -4.200 10.230 0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.399 8.249 0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.880 9.161 0.792 1.00 0.00 H new ATOM 610 N LYS A 45 -5.399 8.253 -1.990 1.00 0.00 N ATOM 611 CA LYS A 45 -5.617 7.969 -3.404 1.00 0.00 C ATOM 612 C LYS A 45 -4.927 6.672 -3.812 1.00 0.00 C ATOM 613 O LYS A 45 -3.731 6.495 -3.579 1.00 0.00 O ATOM 614 CB LYS A 45 -5.101 9.126 -4.262 1.00 0.00 C ATOM 615 CG LYS A 45 -5.862 9.304 -5.565 1.00 0.00 C ATOM 616 CD LYS A 45 -5.599 8.157 -6.526 1.00 0.00 C ATOM 617 CE LYS A 45 -5.746 8.598 -7.974 1.00 0.00 C ATOM 618 NZ LYS A 45 -7.166 8.565 -8.421 1.00 0.00 N ATOM 0 H LYS A 45 -4.496 7.942 -1.632 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.689 7.855 -3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.162 10.050 -3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.047 8.959 -4.486 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.930 9.368 -5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.571 10.245 -6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.594 7.768 -6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.293 7.342 -6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.353 9.608 -8.088 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.148 7.949 -8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.225 8.872 -9.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.534 7.596 -8.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.732 9.204 -7.827 1.00 0.00 H new ATOM 632 N ASP A 46 -5.687 5.769 -4.421 1.00 0.00 N ATOM 633 CA ASP A 46 -5.147 4.489 -4.864 1.00 0.00 C ATOM 634 C ASP A 46 -4.267 4.667 -6.097 1.00 0.00 C ATOM 635 O ASP A 46 -4.702 5.218 -7.109 1.00 0.00 O ATOM 636 CB ASP A 46 -6.283 3.511 -5.170 1.00 0.00 C ATOM 637 CG ASP A 46 -7.396 3.577 -4.143 1.00 0.00 C ATOM 638 OD1 ASP A 46 -7.270 2.923 -3.087 1.00 0.00 O ATOM 639 OD2 ASP A 46 -8.394 4.284 -4.396 1.00 0.00 O ATOM 0 H ASP A 46 -6.679 5.900 -4.619 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.535 4.083 -4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.690 3.729 -6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.885 2.497 -5.206 1.00 0.00 H new ATOM 644 N PHE A 47 -3.027 4.200 -6.005 1.00 0.00 N ATOM 645 CA PHE A 47 -2.084 4.309 -7.113 1.00 0.00 C ATOM 646 C PHE A 47 -1.643 2.929 -7.591 1.00 0.00 C ATOM 647 O PHE A 47 -0.823 2.271 -6.950 1.00 0.00 O ATOM 648 CB PHE A 47 -0.863 5.130 -6.692 1.00 0.00 C ATOM 649 CG PHE A 47 -1.165 6.585 -6.472 1.00 0.00 C ATOM 650 CD1 PHE A 47 -1.554 7.392 -7.529 1.00 0.00 C ATOM 651 CD2 PHE A 47 -1.060 7.145 -5.210 1.00 0.00 C ATOM 652 CE1 PHE A 47 -1.833 8.731 -7.331 1.00 0.00 C ATOM 653 CE2 PHE A 47 -1.338 8.483 -5.005 1.00 0.00 C ATOM 654 CZ PHE A 47 -1.723 9.278 -6.067 1.00 0.00 C ATOM 0 H PHE A 47 -2.651 3.742 -5.175 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.587 4.815 -7.937 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.452 4.710 -5.774 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.092 5.039 -7.458 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.640 6.970 -8.519 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.757 6.529 -4.376 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.137 9.349 -8.163 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.254 8.907 -4.015 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.938 10.325 -5.910 1.00 0.00 H new ATOM 664 N TRP A 48 -2.194 2.497 -8.719 1.00 0.00 N ATOM 665 CA TRP A 48 -1.859 1.194 -9.283 1.00 0.00 C ATOM 666 C TRP A 48 -0.643 1.294 -10.199 1.00 0.00 C ATOM 667 O TRP A 48 -0.326 2.368 -10.710 1.00 0.00 O ATOM 668 CB TRP A 48 -3.050 0.629 -10.057 1.00 0.00 C ATOM 669 CG TRP A 48 -4.212 0.271 -9.180 1.00 0.00 C ATOM 670 CD1 TRP A 48 -5.183 1.115 -8.722 1.00 0.00 C ATOM 671 CD2 TRP A 48 -4.523 -1.024 -8.656 1.00 0.00 C ATOM 672 NE1 TRP A 48 -6.079 0.423 -7.943 1.00 0.00 N ATOM 673 CE2 TRP A 48 -5.697 -0.892 -7.888 1.00 0.00 C ATOM 674 CE3 TRP A 48 -3.926 -2.283 -8.761 1.00 0.00 C ATOM 675 CZ2 TRP A 48 -6.281 -1.971 -7.230 1.00 0.00 C ATOM 676 CZ3 TRP A 48 -4.507 -3.353 -8.107 1.00 0.00 C ATOM 677 CH2 TRP A 48 -5.675 -3.192 -7.351 1.00 0.00 C ATOM 0 H TRP A 48 -2.874 3.029 -9.261 1.00 0.00 H new ATOM 0 HA TRP A 48 -1.617 0.521 -8.460 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.374 1.361 -10.797 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.731 -0.258 -10.605 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.239 2.171 -8.940 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.896 0.823 -7.481 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.026 -2.418 -9.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.180 -1.849 -6.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.053 -4.330 -8.180 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -6.106 -4.048 -6.854 1.00 0.00 H new ATOM 688 N GLY A 49 0.033 0.168 -10.403 1.00 0.00 N ATOM 689 CA GLY A 49 1.206 0.151 -11.257 1.00 0.00 C ATOM 690 C GLY A 49 2.219 1.212 -10.872 1.00 0.00 C ATOM 691 O GLY A 49 2.486 1.424 -9.690 1.00 0.00 O ATOM 0 H GLY A 49 -0.211 -0.733 -9.992 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.676 -0.831 -11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.900 0.303 -12.292 1.00 0.00 H new ATOM 695 N ASP A 50 2.785 1.878 -11.873 1.00 0.00 N ATOM 696 CA ASP A 50 3.775 2.921 -11.633 1.00 0.00 C ATOM 697 C ASP A 50 3.124 4.301 -11.646 1.00 0.00 C ATOM 698 O ASP A 50 3.632 5.233 -12.269 1.00 0.00 O ATOM 699 CB ASP A 50 4.881 2.856 -12.688 1.00 0.00 C ATOM 700 CG ASP A 50 4.336 2.898 -14.102 1.00 0.00 C ATOM 701 OD1 ASP A 50 3.979 1.825 -14.631 1.00 0.00 O ATOM 702 OD2 ASP A 50 4.267 4.003 -14.679 1.00 0.00 O ATOM 0 H ASP A 50 2.575 1.714 -12.858 1.00 0.00 H new ATOM 0 HA ASP A 50 4.212 2.754 -10.648 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.568 3.690 -12.542 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.457 1.941 -12.551 1.00 0.00 H new ATOM 707 N ASP A 51 1.996 4.423 -10.954 1.00 0.00 N ATOM 708 CA ASP A 51 1.275 5.689 -10.885 1.00 0.00 C ATOM 709 C ASP A 51 1.767 6.532 -9.713 1.00 0.00 C ATOM 710 O ASP A 51 2.080 7.712 -9.872 1.00 0.00 O ATOM 711 CB ASP A 51 -0.228 5.438 -10.753 1.00 0.00 C ATOM 712 CG ASP A 51 -1.050 6.681 -11.032 1.00 0.00 C ATOM 713 OD1 ASP A 51 -0.571 7.791 -10.720 1.00 0.00 O ATOM 714 OD2 ASP A 51 -2.172 6.543 -11.562 1.00 0.00 O ATOM 0 H ASP A 51 1.562 3.661 -10.433 1.00 0.00 H new ATOM 0 HA ASP A 51 1.464 6.237 -11.808 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.523 4.648 -11.444 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.446 5.080 -9.747 1.00 0.00 H new ATOM 719 N TYR A 52 1.833 5.919 -8.537 1.00 0.00 N ATOM 720 CA TYR A 52 2.284 6.614 -7.337 1.00 0.00 C ATOM 721 C TYR A 52 3.369 7.633 -7.673 1.00 0.00 C ATOM 722 O TYR A 52 3.268 8.806 -7.312 1.00 0.00 O ATOM 723 CB TYR A 52 2.813 5.611 -6.310 1.00 0.00 C ATOM 724 CG TYR A 52 3.950 4.759 -6.825 1.00 0.00 C ATOM 725 CD1 TYR A 52 3.709 3.673 -7.658 1.00 0.00 C ATOM 726 CD2 TYR A 52 5.266 5.038 -6.478 1.00 0.00 C ATOM 727 CE1 TYR A 52 4.745 2.891 -8.131 1.00 0.00 C ATOM 728 CE2 TYR A 52 6.309 4.262 -6.947 1.00 0.00 C ATOM 729 CZ TYR A 52 6.043 3.190 -7.773 1.00 0.00 C ATOM 730 OH TYR A 52 7.079 2.414 -8.241 1.00 0.00 O ATOM 0 H TYR A 52 1.580 4.942 -8.389 1.00 0.00 H new ATOM 0 HA TYR A 52 1.431 7.144 -6.913 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.148 6.152 -5.425 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.996 4.961 -5.996 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.694 3.436 -7.941 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.478 5.876 -5.830 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.540 2.050 -8.777 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.326 4.494 -6.668 1.00 0.00 H new ATOM 0 HH TYR A 52 7.929 2.760 -7.896 1.00 0.00 H new ATOM 740 N LYS A 53 4.405 7.177 -8.367 1.00 0.00 N ATOM 741 CA LYS A 53 5.509 8.047 -8.756 1.00 0.00 C ATOM 742 C LYS A 53 5.003 9.440 -9.118 1.00 0.00 C ATOM 743 O LYS A 53 5.400 10.433 -8.510 1.00 0.00 O ATOM 744 CB LYS A 53 6.268 7.445 -9.940 1.00 0.00 C ATOM 745 CG LYS A 53 6.858 6.075 -9.651 1.00 0.00 C ATOM 746 CD LYS A 53 7.033 5.264 -10.924 1.00 0.00 C ATOM 747 CE LYS A 53 8.398 5.499 -11.552 1.00 0.00 C ATOM 748 NZ LYS A 53 8.400 6.691 -12.444 1.00 0.00 N ATOM 0 H LYS A 53 4.504 6.209 -8.672 1.00 0.00 H new ATOM 0 HA LYS A 53 6.186 8.135 -7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.593 7.368 -10.792 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.071 8.123 -10.229 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.822 6.190 -9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.208 5.536 -8.961 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.912 4.204 -10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.253 5.531 -11.637 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.141 5.632 -10.766 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.692 4.618 -12.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.965 6.488 -13.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.424 6.917 -12.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.813 7.501 -11.940 1.00 0.00 H new ATOM 762 N SER A 54 4.122 9.504 -10.112 1.00 0.00 N ATOM 763 CA SER A 54 3.563 10.775 -10.557 1.00 0.00 C ATOM 764 C SER A 54 3.102 11.612 -9.367 1.00 0.00 C ATOM 765 O SER A 54 3.321 12.823 -9.323 1.00 0.00 O ATOM 766 CB SER A 54 2.391 10.535 -11.510 1.00 0.00 C ATOM 767 OG SER A 54 1.252 10.064 -10.811 1.00 0.00 O ATOM 0 H SER A 54 3.780 8.691 -10.624 1.00 0.00 H new ATOM 0 HA SER A 54 4.344 11.323 -11.084 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.145 11.461 -12.029 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.680 9.810 -12.271 1.00 0.00 H new ATOM 0 HG SER A 54 1.504 9.300 -10.251 1.00 0.00 H new ATOM 773 N HIS A 55 2.462 10.957 -8.403 1.00 0.00 N ATOM 774 CA HIS A 55 1.971 11.639 -7.212 1.00 0.00 C ATOM 775 C HIS A 55 3.127 12.208 -6.395 1.00 0.00 C ATOM 776 O HIS A 55 3.827 11.475 -5.697 1.00 0.00 O ATOM 777 CB HIS A 55 1.147 10.680 -6.352 1.00 0.00 C ATOM 778 CG HIS A 55 0.497 11.339 -5.175 1.00 0.00 C ATOM 779 ND1 HIS A 55 -0.487 12.297 -5.297 1.00 0.00 N ATOM 780 CD2 HIS A 55 0.693 11.170 -3.846 1.00 0.00 C ATOM 781 CE1 HIS A 55 -0.866 12.691 -4.094 1.00 0.00 C ATOM 782 NE2 HIS A 55 -0.166 12.023 -3.196 1.00 0.00 N ATOM 0 H HIS A 55 2.272 9.955 -8.424 1.00 0.00 H new ATOM 0 HA HIS A 55 1.336 12.464 -7.533 1.00 0.00 H new ATOM 0 HB2 HIS A 55 0.377 10.220 -6.971 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.793 9.877 -5.997 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.864 12.647 -6.178 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.394 10.491 -3.383 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.621 13.434 -3.881 1.00 0.00 H new ATOM 790 N VAL A 56 3.322 13.520 -6.488 1.00 0.00 N ATOM 791 CA VAL A 56 4.393 14.187 -5.757 1.00 0.00 C ATOM 792 C VAL A 56 3.851 14.923 -4.537 1.00 0.00 C ATOM 793 O VAL A 56 4.285 14.684 -3.410 1.00 0.00 O ATOM 794 CB VAL A 56 5.145 15.188 -6.654 1.00 0.00 C ATOM 795 CG1 VAL A 56 6.224 15.910 -5.861 1.00 0.00 C ATOM 796 CG2 VAL A 56 5.744 14.477 -7.859 1.00 0.00 C ATOM 0 H VAL A 56 2.752 14.142 -7.062 1.00 0.00 H new ATOM 0 HA VAL A 56 5.085 13.410 -5.431 1.00 0.00 H new ATOM 0 HB VAL A 56 4.434 15.931 -7.015 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.745 16.613 -6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.766 16.452 -5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.935 15.183 -5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.272 15.199 -8.482 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.442 13.712 -7.520 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.948 14.011 -8.439 1.00 0.00 H new ATOM 806 N LYS A 57 2.898 15.819 -4.769 1.00 0.00 N ATOM 807 CA LYS A 57 2.293 16.590 -3.689 1.00 0.00 C ATOM 808 C LYS A 57 0.814 16.250 -3.540 1.00 0.00 C ATOM 809 O LYS A 57 0.169 15.808 -4.491 1.00 0.00 O ATOM 810 CB LYS A 57 2.459 18.089 -3.950 1.00 0.00 C ATOM 811 CG LYS A 57 3.909 18.534 -4.038 1.00 0.00 C ATOM 812 CD LYS A 57 4.529 18.691 -2.660 1.00 0.00 C ATOM 813 CE LYS A 57 4.182 20.037 -2.042 1.00 0.00 C ATOM 814 NZ LYS A 57 4.203 19.986 -0.554 1.00 0.00 N ATOM 0 H LYS A 57 2.528 16.029 -5.696 1.00 0.00 H new ATOM 0 HA LYS A 57 2.803 16.330 -2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.952 18.346 -4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.965 18.645 -3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.480 17.805 -4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.968 19.481 -4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.179 17.890 -2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.612 18.592 -2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.890 20.789 -2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.194 20.348 -2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.961 20.922 -0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.510 19.286 -0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.153 19.714 -0.229 1.00 0.00 H new ATOM 828 N CYS A 58 0.281 16.460 -2.341 1.00 0.00 N ATOM 829 CA CYS A 58 -1.123 16.177 -2.067 1.00 0.00 C ATOM 830 C CYS A 58 -1.956 17.454 -2.124 1.00 0.00 C ATOM 831 O CYS A 58 -2.818 17.682 -1.275 1.00 0.00 O ATOM 832 CB CYS A 58 -1.273 15.517 -0.695 1.00 0.00 C ATOM 833 SG CYS A 58 -0.319 13.977 -0.502 1.00 0.00 S ATOM 0 H CYS A 58 0.801 16.825 -1.543 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.487 15.493 -2.833 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.960 16.224 0.073 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.327 15.303 -0.520 1.00 0.00 H new ATOM 0 HG CYS A 58 -0.356 13.302 -1.612 1.00 0.00 H new