USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=19 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 156:sc= -0.331 USER MOD Set 1.2: A 43 CYS SG : rot -49:sc= -1.06 USER MOD Set 1.3: A 55 HIS : no HE2:sc= 0.16 K(o=-0.65,f=-1.7) USER MOD Set 1.4: A 58 CYS SG : rot -82:sc= 0.578 USER MOD Set 2.1: A 13 CYS SG : rot 40:sc= -1.82! USER MOD Set 2.2: A 16 CYS SG : rot -51:sc= -0.202 USER MOD Set 2.3: A 28 HIS : no HD1:sc= -2.22! C(o=-4!,f=-9!) USER MOD Set 2.4: A 32 CYS SG : rot -161:sc= 0.253 USER MOD Single : A 8 MET CE :methyl -160:sc= -0.107 (180deg=-0.587) USER MOD Single : A 12 THR OG1 : rot -11:sc= -0.997 USER MOD Single : A 14 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.8) 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+ 157:sc= 0.0104 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 34 ASN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.344 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.204 USER MOD Single : A 39 SER OG : rot 26:sc= 0.791 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.653 USER MOD Single : A 53 LYS NZ :NH3+ -144:sc= -1.42 (180deg=-3.32!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -158:sc= -0.0537 (180deg=-0.362) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 7.851 14.150 2.513 1.00 0.00 N ATOM 67 CA MET A 8 7.641 13.204 1.424 1.00 0.00 C ATOM 68 C MET A 8 6.275 12.535 1.540 1.00 0.00 C ATOM 69 O MET A 8 5.623 12.610 2.581 1.00 0.00 O ATOM 70 CB MET A 8 8.743 12.143 1.422 1.00 0.00 C ATOM 71 CG MET A 8 8.998 11.529 2.789 1.00 0.00 C ATOM 72 SD MET A 8 9.844 12.660 3.910 1.00 0.00 S ATOM 73 CE MET A 8 11.461 12.750 3.144 1.00 0.00 C ATOM 0 HA MET A 8 7.676 13.756 0.485 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.473 11.352 0.722 1.00 0.00 H new ATOM 0 HB3 MET A 8 9.667 12.591 1.056 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.048 11.228 3.231 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.596 10.625 2.671 1.00 0.00 H new ATOM 0 HE1 MET A 8 12.190 13.103 3.873 1.00 0.00 H new ATOM 0 HE2 MET A 8 11.751 11.761 2.790 1.00 0.00 H new ATOM 0 HE3 MET A 8 11.427 13.441 2.302 1.00 0.00 H new ATOM 83 N VAL A 9 5.847 11.881 0.464 1.00 0.00 N ATOM 84 CA VAL A 9 4.559 11.199 0.446 1.00 0.00 C ATOM 85 C VAL A 9 4.684 9.776 0.981 1.00 0.00 C ATOM 86 O VAL A 9 5.679 9.095 0.736 1.00 0.00 O ATOM 87 CB VAL A 9 3.969 11.151 -0.976 1.00 0.00 C ATOM 88 CG1 VAL A 9 2.651 10.392 -0.982 1.00 0.00 C ATOM 89 CG2 VAL A 9 3.785 12.559 -1.523 1.00 0.00 C ATOM 0 H VAL A 9 6.374 11.810 -0.406 1.00 0.00 H new ATOM 0 HA VAL A 9 3.889 11.769 1.090 1.00 0.00 H new ATOM 0 HB VAL A 9 4.668 10.622 -1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.249 10.369 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.817 9.373 -0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.941 10.890 -0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.367 12.507 -2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.106 13.115 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.750 13.065 -1.557 1.00 0.00 H new ATOM 99 N PHE A 10 3.666 9.334 1.711 1.00 0.00 N ATOM 100 CA PHE A 10 3.661 7.991 2.281 1.00 0.00 C ATOM 101 C PHE A 10 2.470 7.187 1.769 1.00 0.00 C ATOM 102 O PHE A 10 1.387 7.731 1.548 1.00 0.00 O ATOM 103 CB PHE A 10 3.622 8.064 3.809 1.00 0.00 C ATOM 104 CG PHE A 10 4.857 8.670 4.412 1.00 0.00 C ATOM 105 CD1 PHE A 10 5.182 9.995 4.172 1.00 0.00 C ATOM 106 CD2 PHE A 10 5.692 7.915 5.219 1.00 0.00 C ATOM 107 CE1 PHE A 10 6.317 10.557 4.725 1.00 0.00 C ATOM 108 CE2 PHE A 10 6.829 8.471 5.776 1.00 0.00 C ATOM 109 CZ PHE A 10 7.142 9.793 5.527 1.00 0.00 C ATOM 0 H PHE A 10 2.834 9.885 1.922 1.00 0.00 H new ATOM 0 HA PHE A 10 4.577 7.488 1.971 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.754 8.648 4.115 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.487 7.059 4.209 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.540 10.596 3.545 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.452 6.880 5.415 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.558 11.592 4.530 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.471 7.872 6.405 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.031 10.229 5.959 1.00 0.00 H new ATOM 119 N PHE A 11 2.677 5.888 1.580 1.00 0.00 N ATOM 120 CA PHE A 11 1.622 5.008 1.092 1.00 0.00 C ATOM 121 C PHE A 11 1.418 3.828 2.037 1.00 0.00 C ATOM 122 O PHE A 11 2.366 3.337 2.651 1.00 0.00 O ATOM 123 CB PHE A 11 1.961 4.500 -0.311 1.00 0.00 C ATOM 124 CG PHE A 11 2.195 5.600 -1.306 1.00 0.00 C ATOM 125 CD1 PHE A 11 1.132 6.180 -1.979 1.00 0.00 C ATOM 126 CD2 PHE A 11 3.477 6.054 -1.569 1.00 0.00 C ATOM 127 CE1 PHE A 11 1.344 7.192 -2.897 1.00 0.00 C ATOM 128 CE2 PHE A 11 3.696 7.066 -2.485 1.00 0.00 C ATOM 129 CZ PHE A 11 2.627 7.636 -3.149 1.00 0.00 C ATOM 0 H PHE A 11 3.566 5.421 1.758 1.00 0.00 H new ATOM 0 HA PHE A 11 0.696 5.581 1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.852 3.874 -0.257 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.148 3.867 -0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.126 5.838 -1.784 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.316 5.612 -1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.507 7.635 -3.416 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.701 7.410 -2.681 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.795 8.428 -3.864 1.00 0.00 H new ATOM 139 N THR A 12 0.173 3.376 2.150 1.00 0.00 N ATOM 140 CA THR A 12 -0.158 2.255 3.021 1.00 0.00 C ATOM 141 C THR A 12 -0.231 0.951 2.234 1.00 0.00 C ATOM 142 O THR A 12 -1.261 0.629 1.640 1.00 0.00 O ATOM 143 CB THR A 12 -1.499 2.481 3.743 1.00 0.00 C ATOM 144 OG1 THR A 12 -1.438 3.680 4.525 1.00 0.00 O ATOM 145 CG2 THR A 12 -1.836 1.301 4.641 1.00 0.00 C ATOM 0 H THR A 12 -0.623 3.770 1.649 1.00 0.00 H new ATOM 0 HA THR A 12 0.638 2.185 3.763 1.00 0.00 H new ATOM 0 HB THR A 12 -2.280 2.578 2.989 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.511 3.994 4.570 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.788 1.484 5.140 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.910 0.395 4.039 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.052 1.177 5.388 1.00 0.00 H new ATOM 153 N CYS A 13 0.867 0.203 2.235 1.00 0.00 N ATOM 154 CA CYS A 13 0.928 -1.068 1.522 1.00 0.00 C ATOM 155 C CYS A 13 -0.227 -1.977 1.932 1.00 0.00 C ATOM 156 O CYS A 13 -0.289 -2.444 3.068 1.00 0.00 O ATOM 157 CB CYS A 13 2.262 -1.765 1.793 1.00 0.00 C ATOM 158 SG CYS A 13 2.390 -3.432 1.070 1.00 0.00 S ATOM 0 H CYS A 13 1.727 0.455 2.722 1.00 0.00 H new ATOM 0 HA CYS A 13 0.844 -0.862 0.455 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.069 -1.147 1.400 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.411 -1.835 2.871 1.00 0.00 H new ATOM 0 HG CYS A 13 1.848 -3.435 -0.111 1.00 0.00 H new ATOM 163 N ASN A 14 -1.139 -2.224 0.997 1.00 0.00 N ATOM 164 CA ASN A 14 -2.292 -3.078 1.261 1.00 0.00 C ATOM 165 C ASN A 14 -1.941 -4.547 1.047 1.00 0.00 C ATOM 166 O ASN A 14 -2.813 -5.370 0.772 1.00 0.00 O ATOM 167 CB ASN A 14 -3.461 -2.684 0.357 1.00 0.00 C ATOM 168 CG ASN A 14 -4.790 -3.201 0.872 1.00 0.00 C ATOM 169 OD1 ASN A 14 -4.859 -3.816 1.937 1.00 0.00 O ATOM 170 ND2 ASN A 14 -5.854 -2.955 0.117 1.00 0.00 N ATOM 0 H ASN A 14 -1.102 -1.845 0.051 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.584 -2.941 2.302 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.504 -1.598 0.276 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.288 -3.072 -0.647 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.775 -3.279 0.412 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.751 -2.442 -0.758 1.00 0.00 H new ATOM 177 N ALA A 15 -0.658 -4.868 1.175 1.00 0.00 N ATOM 178 CA ALA A 15 -0.192 -6.238 0.998 1.00 0.00 C ATOM 179 C ALA A 15 0.207 -6.859 2.333 1.00 0.00 C ATOM 180 O ALA A 15 -0.071 -8.030 2.592 1.00 0.00 O ATOM 181 CB ALA A 15 0.978 -6.276 0.026 1.00 0.00 C ATOM 0 H ALA A 15 0.077 -4.198 1.401 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.013 -6.824 0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.316 -7.305 -0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.662 -5.880 -0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.795 -5.670 0.417 1.00 0.00 H new ATOM 187 N CYS A 16 0.859 -6.067 3.177 1.00 0.00 N ATOM 188 CA CYS A 16 1.298 -6.538 4.485 1.00 0.00 C ATOM 189 C CYS A 16 0.824 -5.597 5.589 1.00 0.00 C ATOM 190 O CYS A 16 0.356 -6.038 6.637 1.00 0.00 O ATOM 191 CB CYS A 16 2.822 -6.660 4.522 1.00 0.00 C ATOM 192 SG CYS A 16 3.700 -5.088 4.241 1.00 0.00 S ATOM 0 H CYS A 16 1.095 -5.095 2.978 1.00 0.00 H new ATOM 0 HA CYS A 16 0.858 -7.521 4.656 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.120 -7.063 5.490 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.137 -7.380 3.767 1.00 0.00 H new ATOM 0 HG CYS A 16 3.251 -4.528 3.157 1.00 0.00 H new ATOM 197 N GLY A 17 0.951 -4.296 5.345 1.00 0.00 N ATOM 198 CA GLY A 17 0.532 -3.313 6.326 1.00 0.00 C ATOM 199 C GLY A 17 1.701 -2.557 6.926 1.00 0.00 C ATOM 200 O GLY A 17 1.968 -2.662 8.122 1.00 0.00 O ATOM 0 H GLY A 17 1.337 -3.906 4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.152 -2.605 5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.021 -3.812 7.122 1.00 0.00 H new ATOM 204 N GLU A 18 2.401 -1.795 6.091 1.00 0.00 N ATOM 205 CA GLU A 18 3.550 -1.021 6.546 1.00 0.00 C ATOM 206 C GLU A 18 3.581 0.351 5.879 1.00 0.00 C ATOM 207 O GLU A 18 3.333 0.476 4.680 1.00 0.00 O ATOM 208 CB GLU A 18 4.850 -1.773 6.251 1.00 0.00 C ATOM 209 CG GLU A 18 5.152 -2.880 7.246 1.00 0.00 C ATOM 210 CD GLU A 18 6.516 -3.505 7.028 1.00 0.00 C ATOM 211 OE1 GLU A 18 7.529 -2.813 7.262 1.00 0.00 O ATOM 212 OE2 GLU A 18 6.572 -4.685 6.623 1.00 0.00 O ATOM 0 H GLU A 18 2.193 -1.697 5.097 1.00 0.00 H new ATOM 0 HA GLU A 18 3.457 -0.880 7.623 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.793 -2.201 5.250 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.677 -1.063 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.098 -2.478 8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.386 -3.652 7.168 1.00 0.00 H new ATOM 219 N SER A 19 3.888 1.378 6.665 1.00 0.00 N ATOM 220 CA SER A 19 3.947 2.742 6.153 1.00 0.00 C ATOM 221 C SER A 19 5.267 2.994 5.430 1.00 0.00 C ATOM 222 O SER A 19 6.270 3.348 6.049 1.00 0.00 O ATOM 223 CB SER A 19 3.779 3.746 7.295 1.00 0.00 C ATOM 224 OG SER A 19 2.567 3.523 7.996 1.00 0.00 O ATOM 0 H SER A 19 4.100 1.291 7.659 1.00 0.00 H new ATOM 0 HA SER A 19 3.132 2.872 5.441 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.621 3.664 7.982 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.791 4.760 6.896 1.00 0.00 H new ATOM 0 HG SER A 19 2.484 4.176 8.722 1.00 0.00 H new ATOM 230 N VAL A 20 5.258 2.807 4.114 1.00 0.00 N ATOM 231 CA VAL A 20 6.452 3.015 3.304 1.00 0.00 C ATOM 232 C VAL A 20 6.500 4.433 2.748 1.00 0.00 C ATOM 233 O VAL A 20 5.464 5.064 2.536 1.00 0.00 O ATOM 234 CB VAL A 20 6.519 2.014 2.135 1.00 0.00 C ATOM 235 CG1 VAL A 20 7.815 2.186 1.358 1.00 0.00 C ATOM 236 CG2 VAL A 20 6.379 0.588 2.646 1.00 0.00 C ATOM 0 H VAL A 20 4.437 2.512 3.586 1.00 0.00 H new ATOM 0 HA VAL A 20 7.309 2.856 3.958 1.00 0.00 H new ATOM 0 HB VAL A 20 5.689 2.216 1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.844 1.470 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.868 3.199 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.663 2.012 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.429 -0.106 1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.187 0.371 3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.421 0.476 3.153 1.00 0.00 H new ATOM 246 N LYS A 21 7.709 4.931 2.512 1.00 0.00 N ATOM 247 CA LYS A 21 7.894 6.275 1.978 1.00 0.00 C ATOM 248 C LYS A 21 8.037 6.242 0.460 1.00 0.00 C ATOM 249 O LYS A 21 8.664 5.340 -0.096 1.00 0.00 O ATOM 250 CB LYS A 21 9.128 6.929 2.603 1.00 0.00 C ATOM 251 CG LYS A 21 9.097 6.960 4.122 1.00 0.00 C ATOM 252 CD LYS A 21 9.811 8.184 4.669 1.00 0.00 C ATOM 253 CE LYS A 21 11.283 7.900 4.930 1.00 0.00 C ATOM 254 NZ LYS A 21 12.051 9.149 5.189 1.00 0.00 N ATOM 0 H LYS A 21 8.577 4.423 2.683 1.00 0.00 H new ATOM 0 HA LYS A 21 7.012 6.864 2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.018 6.391 2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.217 7.949 2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.063 6.957 4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.566 6.058 4.515 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.718 9.008 3.961 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.331 8.503 5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.378 7.231 5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.711 7.382 4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.049 8.913 5.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.982 9.777 4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.659 9.631 6.023 1.00 0.00 H new ATOM 268 N LYS A 22 7.453 7.232 -0.206 1.00 0.00 N ATOM 269 CA LYS A 22 7.517 7.320 -1.660 1.00 0.00 C ATOM 270 C LYS A 22 8.941 7.091 -2.157 1.00 0.00 C ATOM 271 O LYS A 22 9.156 6.430 -3.173 1.00 0.00 O ATOM 272 CB LYS A 22 7.014 8.685 -2.133 1.00 0.00 C ATOM 273 CG LYS A 22 7.212 8.926 -3.619 1.00 0.00 C ATOM 274 CD LYS A 22 7.169 10.407 -3.955 1.00 0.00 C ATOM 275 CE LYS A 22 7.049 10.636 -5.454 1.00 0.00 C ATOM 276 NZ LYS A 22 8.376 10.590 -6.130 1.00 0.00 N ATOM 0 H LYS A 22 6.929 7.986 0.239 1.00 0.00 H new ATOM 0 HA LYS A 22 6.876 6.541 -2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.953 8.773 -1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.530 9.466 -1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.169 8.509 -3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.438 8.402 -4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.325 10.872 -3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.072 10.892 -3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.395 9.879 -5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.581 11.603 -5.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.245 10.360 -7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.842 11.516 -6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.969 9.862 -5.682 1.00 0.00 H new ATOM 290 N ILE A 23 9.910 7.641 -1.433 1.00 0.00 N ATOM 291 CA ILE A 23 11.314 7.494 -1.799 1.00 0.00 C ATOM 292 C ILE A 23 11.811 6.081 -1.515 1.00 0.00 C ATOM 293 O ILE A 23 12.674 5.563 -2.224 1.00 0.00 O ATOM 294 CB ILE A 23 12.201 8.500 -1.042 1.00 0.00 C ATOM 295 CG1 ILE A 23 12.134 8.240 0.464 1.00 0.00 C ATOM 296 CG2 ILE A 23 11.774 9.926 -1.358 1.00 0.00 C ATOM 297 CD1 ILE A 23 13.242 8.913 1.243 1.00 0.00 C ATOM 0 H ILE A 23 9.749 8.192 -0.590 1.00 0.00 H new ATOM 0 HA ILE A 23 11.384 7.693 -2.868 1.00 0.00 H new ATOM 0 HB ILE A 23 13.233 8.369 -1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.172 8.587 0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.177 7.165 0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.410 10.625 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.869 10.105 -2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.737 10.071 -1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 23 13.132 8.685 2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.207 8.548 0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 23 13.187 9.992 1.096 1.00 0.00 H new ATOM 309 N GLN A 24 11.260 5.463 -0.476 1.00 0.00 N ATOM 310 CA GLN A 24 11.647 4.108 -0.100 1.00 0.00 C ATOM 311 C GLN A 24 10.624 3.092 -0.597 1.00 0.00 C ATOM 312 O GLN A 24 10.255 2.164 0.123 1.00 0.00 O ATOM 313 CB GLN A 24 11.794 4.000 1.419 1.00 0.00 C ATOM 314 CG GLN A 24 12.826 4.955 1.999 1.00 0.00 C ATOM 315 CD GLN A 24 13.442 4.437 3.284 1.00 0.00 C ATOM 316 OE1 GLN A 24 13.043 3.393 3.801 1.00 0.00 O ATOM 317 NE2 GLN A 24 14.422 5.165 3.806 1.00 0.00 N ATOM 0 H GLN A 24 10.544 5.878 0.121 1.00 0.00 H new ATOM 0 HA GLN A 24 12.607 3.888 -0.568 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.828 4.196 1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.071 2.978 1.677 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.614 5.123 1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.356 5.920 2.189 1.00 0.00 H new ATOM 0 HE21 GLN A 24 14.721 6.024 3.344 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.876 4.865 4.669 1.00 0.00 H new ATOM 326 N VAL A 25 10.169 3.273 -1.832 1.00 0.00 N ATOM 327 CA VAL A 25 9.189 2.372 -2.426 1.00 0.00 C ATOM 328 C VAL A 25 9.866 1.154 -3.045 1.00 0.00 C ATOM 329 O VAL A 25 9.641 0.023 -2.618 1.00 0.00 O ATOM 330 CB VAL A 25 8.352 3.084 -3.505 1.00 0.00 C ATOM 331 CG1 VAL A 25 7.654 2.069 -4.397 1.00 0.00 C ATOM 332 CG2 VAL A 25 7.344 4.024 -2.863 1.00 0.00 C ATOM 0 H VAL A 25 10.464 4.036 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 25 8.529 2.048 -1.621 1.00 0.00 H new ATOM 0 HB VAL A 25 9.023 3.677 -4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.068 2.591 -5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.399 1.441 -4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.994 1.446 -3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.761 4.519 -3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.677 3.455 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.870 4.773 -2.272 1.00 0.00 H new ATOM 342 N GLU A 26 10.697 1.396 -4.055 1.00 0.00 N ATOM 343 CA GLU A 26 11.407 0.318 -4.733 1.00 0.00 C ATOM 344 C GLU A 26 11.886 -0.732 -3.734 1.00 0.00 C ATOM 345 O GLU A 26 11.603 -1.921 -3.882 1.00 0.00 O ATOM 346 CB GLU A 26 12.599 0.875 -5.514 1.00 0.00 C ATOM 347 CG GLU A 26 13.120 -0.069 -6.585 1.00 0.00 C ATOM 348 CD GLU A 26 12.048 -0.470 -7.580 1.00 0.00 C ATOM 349 OE1 GLU A 26 11.852 0.267 -8.569 1.00 0.00 O ATOM 350 OE2 GLU A 26 11.406 -1.520 -7.370 1.00 0.00 O ATOM 0 H GLU A 26 10.894 2.327 -4.421 1.00 0.00 H new ATOM 0 HA GLU A 26 10.715 -0.157 -5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.309 1.816 -5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.406 1.101 -4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.943 0.409 -7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.523 -0.964 -6.111 1.00 0.00 H new ATOM 357 N LYS A 27 12.613 -0.283 -2.716 1.00 0.00 N ATOM 358 CA LYS A 27 13.131 -1.181 -1.691 1.00 0.00 C ATOM 359 C LYS A 27 12.029 -2.088 -1.155 1.00 0.00 C ATOM 360 O LYS A 27 12.165 -3.312 -1.149 1.00 0.00 O ATOM 361 CB LYS A 27 13.748 -0.377 -0.544 1.00 0.00 C ATOM 362 CG LYS A 27 14.578 -1.218 0.411 1.00 0.00 C ATOM 363 CD LYS A 27 14.750 -0.529 1.754 1.00 0.00 C ATOM 364 CE LYS A 27 14.889 -1.538 2.884 1.00 0.00 C ATOM 365 NZ LYS A 27 13.568 -2.073 3.315 1.00 0.00 N ATOM 0 H LYS A 27 12.857 0.698 -2.579 1.00 0.00 H new ATOM 0 HA LYS A 27 13.901 -1.804 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.376 0.411 -0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.951 0.113 0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.098 -2.186 0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.557 -1.410 -0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.632 0.111 1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.893 0.117 1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.526 -2.361 2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.385 -1.067 3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.705 -2.757 4.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.969 -1.291 3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.106 -2.545 2.512 1.00 0.00 H new ATOM 379 N HIS A 28 10.935 -1.481 -0.705 1.00 0.00 N ATOM 380 CA HIS A 28 9.808 -2.235 -0.168 1.00 0.00 C ATOM 381 C HIS A 28 9.260 -3.207 -1.208 1.00 0.00 C ATOM 382 O HIS A 28 9.394 -4.423 -1.069 1.00 0.00 O ATOM 383 CB HIS A 28 8.702 -1.283 0.290 1.00 0.00 C ATOM 384 CG HIS A 28 7.569 -1.972 0.986 1.00 0.00 C ATOM 385 ND1 HIS A 28 7.584 -2.273 2.332 1.00 0.00 N ATOM 386 CD2 HIS A 28 6.381 -2.418 0.516 1.00 0.00 C ATOM 387 CE1 HIS A 28 6.455 -2.876 2.658 1.00 0.00 C ATOM 388 NE2 HIS A 28 5.707 -2.975 1.574 1.00 0.00 N ATOM 0 H HIS A 28 10.805 -0.469 -0.702 1.00 0.00 H new ATOM 0 HA HIS A 28 10.162 -2.808 0.689 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.130 -0.538 0.960 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.314 -0.747 -0.576 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.029 -2.349 -0.503 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.189 -3.228 3.644 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.779 -3.397 1.530 1.00 0.00 H new ATOM 396 N VAL A 29 8.640 -2.663 -2.252 1.00 0.00 N ATOM 397 CA VAL A 29 8.072 -3.482 -3.316 1.00 0.00 C ATOM 398 C VAL A 29 8.969 -4.675 -3.629 1.00 0.00 C ATOM 399 O VAL A 29 8.493 -5.801 -3.774 1.00 0.00 O ATOM 400 CB VAL A 29 7.858 -2.662 -4.602 1.00 0.00 C ATOM 401 CG1 VAL A 29 7.332 -3.549 -5.719 1.00 0.00 C ATOM 402 CG2 VAL A 29 6.912 -1.500 -4.341 1.00 0.00 C ATOM 0 H VAL A 29 8.519 -1.659 -2.383 1.00 0.00 H new ATOM 0 HA VAL A 29 7.107 -3.841 -2.959 1.00 0.00 H new ATOM 0 HB VAL A 29 8.819 -2.254 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.187 -2.952 -6.620 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.050 -4.343 -5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.381 -3.988 -5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.772 -0.931 -5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.950 -1.883 -4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.335 -0.851 -3.574 1.00 0.00 H new ATOM 412 N SER A 30 10.269 -4.419 -3.734 1.00 0.00 N ATOM 413 CA SER A 30 11.233 -5.472 -4.034 1.00 0.00 C ATOM 414 C SER A 30 10.962 -6.713 -3.190 1.00 0.00 C ATOM 415 O SER A 30 10.747 -7.802 -3.720 1.00 0.00 O ATOM 416 CB SER A 30 12.658 -4.973 -3.786 1.00 0.00 C ATOM 417 OG SER A 30 13.613 -5.952 -4.158 1.00 0.00 O ATOM 0 H SER A 30 10.679 -3.493 -3.616 1.00 0.00 H new ATOM 0 HA SER A 30 11.127 -5.739 -5.085 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.830 -4.058 -4.353 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.781 -4.723 -2.732 1.00 0.00 H new ATOM 0 HG SER A 30 14.516 -5.608 -3.992 1.00 0.00 H new ATOM 423 N ASN A 31 10.975 -6.540 -1.872 1.00 0.00 N ATOM 424 CA ASN A 31 10.732 -7.646 -0.953 1.00 0.00 C ATOM 425 C ASN A 31 9.255 -8.029 -0.942 1.00 0.00 C ATOM 426 O ASN A 31 8.908 -9.208 -1.012 1.00 0.00 O ATOM 427 CB ASN A 31 11.184 -7.271 0.460 1.00 0.00 C ATOM 428 CG ASN A 31 11.615 -8.479 1.269 1.00 0.00 C ATOM 429 OD1 ASN A 31 10.803 -9.350 1.585 1.00 0.00 O ATOM 430 ND2 ASN A 31 12.897 -8.537 1.608 1.00 0.00 N ATOM 0 H ASN A 31 11.151 -5.644 -1.417 1.00 0.00 H new ATOM 0 HA ASN A 31 11.309 -8.505 -1.296 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.012 -6.564 0.398 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.369 -6.763 0.976 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.245 -9.326 2.152 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.534 -7.792 1.324 1.00 0.00 H new ATOM 437 N CYS A 32 8.390 -7.024 -0.853 1.00 0.00 N ATOM 438 CA CYS A 32 6.950 -7.254 -0.832 1.00 0.00 C ATOM 439 C CYS A 32 6.417 -7.493 -2.242 1.00 0.00 C ATOM 440 O CYS A 32 6.179 -6.548 -2.995 1.00 0.00 O ATOM 441 CB CYS A 32 6.231 -6.061 -0.199 1.00 0.00 C ATOM 442 SG CYS A 32 4.671 -6.492 0.637 1.00 0.00 S ATOM 0 H CYS A 32 8.661 -6.042 -0.794 1.00 0.00 H new ATOM 0 HA CYS A 32 6.758 -8.145 -0.234 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.899 -5.589 0.522 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.024 -5.322 -0.973 1.00 0.00 H new ATOM 0 HG CYS A 32 3.946 -5.423 0.780 1.00 0.00 H new ATOM 447 N ARG A 33 6.233 -8.762 -2.592 1.00 0.00 N ATOM 448 CA ARG A 33 5.729 -9.125 -3.911 1.00 0.00 C ATOM 449 C ARG A 33 4.218 -8.929 -3.989 1.00 0.00 C ATOM 450 O ARG A 33 3.661 -8.748 -5.071 1.00 0.00 O ATOM 451 CB ARG A 33 6.083 -10.578 -4.233 1.00 0.00 C ATOM 452 CG ARG A 33 7.525 -10.771 -4.674 1.00 0.00 C ATOM 453 CD ARG A 33 7.668 -10.643 -6.182 1.00 0.00 C ATOM 454 NE ARG A 33 7.913 -9.263 -6.594 1.00 0.00 N ATOM 455 CZ ARG A 33 8.268 -8.916 -7.826 1.00 0.00 C ATOM 456 NH1 ARG A 33 8.418 -9.843 -8.762 1.00 0.00 N ATOM 457 NH2 ARG A 33 8.473 -7.639 -8.123 1.00 0.00 N ATOM 0 H ARG A 33 6.425 -9.556 -1.981 1.00 0.00 H new ATOM 0 HA ARG A 33 6.201 -8.472 -4.645 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.896 -11.192 -3.352 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.420 -10.939 -5.020 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.159 -10.032 -4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.876 -11.753 -4.356 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.489 -11.274 -6.523 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.762 -11.010 -6.664 1.00 0.00 H new ATOM 0 HE ARG A 33 7.806 -8.526 -5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.261 -10.825 -8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.691 -9.574 -9.707 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.358 -6.924 -7.405 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.746 -7.373 -9.069 1.00 0.00 H new ATOM 471 N ASN A 34 3.561 -8.967 -2.834 1.00 0.00 N ATOM 472 CA ASN A 34 2.114 -8.795 -2.772 1.00 0.00 C ATOM 473 C ASN A 34 1.733 -7.329 -2.954 1.00 0.00 C ATOM 474 O ASN A 34 0.598 -7.012 -3.314 1.00 0.00 O ATOM 475 CB ASN A 34 1.575 -9.311 -1.436 1.00 0.00 C ATOM 476 CG ASN A 34 1.425 -10.820 -1.419 1.00 0.00 C ATOM 477 OD1 ASN A 34 0.315 -11.343 -1.315 1.00 0.00 O ATOM 478 ND2 ASN A 34 2.544 -11.528 -1.519 1.00 0.00 N ATOM 0 H ASN A 34 4.007 -9.115 -1.929 1.00 0.00 H new ATOM 0 HA ASN A 34 1.669 -9.372 -3.583 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.247 -9.006 -0.634 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.608 -8.850 -1.235 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.505 -12.547 -1.511 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.442 -11.053 -1.603 1.00 0.00 H new ATOM 485 N CYS A 35 2.687 -6.439 -2.704 1.00 0.00 N ATOM 486 CA CYS A 35 2.452 -5.006 -2.840 1.00 0.00 C ATOM 487 C CYS A 35 2.214 -4.631 -4.299 1.00 0.00 C ATOM 488 O CYS A 35 3.153 -4.553 -5.090 1.00 0.00 O ATOM 489 CB CYS A 35 3.639 -4.218 -2.284 1.00 0.00 C ATOM 490 SG CYS A 35 3.578 -2.446 -2.636 1.00 0.00 S ATOM 0 H CYS A 35 3.631 -6.685 -2.406 1.00 0.00 H new ATOM 0 HA CYS A 35 1.559 -4.753 -2.269 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.683 -4.362 -1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.560 -4.628 -2.698 1.00 0.00 H new ATOM 0 HG CYS A 35 4.623 -1.866 -2.124 1.00 0.00 H new ATOM 496 N GLU A 36 0.952 -4.400 -4.647 1.00 0.00 N ATOM 497 CA GLU A 36 0.591 -4.035 -6.012 1.00 0.00 C ATOM 498 C GLU A 36 -0.095 -2.673 -6.047 1.00 0.00 C ATOM 499 O GLU A 36 0.130 -1.877 -6.960 1.00 0.00 O ATOM 500 CB GLU A 36 -0.326 -5.097 -6.622 1.00 0.00 C ATOM 501 CG GLU A 36 0.422 -6.265 -7.241 1.00 0.00 C ATOM 502 CD GLU A 36 -0.441 -7.074 -8.189 1.00 0.00 C ATOM 503 OE1 GLU A 36 -1.624 -7.306 -7.864 1.00 0.00 O ATOM 504 OE2 GLU A 36 0.067 -7.476 -9.257 1.00 0.00 O ATOM 0 H GLU A 36 0.163 -4.459 -4.003 1.00 0.00 H new ATOM 0 HA GLU A 36 1.507 -3.976 -6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.995 -5.474 -5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.950 -4.631 -7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.293 -5.890 -7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.793 -6.915 -6.449 1.00 0.00 H new ATOM 511 N CYS A 37 -0.932 -2.413 -5.049 1.00 0.00 N ATOM 512 CA CYS A 37 -1.653 -1.148 -4.966 1.00 0.00 C ATOM 513 C CYS A 37 -1.157 -0.315 -3.788 1.00 0.00 C ATOM 514 O CYS A 37 -0.775 -0.856 -2.749 1.00 0.00 O ATOM 515 CB CYS A 37 -3.155 -1.401 -4.831 1.00 0.00 C ATOM 516 SG CYS A 37 -3.616 -2.338 -3.355 1.00 0.00 S ATOM 0 H CYS A 37 -1.128 -3.061 -4.286 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.467 -0.591 -5.885 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.674 -0.443 -4.817 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.503 -1.939 -5.713 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.906 -2.499 -3.328 1.00 0.00 H new ATOM 522 N LEU A 38 -1.164 1.002 -3.957 1.00 0.00 N ATOM 523 CA LEU A 38 -0.713 1.910 -2.908 1.00 0.00 C ATOM 524 C LEU A 38 -1.746 3.003 -2.653 1.00 0.00 C ATOM 525 O LEU A 38 -2.298 3.580 -3.590 1.00 0.00 O ATOM 526 CB LEU A 38 0.628 2.539 -3.292 1.00 0.00 C ATOM 527 CG LEU A 38 1.834 1.599 -3.295 1.00 0.00 C ATOM 528 CD1 LEU A 38 3.088 2.341 -3.730 1.00 0.00 C ATOM 529 CD2 LEU A 38 2.029 0.978 -1.919 1.00 0.00 C ATOM 0 H LEU A 38 -1.477 1.465 -4.810 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.587 1.333 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.530 2.975 -4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.833 3.358 -2.603 1.00 0.00 H new ATOM 0 HG LEU A 38 1.645 0.798 -4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.936 1.656 -3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.946 2.737 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.282 3.163 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.892 0.312 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.196 1.766 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.139 0.411 -1.646 1.00 0.00 H new ATOM 541 N SER A 39 -2.000 3.284 -1.379 1.00 0.00 N ATOM 542 CA SER A 39 -2.968 4.307 -1.000 1.00 0.00 C ATOM 543 C SER A 39 -2.305 5.400 -0.167 1.00 0.00 C ATOM 544 O SER A 39 -1.870 5.160 0.960 1.00 0.00 O ATOM 545 CB SER A 39 -4.123 3.681 -0.216 1.00 0.00 C ATOM 546 OG SER A 39 -3.686 3.211 1.047 1.00 0.00 O ATOM 0 H SER A 39 -1.549 2.818 -0.592 1.00 0.00 H new ATOM 0 HA SER A 39 -3.360 4.757 -1.912 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.915 4.417 -0.079 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.549 2.856 -0.787 1.00 0.00 H new ATOM 0 HG SER A 39 -2.896 3.718 1.329 1.00 0.00 H new ATOM 552 N CYS A 40 -2.232 6.602 -0.729 1.00 0.00 N ATOM 553 CA CYS A 40 -1.622 7.733 -0.040 1.00 0.00 C ATOM 554 C CYS A 40 -2.317 7.997 1.292 1.00 0.00 C ATOM 555 O CYS A 40 -3.534 7.849 1.409 1.00 0.00 O ATOM 556 CB CYS A 40 -1.685 8.985 -0.918 1.00 0.00 C ATOM 557 SG CYS A 40 -0.885 10.447 -0.184 1.00 0.00 S ATOM 0 H CYS A 40 -2.588 6.818 -1.660 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.579 7.487 0.157 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.213 8.768 -1.876 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.729 9.220 -1.123 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.523 11.264 -1.128 1.00 0.00 H new ATOM 562 N ILE A 41 -1.536 8.389 2.293 1.00 0.00 N ATOM 563 CA ILE A 41 -2.076 8.675 3.616 1.00 0.00 C ATOM 564 C ILE A 41 -2.101 10.175 3.887 1.00 0.00 C ATOM 565 O ILE A 41 -2.760 10.637 4.819 1.00 0.00 O ATOM 566 CB ILE A 41 -1.259 7.978 4.721 1.00 0.00 C ATOM 567 CG1 ILE A 41 0.226 8.319 4.578 1.00 0.00 C ATOM 568 CG2 ILE A 41 -1.471 6.473 4.666 1.00 0.00 C ATOM 569 CD1 ILE A 41 1.059 7.898 5.768 1.00 0.00 C ATOM 0 H ILE A 41 -0.527 8.516 2.213 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.095 8.289 3.631 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.603 8.338 5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.617 7.837 3.682 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.331 9.394 4.433 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.888 5.994 5.452 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.528 6.249 4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.150 6.096 3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.101 8.171 5.598 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.694 8.400 6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.984 6.819 5.901 1.00 0.00 H new ATOM 581 N ASP A 42 -1.381 10.931 3.066 1.00 0.00 N ATOM 582 CA ASP A 42 -1.322 12.380 3.215 1.00 0.00 C ATOM 583 C ASP A 42 -2.634 13.025 2.778 1.00 0.00 C ATOM 584 O ASP A 42 -3.145 13.929 3.440 1.00 0.00 O ATOM 585 CB ASP A 42 -0.162 12.952 2.399 1.00 0.00 C ATOM 586 CG ASP A 42 1.150 12.924 3.159 1.00 0.00 C ATOM 587 OD1 ASP A 42 1.303 13.723 4.105 1.00 0.00 O ATOM 588 OD2 ASP A 42 2.023 12.103 2.806 1.00 0.00 O ATOM 0 H ASP A 42 -0.830 10.564 2.290 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.160 12.605 4.269 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.056 12.383 1.476 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.393 13.979 2.116 1.00 0.00 H new ATOM 593 N CYS A 43 -3.174 12.556 1.658 1.00 0.00 N ATOM 594 CA CYS A 43 -4.425 13.086 1.131 1.00 0.00 C ATOM 595 C CYS A 43 -5.446 11.971 0.927 1.00 0.00 C ATOM 596 O CYS A 43 -6.623 12.126 1.251 1.00 0.00 O ATOM 597 CB CYS A 43 -4.177 13.814 -0.192 1.00 0.00 C ATOM 598 SG CYS A 43 -3.672 12.720 -1.559 1.00 0.00 S ATOM 0 H CYS A 43 -2.764 11.809 1.098 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.826 13.792 1.858 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.086 14.342 -0.480 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.405 14.568 -0.040 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.712 11.940 -1.159 1.00 0.00 H new ATOM 603 N GLY A 44 -4.986 10.846 0.388 1.00 0.00 N ATOM 604 CA GLY A 44 -5.872 9.721 0.151 1.00 0.00 C ATOM 605 C GLY A 44 -6.192 9.535 -1.319 1.00 0.00 C ATOM 606 O GLY A 44 -7.033 10.243 -1.874 1.00 0.00 O ATOM 0 H GLY A 44 -4.016 10.694 0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.411 8.812 0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.799 9.869 0.706 1.00 0.00 H new ATOM 610 N LYS A 45 -5.518 8.582 -1.954 1.00 0.00 N ATOM 611 CA LYS A 45 -5.734 8.304 -3.369 1.00 0.00 C ATOM 612 C LYS A 45 -5.319 6.877 -3.713 1.00 0.00 C ATOM 613 O LYS A 45 -4.446 6.301 -3.064 1.00 0.00 O ATOM 614 CB LYS A 45 -4.949 9.296 -4.230 1.00 0.00 C ATOM 615 CG LYS A 45 -5.595 9.578 -5.575 1.00 0.00 C ATOM 616 CD LYS A 45 -4.810 10.612 -6.365 1.00 0.00 C ATOM 617 CE LYS A 45 -4.949 12.000 -5.759 1.00 0.00 C ATOM 618 NZ LYS A 45 -4.582 13.069 -6.730 1.00 0.00 N ATOM 0 H LYS A 45 -4.817 7.989 -1.510 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.798 8.414 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.843 10.233 -3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.944 8.906 -4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.661 8.654 -6.149 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.615 9.932 -5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.758 10.329 -6.391 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.162 10.627 -7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.976 12.149 -5.425 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.313 12.077 -4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.690 14.000 -6.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.594 12.942 -7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.205 13.013 -7.561 1.00 0.00 H new ATOM 632 N ASP A 46 -5.949 6.314 -4.738 1.00 0.00 N ATOM 633 CA ASP A 46 -5.644 4.955 -5.170 1.00 0.00 C ATOM 634 C ASP A 46 -4.661 4.964 -6.336 1.00 0.00 C ATOM 635 O ASP A 46 -4.830 5.712 -7.299 1.00 0.00 O ATOM 636 CB ASP A 46 -6.926 4.225 -5.573 1.00 0.00 C ATOM 637 CG ASP A 46 -8.058 4.458 -4.592 1.00 0.00 C ATOM 638 OD1 ASP A 46 -7.771 4.678 -3.396 1.00 0.00 O ATOM 639 OD2 ASP A 46 -9.230 4.422 -5.019 1.00 0.00 O ATOM 0 H ASP A 46 -6.674 6.778 -5.285 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.184 4.429 -4.334 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.234 4.558 -6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.725 3.156 -5.644 1.00 0.00 H new ATOM 644 N PHE A 47 -3.632 4.127 -6.242 1.00 0.00 N ATOM 645 CA PHE A 47 -2.620 4.040 -7.288 1.00 0.00 C ATOM 646 C PHE A 47 -2.444 2.598 -7.756 1.00 0.00 C ATOM 647 O PHE A 47 -2.340 1.680 -6.943 1.00 0.00 O ATOM 648 CB PHE A 47 -1.285 4.591 -6.783 1.00 0.00 C ATOM 649 CG PHE A 47 -1.321 6.061 -6.478 1.00 0.00 C ATOM 650 CD1 PHE A 47 -1.731 6.514 -5.234 1.00 0.00 C ATOM 651 CD2 PHE A 47 -0.943 6.991 -7.433 1.00 0.00 C ATOM 652 CE1 PHE A 47 -1.766 7.866 -4.950 1.00 0.00 C ATOM 653 CE2 PHE A 47 -0.974 8.344 -7.155 1.00 0.00 C ATOM 654 CZ PHE A 47 -1.386 8.782 -5.912 1.00 0.00 C ATOM 0 H PHE A 47 -3.478 3.500 -5.452 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.956 4.640 -8.134 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.994 4.048 -5.884 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.516 4.402 -7.532 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.027 5.802 -4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.620 6.654 -8.407 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.090 8.206 -3.977 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.676 9.058 -7.909 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.411 9.839 -5.692 1.00 0.00 H new ATOM 664 N TRP A 48 -2.412 2.409 -9.070 1.00 0.00 N ATOM 665 CA TRP A 48 -2.249 1.079 -9.646 1.00 0.00 C ATOM 666 C TRP A 48 -1.102 1.058 -10.651 1.00 0.00 C ATOM 667 O TRP A 48 -1.081 1.841 -11.599 1.00 0.00 O ATOM 668 CB TRP A 48 -3.545 0.631 -10.323 1.00 0.00 C ATOM 669 CG TRP A 48 -4.727 0.630 -9.401 1.00 0.00 C ATOM 670 CD1 TRP A 48 -5.618 1.648 -9.210 1.00 0.00 C ATOM 671 CD2 TRP A 48 -5.145 -0.438 -8.544 1.00 0.00 C ATOM 672 NE1 TRP A 48 -6.564 1.276 -8.285 1.00 0.00 N ATOM 673 CE2 TRP A 48 -6.297 0.001 -7.862 1.00 0.00 C ATOM 674 CE3 TRP A 48 -4.659 -1.722 -8.287 1.00 0.00 C ATOM 675 CZ2 TRP A 48 -6.967 -0.800 -6.942 1.00 0.00 C ATOM 676 CZ3 TRP A 48 -5.325 -2.516 -7.373 1.00 0.00 C ATOM 677 CH2 TRP A 48 -6.469 -2.053 -6.710 1.00 0.00 C ATOM 0 H TRP A 48 -2.497 3.159 -9.756 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.012 0.387 -8.838 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.752 1.289 -11.167 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.408 -0.372 -10.727 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.584 2.604 -9.712 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.340 1.856 -7.965 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.778 -2.088 -8.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.849 -0.445 -6.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.957 -3.510 -7.166 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -6.968 -2.698 -6.002 1.00 0.00 H new ATOM 688 N GLY A 49 -0.150 0.155 -10.438 1.00 0.00 N ATOM 689 CA GLY A 49 0.986 0.049 -11.334 1.00 0.00 C ATOM 690 C GLY A 49 2.144 0.932 -10.910 1.00 0.00 C ATOM 691 O GLY A 49 2.649 0.809 -9.794 1.00 0.00 O ATOM 0 H GLY A 49 -0.145 -0.505 -9.661 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.319 -0.988 -11.372 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.676 0.322 -12.343 1.00 0.00 H new ATOM 695 N ASP A 50 2.565 1.822 -11.801 1.00 0.00 N ATOM 696 CA ASP A 50 3.671 2.728 -11.513 1.00 0.00 C ATOM 697 C ASP A 50 3.237 4.182 -11.671 1.00 0.00 C ATOM 698 O ASP A 50 3.942 4.988 -12.278 1.00 0.00 O ATOM 699 CB ASP A 50 4.854 2.432 -12.437 1.00 0.00 C ATOM 700 CG ASP A 50 5.506 1.098 -12.133 1.00 0.00 C ATOM 701 OD1 ASP A 50 4.793 0.072 -12.145 1.00 0.00 O ATOM 702 OD2 ASP A 50 6.729 1.079 -11.885 1.00 0.00 O ATOM 0 H ASP A 50 2.157 1.936 -12.729 1.00 0.00 H new ATOM 0 HA ASP A 50 3.979 2.570 -10.479 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.513 2.439 -13.472 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.595 3.226 -12.340 1.00 0.00 H new ATOM 707 N ASP A 51 2.072 4.509 -11.122 1.00 0.00 N ATOM 708 CA ASP A 51 1.544 5.866 -11.202 1.00 0.00 C ATOM 709 C ASP A 51 1.951 6.680 -9.978 1.00 0.00 C ATOM 710 O ASP A 51 2.260 7.867 -10.085 1.00 0.00 O ATOM 711 CB ASP A 51 0.020 5.836 -11.326 1.00 0.00 C ATOM 712 CG ASP A 51 -0.636 5.046 -10.211 1.00 0.00 C ATOM 713 OD1 ASP A 51 0.014 4.123 -9.675 1.00 0.00 O ATOM 714 OD2 ASP A 51 -1.799 5.350 -9.873 1.00 0.00 O ATOM 0 H ASP A 51 1.476 3.853 -10.617 1.00 0.00 H new ATOM 0 HA ASP A 51 1.964 6.342 -12.088 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.362 6.857 -11.318 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.255 5.400 -12.287 1.00 0.00 H new ATOM 719 N TYR A 52 1.949 6.035 -8.817 1.00 0.00 N ATOM 720 CA TYR A 52 2.314 6.700 -7.572 1.00 0.00 C ATOM 721 C TYR A 52 3.599 7.505 -7.742 1.00 0.00 C ATOM 722 O TYR A 52 3.702 8.640 -7.275 1.00 0.00 O ATOM 723 CB TYR A 52 2.487 5.673 -6.452 1.00 0.00 C ATOM 724 CG TYR A 52 3.638 4.719 -6.678 1.00 0.00 C ATOM 725 CD1 TYR A 52 4.936 5.069 -6.328 1.00 0.00 C ATOM 726 CD2 TYR A 52 3.426 3.466 -7.240 1.00 0.00 C ATOM 727 CE1 TYR A 52 5.990 4.200 -6.534 1.00 0.00 C ATOM 728 CE2 TYR A 52 4.474 2.590 -7.448 1.00 0.00 C ATOM 729 CZ TYR A 52 5.754 2.962 -7.094 1.00 0.00 C ATOM 730 OH TYR A 52 6.802 2.093 -7.299 1.00 0.00 O ATOM 0 H TYR A 52 1.699 5.052 -8.712 1.00 0.00 H new ATOM 0 HA TYR A 52 1.509 7.385 -7.306 1.00 0.00 H new ATOM 0 HB2 TYR A 52 2.641 6.198 -5.509 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.565 5.100 -6.351 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.124 6.037 -5.887 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.425 3.172 -7.519 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.993 4.489 -6.258 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.292 1.619 -7.885 1.00 0.00 H new ATOM 0 HH TYR A 52 6.466 1.264 -7.700 1.00 0.00 H new ATOM 740 N LYS A 53 4.578 6.910 -8.415 1.00 0.00 N ATOM 741 CA LYS A 53 5.857 7.569 -8.650 1.00 0.00 C ATOM 742 C LYS A 53 5.656 9.044 -8.984 1.00 0.00 C ATOM 743 O LYS A 53 6.395 9.905 -8.508 1.00 0.00 O ATOM 744 CB LYS A 53 6.610 6.876 -9.788 1.00 0.00 C ATOM 745 CG LYS A 53 6.870 5.401 -9.535 1.00 0.00 C ATOM 746 CD LYS A 53 8.103 4.916 -10.279 1.00 0.00 C ATOM 747 CE LYS A 53 9.382 5.311 -9.557 1.00 0.00 C ATOM 748 NZ LYS A 53 9.777 6.715 -9.856 1.00 0.00 N ATOM 0 H LYS A 53 4.510 5.971 -8.808 1.00 0.00 H new ATOM 0 HA LYS A 53 6.447 7.498 -7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.037 6.983 -10.709 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.562 7.383 -9.944 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.999 5.232 -8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.003 4.819 -9.848 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.063 3.832 -10.383 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.109 5.333 -11.286 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.243 5.194 -8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.187 4.637 -9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.814 6.781 -9.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.368 7.004 -10.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.426 7.342 -9.104 1.00 0.00 H new ATOM 762 N SER A 54 4.649 9.328 -9.805 1.00 0.00 N ATOM 763 CA SER A 54 4.352 10.699 -10.204 1.00 0.00 C ATOM 764 C SER A 54 3.474 11.389 -9.165 1.00 0.00 C ATOM 765 O SER A 54 2.608 12.196 -9.504 1.00 0.00 O ATOM 766 CB SER A 54 3.658 10.716 -11.567 1.00 0.00 C ATOM 767 OG SER A 54 4.604 10.709 -12.622 1.00 0.00 O ATOM 0 H SER A 54 4.026 8.627 -10.206 1.00 0.00 H new ATOM 0 HA SER A 54 5.294 11.243 -10.277 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.003 9.849 -11.656 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.027 11.601 -11.646 1.00 0.00 H new ATOM 0 HG SER A 54 4.135 10.718 -13.482 1.00 0.00 H new ATOM 773 N HIS A 55 3.704 11.065 -7.896 1.00 0.00 N ATOM 774 CA HIS A 55 2.935 11.654 -6.805 1.00 0.00 C ATOM 775 C HIS A 55 3.856 12.135 -5.688 1.00 0.00 C ATOM 776 O HIS A 55 4.292 11.348 -4.848 1.00 0.00 O ATOM 777 CB HIS A 55 1.932 10.640 -6.255 1.00 0.00 C ATOM 778 CG HIS A 55 0.925 11.239 -5.322 1.00 0.00 C ATOM 779 ND1 HIS A 55 0.240 12.403 -5.601 1.00 0.00 N ATOM 780 CD2 HIS A 55 0.487 10.828 -4.109 1.00 0.00 C ATOM 781 CE1 HIS A 55 -0.574 12.683 -4.599 1.00 0.00 C ATOM 782 NE2 HIS A 55 -0.444 11.742 -3.681 1.00 0.00 N ATOM 0 H HIS A 55 4.416 10.398 -7.598 1.00 0.00 H new ATOM 0 HA HIS A 55 2.392 12.513 -7.199 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.409 10.170 -7.088 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.474 9.851 -5.733 1.00 0.00 H new ATOM 0 HD1 HIS A 55 0.345 12.961 -6.449 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.810 9.945 -3.577 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.234 13.536 -4.540 1.00 0.00 H new ATOM 790 N VAL A 56 4.150 13.431 -5.686 1.00 0.00 N ATOM 791 CA VAL A 56 5.020 14.016 -4.673 1.00 0.00 C ATOM 792 C VAL A 56 4.337 15.186 -3.972 1.00 0.00 C ATOM 793 O VAL A 56 4.680 15.533 -2.841 1.00 0.00 O ATOM 794 CB VAL A 56 6.347 14.502 -5.284 1.00 0.00 C ATOM 795 CG1 VAL A 56 6.086 15.486 -6.415 1.00 0.00 C ATOM 796 CG2 VAL A 56 7.228 15.129 -4.214 1.00 0.00 C ATOM 0 H VAL A 56 3.798 14.096 -6.375 1.00 0.00 H new ATOM 0 HA VAL A 56 5.230 13.232 -3.946 1.00 0.00 H new ATOM 0 HB VAL A 56 6.873 13.641 -5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.036 15.818 -6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.497 14.999 -7.192 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.539 16.346 -6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.162 15.467 -4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.711 15.979 -3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.444 14.391 -3.442 1.00 0.00 H new ATOM 806 N LYS A 57 3.368 15.791 -4.650 1.00 0.00 N ATOM 807 CA LYS A 57 2.635 16.921 -4.094 1.00 0.00 C ATOM 808 C LYS A 57 1.131 16.671 -4.143 1.00 0.00 C ATOM 809 O LYS A 57 0.542 16.571 -5.220 1.00 0.00 O ATOM 810 CB LYS A 57 2.974 18.202 -4.859 1.00 0.00 C ATOM 811 CG LYS A 57 2.780 19.468 -4.042 1.00 0.00 C ATOM 812 CD LYS A 57 3.614 20.616 -4.585 1.00 0.00 C ATOM 813 CE LYS A 57 5.035 20.577 -4.044 1.00 0.00 C ATOM 814 NZ LYS A 57 5.082 20.882 -2.588 1.00 0.00 N ATOM 0 H LYS A 57 3.072 15.517 -5.587 1.00 0.00 H new ATOM 0 HA LYS A 57 2.933 17.037 -3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.010 18.151 -5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.352 18.257 -5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.727 19.748 -4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.053 19.278 -3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.637 20.568 -5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.148 21.564 -4.318 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.465 19.591 -4.223 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.650 21.296 -4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.035 21.211 -2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.389 21.625 -2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.855 20.024 -2.046 1.00 0.00 H new ATOM 828 N CYS A 58 0.514 16.571 -2.970 1.00 0.00 N ATOM 829 CA CYS A 58 -0.922 16.334 -2.878 1.00 0.00 C ATOM 830 C CYS A 58 -1.687 17.652 -2.805 1.00 0.00 C ATOM 831 O CYS A 58 -2.724 17.816 -3.450 1.00 0.00 O ATOM 832 CB CYS A 58 -1.241 15.477 -1.651 1.00 0.00 C ATOM 833 SG CYS A 58 -0.025 14.160 -1.328 1.00 0.00 S ATOM 0 H CYS A 58 0.986 16.650 -2.070 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.236 15.802 -3.776 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.302 16.123 -0.775 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.224 15.025 -1.782 1.00 0.00 H new ATOM 0 HG CYS A 58 -0.282 13.136 -2.087 1.00 0.00 H new