USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=18 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 42:sc= -0.665 USER MOD Set 1.2: A 43 CYS SG : rot -49:sc= -0.136 USER MOD Set 1.3: A 55 HIS : no HD1:sc= -2.48 K(o=-2.8,f=-3.4) USER MOD Set 1.4: A 58 CYS SG : rot 137:sc= 0.509 USER MOD Set 2.1: A 14 ASN : amide:sc=-0.00255 X(o=-0.0025,f=0.3) USER MOD Set 2.2: A 39 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 13 CYS SG : rot 161:sc= -1.76! USER MOD Set 3.2: A 16 CYS SG : rot -47:sc= -0.451 USER MOD Set 3.3: A 28 HIS : no HE2:sc= -2.9! C(o=-13!,f=-19!) USER MOD Set 3.4: A 32 CYS SG : rot 138:sc= -1.34 USER MOD Set 3.5: A 34 ASN : amide:sc= -6.29! C(o=-13!,f=-17!) USER MOD Single : A 8 MET CE :methyl 147:sc= -0.0875 (180deg=-0.365) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0485 USER MOD Single : A 19 SER OG : rot 39:sc= 1.04 USER MOD Single : A 21 LYS NZ :NH3+ -129:sc= 0.0333 (180deg=-0.0515) USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= 0.0622 (180deg=0.0569) USER MOD Single : A 24 GLN : amide:sc= -0.0893 K(o=-0.089,f=-1.3) 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= -0.0501 K(o=-0.05,f=-0.73) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.53 USER MOD Single : A 37 CYS SG : rot 125:sc= 1.26 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 7.453 14.300 4.079 1.00 0.00 N ATOM 67 CA MET A 8 7.537 13.495 2.867 1.00 0.00 C ATOM 68 C MET A 8 6.222 12.765 2.606 1.00 0.00 C ATOM 69 O MET A 8 5.387 12.633 3.500 1.00 0.00 O ATOM 70 CB MET A 8 8.680 12.484 2.978 1.00 0.00 C ATOM 71 CG MET A 8 8.985 11.764 1.675 1.00 0.00 C ATOM 72 SD MET A 8 9.457 12.894 0.351 1.00 0.00 S ATOM 73 CE MET A 8 10.896 12.058 -0.310 1.00 0.00 C ATOM 0 HA MET A 8 7.733 14.165 2.030 1.00 0.00 H new ATOM 0 HB2 MET A 8 9.578 13.000 3.317 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.429 11.747 3.740 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.790 11.048 1.840 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.109 11.194 1.366 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.958 12.234 -1.384 1.00 0.00 H new ATOM 0 HE2 MET A 8 11.794 12.443 0.173 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.813 10.988 -0.122 1.00 0.00 H new ATOM 83 N VAL A 9 6.046 12.295 1.376 1.00 0.00 N ATOM 84 CA VAL A 9 4.833 11.578 0.998 1.00 0.00 C ATOM 85 C VAL A 9 4.920 10.107 1.388 1.00 0.00 C ATOM 86 O VAL A 9 5.806 9.384 0.933 1.00 0.00 O ATOM 87 CB VAL A 9 4.569 11.681 -0.516 1.00 0.00 C ATOM 88 CG1 VAL A 9 3.322 10.897 -0.895 1.00 0.00 C ATOM 89 CG2 VAL A 9 4.441 13.138 -0.936 1.00 0.00 C ATOM 0 H VAL A 9 6.727 12.397 0.624 1.00 0.00 H new ATOM 0 HA VAL A 9 4.008 12.046 1.536 1.00 0.00 H new ATOM 0 HB VAL A 9 5.417 11.247 -1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.151 10.981 -1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.457 9.848 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.463 11.299 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.255 13.192 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.612 13.600 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.365 13.667 -0.701 1.00 0.00 H new ATOM 99 N PHE A 10 3.994 9.670 2.235 1.00 0.00 N ATOM 100 CA PHE A 10 3.965 8.284 2.688 1.00 0.00 C ATOM 101 C PHE A 10 2.890 7.492 1.949 1.00 0.00 C ATOM 102 O PHE A 10 1.952 8.066 1.394 1.00 0.00 O ATOM 103 CB PHE A 10 3.714 8.223 4.196 1.00 0.00 C ATOM 104 CG PHE A 10 4.941 8.492 5.020 1.00 0.00 C ATOM 105 CD1 PHE A 10 5.627 9.689 4.894 1.00 0.00 C ATOM 106 CD2 PHE A 10 5.408 7.547 5.919 1.00 0.00 C ATOM 107 CE1 PHE A 10 6.757 9.939 5.650 1.00 0.00 C ATOM 108 CE2 PHE A 10 6.536 7.792 6.679 1.00 0.00 C ATOM 109 CZ PHE A 10 7.212 8.989 6.544 1.00 0.00 C ATOM 0 H PHE A 10 3.254 10.256 2.622 1.00 0.00 H new ATOM 0 HA PHE A 10 4.935 7.837 2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.944 8.949 4.458 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.323 7.238 4.452 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.275 10.435 4.197 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.885 6.608 6.027 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.283 10.876 5.542 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.889 7.048 7.378 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.094 9.182 7.136 1.00 0.00 H new ATOM 119 N PHE A 11 3.033 6.171 1.947 1.00 0.00 N ATOM 120 CA PHE A 11 2.076 5.300 1.275 1.00 0.00 C ATOM 121 C PHE A 11 1.766 4.073 2.128 1.00 0.00 C ATOM 122 O PHE A 11 2.493 3.757 3.071 1.00 0.00 O ATOM 123 CB PHE A 11 2.619 4.864 -0.087 1.00 0.00 C ATOM 124 CG PHE A 11 2.707 5.984 -1.084 1.00 0.00 C ATOM 125 CD1 PHE A 11 1.592 6.375 -1.807 1.00 0.00 C ATOM 126 CD2 PHE A 11 3.905 6.646 -1.298 1.00 0.00 C ATOM 127 CE1 PHE A 11 1.670 7.405 -2.725 1.00 0.00 C ATOM 128 CE2 PHE A 11 3.990 7.677 -2.215 1.00 0.00 C ATOM 129 CZ PHE A 11 2.870 8.058 -2.928 1.00 0.00 C ATOM 0 H PHE A 11 3.802 5.680 2.403 1.00 0.00 H new ATOM 0 HA PHE A 11 1.153 5.861 1.127 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.610 4.430 0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.979 4.079 -0.490 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.651 5.869 -1.651 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.783 6.353 -0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.793 7.699 -3.283 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.930 8.184 -2.374 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.933 8.865 -3.643 1.00 0.00 H new ATOM 139 N THR A 12 0.681 3.384 1.791 1.00 0.00 N ATOM 140 CA THR A 12 0.272 2.193 2.525 1.00 0.00 C ATOM 141 C THR A 12 0.215 0.975 1.610 1.00 0.00 C ATOM 142 O THR A 12 -0.647 0.882 0.736 1.00 0.00 O ATOM 143 CB THR A 12 -1.104 2.387 3.189 1.00 0.00 C ATOM 144 OG1 THR A 12 -1.122 3.611 3.931 1.00 0.00 O ATOM 145 CG2 THR A 12 -1.427 1.223 4.114 1.00 0.00 C ATOM 0 H THR A 12 0.069 3.631 1.013 1.00 0.00 H new ATOM 0 HA THR A 12 1.021 2.027 3.300 1.00 0.00 H new ATOM 0 HB THR A 12 -1.859 2.428 2.404 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.001 3.728 4.349 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.403 1.382 4.572 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.442 0.296 3.541 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.668 1.156 4.893 1.00 0.00 H new ATOM 153 N CYS A 13 1.139 0.042 1.816 1.00 0.00 N ATOM 154 CA CYS A 13 1.194 -1.172 1.010 1.00 0.00 C ATOM 155 C CYS A 13 -0.068 -2.008 1.199 1.00 0.00 C ATOM 156 O CYS A 13 -0.324 -2.528 2.285 1.00 0.00 O ATOM 157 CB CYS A 13 2.427 -1.998 1.379 1.00 0.00 C ATOM 158 SG CYS A 13 2.626 -3.518 0.394 1.00 0.00 S ATOM 0 H CYS A 13 1.860 0.104 2.535 1.00 0.00 H new ATOM 0 HA CYS A 13 1.261 -0.880 -0.038 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.316 -1.379 1.256 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.369 -2.266 2.434 1.00 0.00 H new ATOM 0 HG CYS A 13 3.855 -3.934 0.481 1.00 0.00 H new ATOM 163 N ASN A 14 -0.854 -2.133 0.134 1.00 0.00 N ATOM 164 CA ASN A 14 -2.090 -2.906 0.183 1.00 0.00 C ATOM 165 C ASN A 14 -1.811 -4.391 -0.028 1.00 0.00 C ATOM 166 O ASN A 14 -2.729 -5.179 -0.254 1.00 0.00 O ATOM 167 CB ASN A 14 -3.071 -2.404 -0.878 1.00 0.00 C ATOM 168 CG ASN A 14 -3.385 -0.928 -0.723 1.00 0.00 C ATOM 169 OD1 ASN A 14 -2.685 -0.074 -1.266 1.00 0.00 O ATOM 170 ND2 ASN A 14 -4.442 -0.623 0.021 1.00 0.00 N ATOM 0 H ASN A 14 -0.657 -1.709 -0.773 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.534 -2.775 1.170 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.653 -2.582 -1.869 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.995 -2.978 -0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.702 0.353 0.161 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.993 -1.365 0.452 1.00 0.00 H new ATOM 177 N ALA A 15 -0.538 -4.765 0.048 1.00 0.00 N ATOM 178 CA ALA A 15 -0.138 -6.156 -0.132 1.00 0.00 C ATOM 179 C ALA A 15 -0.049 -6.879 1.207 1.00 0.00 C ATOM 180 O ALA A 15 -0.571 -7.983 1.365 1.00 0.00 O ATOM 181 CB ALA A 15 1.193 -6.231 -0.866 1.00 0.00 C ATOM 0 H ALA A 15 0.234 -4.125 0.233 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.900 -6.653 -0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.480 -7.275 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.096 -5.759 -1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.957 -5.713 -0.287 1.00 0.00 H new ATOM 187 N CYS A 16 0.618 -6.251 2.170 1.00 0.00 N ATOM 188 CA CYS A 16 0.777 -6.834 3.496 1.00 0.00 C ATOM 189 C CYS A 16 0.196 -5.917 4.568 1.00 0.00 C ATOM 190 O CYS A 16 -0.531 -6.363 5.455 1.00 0.00 O ATOM 191 CB CYS A 16 2.256 -7.100 3.785 1.00 0.00 C ATOM 192 SG CYS A 16 3.313 -5.620 3.674 1.00 0.00 S ATOM 0 H CYS A 16 1.057 -5.337 2.056 1.00 0.00 H new ATOM 0 HA CYS A 16 0.233 -7.778 3.517 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.349 -7.526 4.784 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.623 -7.849 3.084 1.00 0.00 H new ATOM 0 HG CYS A 16 3.042 -4.975 2.578 1.00 0.00 H new ATOM 197 N GLY A 17 0.522 -4.631 4.479 1.00 0.00 N ATOM 198 CA GLY A 17 0.024 -3.670 5.446 1.00 0.00 C ATOM 199 C GLY A 17 1.139 -2.994 6.219 1.00 0.00 C ATOM 200 O GLY A 17 1.244 -3.151 7.434 1.00 0.00 O ATOM 0 H GLY A 17 1.122 -4.238 3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.567 -2.913 4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.644 -4.175 6.144 1.00 0.00 H new ATOM 204 N GLU A 18 1.974 -2.239 5.511 1.00 0.00 N ATOM 205 CA GLU A 18 3.088 -1.539 6.138 1.00 0.00 C ATOM 206 C GLU A 18 3.200 -0.111 5.611 1.00 0.00 C ATOM 207 O GLU A 18 2.821 0.174 4.475 1.00 0.00 O ATOM 208 CB GLU A 18 4.397 -2.290 5.889 1.00 0.00 C ATOM 209 CG GLU A 18 4.514 -3.586 6.673 1.00 0.00 C ATOM 210 CD GLU A 18 5.906 -4.186 6.605 1.00 0.00 C ATOM 211 OE1 GLU A 18 6.668 -3.815 5.688 1.00 0.00 O ATOM 212 OE2 GLU A 18 6.232 -5.026 7.469 1.00 0.00 O ATOM 0 H GLU A 18 1.900 -2.097 4.504 1.00 0.00 H new ATOM 0 HA GLU A 18 2.900 -1.498 7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.483 -2.510 4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.233 -1.641 6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.253 -3.401 7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.793 -4.306 6.287 1.00 0.00 H new ATOM 219 N SER A 19 3.721 0.783 6.445 1.00 0.00 N ATOM 220 CA SER A 19 3.878 2.182 6.066 1.00 0.00 C ATOM 221 C SER A 19 5.116 2.372 5.194 1.00 0.00 C ATOM 222 O SER A 19 6.229 2.516 5.699 1.00 0.00 O ATOM 223 CB SER A 19 3.979 3.062 7.313 1.00 0.00 C ATOM 224 OG SER A 19 5.128 2.737 8.076 1.00 0.00 O ATOM 0 H SER A 19 4.042 0.563 7.388 1.00 0.00 H new ATOM 0 HA SER A 19 3.000 2.478 5.491 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.019 4.111 7.019 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.085 2.936 7.924 1.00 0.00 H new ATOM 0 HG SER A 19 5.875 2.539 7.474 1.00 0.00 H new ATOM 230 N VAL A 20 4.912 2.371 3.880 1.00 0.00 N ATOM 231 CA VAL A 20 6.010 2.545 2.936 1.00 0.00 C ATOM 232 C VAL A 20 6.025 3.958 2.365 1.00 0.00 C ATOM 233 O VAL A 20 5.015 4.446 1.857 1.00 0.00 O ATOM 234 CB VAL A 20 5.918 1.535 1.777 1.00 0.00 C ATOM 235 CG1 VAL A 20 6.995 1.813 0.740 1.00 0.00 C ATOM 236 CG2 VAL A 20 6.026 0.111 2.301 1.00 0.00 C ATOM 0 H VAL A 20 3.997 2.252 3.445 1.00 0.00 H new ATOM 0 HA VAL A 20 6.933 2.370 3.488 1.00 0.00 H new ATOM 0 HB VAL A 20 4.946 1.648 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.914 1.089 -0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.866 2.820 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.978 1.729 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.959 -0.589 1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.982 -0.019 2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.214 -0.081 3.003 1.00 0.00 H new ATOM 246 N LYS A 21 7.178 4.612 2.449 1.00 0.00 N ATOM 247 CA LYS A 21 7.328 5.970 1.939 1.00 0.00 C ATOM 248 C LYS A 21 7.468 5.968 0.420 1.00 0.00 C ATOM 249 O LYS A 21 7.559 4.910 -0.204 1.00 0.00 O ATOM 250 CB LYS A 21 8.546 6.644 2.573 1.00 0.00 C ATOM 251 CG LYS A 21 8.229 7.388 3.859 1.00 0.00 C ATOM 252 CD LYS A 21 9.336 8.361 4.227 1.00 0.00 C ATOM 253 CE LYS A 21 10.555 7.636 4.779 1.00 0.00 C ATOM 254 NZ LYS A 21 10.326 7.142 6.165 1.00 0.00 N ATOM 0 H LYS A 21 8.024 4.223 2.866 1.00 0.00 H new ATOM 0 HA LYS A 21 6.432 6.531 2.203 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.304 5.888 2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.978 7.342 1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.290 7.930 3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.088 6.673 4.669 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.622 8.938 3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.967 9.070 4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.802 6.796 4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.413 8.309 4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.108 7.450 6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.430 7.527 6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.279 6.103 6.160 1.00 0.00 H new ATOM 268 N LYS A 22 7.486 7.158 -0.169 1.00 0.00 N ATOM 269 CA LYS A 22 7.618 7.295 -1.615 1.00 0.00 C ATOM 270 C LYS A 22 8.902 6.635 -2.109 1.00 0.00 C ATOM 271 O LYS A 22 8.863 5.716 -2.927 1.00 0.00 O ATOM 272 CB LYS A 22 7.607 8.773 -2.011 1.00 0.00 C ATOM 273 CG LYS A 22 7.865 9.009 -3.489 1.00 0.00 C ATOM 274 CD LYS A 22 7.378 10.379 -3.929 1.00 0.00 C ATOM 275 CE LYS A 22 8.071 10.834 -5.204 1.00 0.00 C ATOM 276 NZ LYS A 22 7.396 10.306 -6.422 1.00 0.00 N ATOM 0 H LYS A 22 7.411 8.043 0.333 1.00 0.00 H new ATOM 0 HA LYS A 22 6.770 6.794 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.642 9.204 -1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.363 9.302 -1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.932 8.919 -3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.363 8.238 -4.074 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.300 10.349 -4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.561 11.104 -3.136 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.085 11.923 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.109 10.502 -5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.878 10.666 -7.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.434 9.267 -6.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.403 10.616 -6.431 1.00 0.00 H new ATOM 290 N ILE A 23 10.037 7.110 -1.606 1.00 0.00 N ATOM 291 CA ILE A 23 11.331 6.563 -1.995 1.00 0.00 C ATOM 292 C ILE A 23 11.510 5.144 -1.466 1.00 0.00 C ATOM 293 O ILE A 23 12.242 4.343 -2.046 1.00 0.00 O ATOM 294 CB ILE A 23 12.489 7.440 -1.483 1.00 0.00 C ATOM 295 CG1 ILE A 23 12.591 7.349 0.041 1.00 0.00 C ATOM 296 CG2 ILE A 23 12.294 8.884 -1.921 1.00 0.00 C ATOM 297 CD1 ILE A 23 13.794 8.068 0.610 1.00 0.00 C ATOM 0 H ILE A 23 10.086 7.871 -0.929 1.00 0.00 H new ATOM 0 HA ILE A 23 11.352 6.547 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 23 13.421 7.073 -1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.686 7.766 0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.634 6.299 0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.120 9.491 -1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.266 8.933 -3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.356 9.263 -1.516 1.00 0.00 H new ATOM 0 HD11 ILE A 23 13.802 7.962 1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.705 7.636 0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 23 13.743 9.125 0.350 1.00 0.00 H new ATOM 309 N GLN A 24 10.835 4.841 -0.361 1.00 0.00 N ATOM 310 CA GLN A 24 10.920 3.518 0.245 1.00 0.00 C ATOM 311 C GLN A 24 10.319 2.459 -0.673 1.00 0.00 C ATOM 312 O GLN A 24 10.787 1.321 -0.716 1.00 0.00 O ATOM 313 CB GLN A 24 10.201 3.506 1.596 1.00 0.00 C ATOM 314 CG GLN A 24 11.061 4.002 2.747 1.00 0.00 C ATOM 315 CD GLN A 24 12.151 3.019 3.126 1.00 0.00 C ATOM 316 OE1 GLN A 24 12.115 1.852 2.735 1.00 0.00 O ATOM 317 NE2 GLN A 24 13.130 3.487 3.893 1.00 0.00 N ATOM 0 H GLN A 24 10.224 5.493 0.132 1.00 0.00 H new ATOM 0 HA GLN A 24 11.973 3.284 0.399 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.307 4.126 1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.869 2.491 1.813 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.515 4.954 2.472 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.428 4.189 3.614 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.120 4.461 4.194 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.891 2.872 4.180 1.00 0.00 H new ATOM 326 N VAL A 25 9.277 2.840 -1.406 1.00 0.00 N ATOM 327 CA VAL A 25 8.612 1.923 -2.324 1.00 0.00 C ATOM 328 C VAL A 25 9.620 1.013 -3.018 1.00 0.00 C ATOM 329 O VAL A 25 9.512 -0.211 -2.954 1.00 0.00 O ATOM 330 CB VAL A 25 7.805 2.686 -3.392 1.00 0.00 C ATOM 331 CG1 VAL A 25 7.276 1.727 -4.448 1.00 0.00 C ATOM 332 CG2 VAL A 25 6.667 3.461 -2.746 1.00 0.00 C ATOM 0 H VAL A 25 8.875 3.777 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 25 7.930 1.317 -1.728 1.00 0.00 H new ATOM 0 HB VAL A 25 8.467 3.399 -3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.709 2.284 -5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.112 1.221 -4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.628 0.988 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.107 3.994 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.003 2.769 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.074 4.177 -2.031 1.00 0.00 H new ATOM 342 N GLU A 26 10.599 1.621 -3.681 1.00 0.00 N ATOM 343 CA GLU A 26 11.626 0.864 -4.388 1.00 0.00 C ATOM 344 C GLU A 26 12.172 -0.260 -3.512 1.00 0.00 C ATOM 345 O GLU A 26 12.226 -1.417 -3.929 1.00 0.00 O ATOM 346 CB GLU A 26 12.766 1.789 -4.820 1.00 0.00 C ATOM 347 CG GLU A 26 12.320 2.918 -5.734 1.00 0.00 C ATOM 348 CD GLU A 26 13.449 3.452 -6.594 1.00 0.00 C ATOM 349 OE1 GLU A 26 14.618 3.353 -6.168 1.00 0.00 O ATOM 350 OE2 GLU A 26 13.162 3.970 -7.694 1.00 0.00 O ATOM 0 H GLU A 26 10.703 2.634 -3.743 1.00 0.00 H new ATOM 0 HA GLU A 26 11.171 0.422 -5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.234 2.215 -3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.528 1.199 -5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.515 2.563 -6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.912 3.729 -5.131 1.00 0.00 H new ATOM 357 N LYS A 27 12.578 0.089 -2.296 1.00 0.00 N ATOM 358 CA LYS A 27 13.120 -0.888 -1.360 1.00 0.00 C ATOM 359 C LYS A 27 12.065 -1.923 -0.982 1.00 0.00 C ATOM 360 O LYS A 27 12.267 -3.125 -1.163 1.00 0.00 O ATOM 361 CB LYS A 27 13.636 -0.188 -0.101 1.00 0.00 C ATOM 362 CG LYS A 27 14.989 0.476 -0.286 1.00 0.00 C ATOM 363 CD LYS A 27 16.125 -0.524 -0.148 1.00 0.00 C ATOM 364 CE LYS A 27 17.384 -0.037 -0.848 1.00 0.00 C ATOM 365 NZ LYS A 27 18.425 -1.101 -0.920 1.00 0.00 N ATOM 0 H LYS A 27 12.542 1.043 -1.936 1.00 0.00 H new ATOM 0 HA LYS A 27 13.949 -1.401 -1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.911 0.564 0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.705 -0.916 0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.034 0.945 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.110 1.269 0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.337 -0.693 0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.821 -1.482 -0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.134 0.295 -1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.784 0.827 -0.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.268 -0.730 -1.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.682 -1.401 0.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.053 -1.916 -1.448 1.00 0.00 H new ATOM 379 N HIS A 28 10.939 -1.450 -0.459 1.00 0.00 N ATOM 380 CA HIS A 28 9.851 -2.335 -0.058 1.00 0.00 C ATOM 381 C HIS A 28 9.583 -3.387 -1.130 1.00 0.00 C ATOM 382 O HIS A 28 9.727 -4.585 -0.888 1.00 0.00 O ATOM 383 CB HIS A 28 8.580 -1.527 0.209 1.00 0.00 C ATOM 384 CG HIS A 28 7.481 -2.330 0.834 1.00 0.00 C ATOM 385 ND1 HIS A 28 7.336 -2.474 2.198 1.00 0.00 N ATOM 386 CD2 HIS A 28 6.469 -3.032 0.273 1.00 0.00 C ATOM 387 CE1 HIS A 28 6.283 -3.232 2.449 1.00 0.00 C ATOM 388 NE2 HIS A 28 5.739 -3.583 1.298 1.00 0.00 N ATOM 0 H HIS A 28 10.756 -0.459 -0.303 1.00 0.00 H new ATOM 0 HA HIS A 28 10.149 -2.844 0.859 1.00 0.00 H new ATOM 0 HB2 HIS A 28 8.823 -0.688 0.862 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.222 -1.106 -0.731 1.00 0.00 H new ATOM 0 HD1 HIS A 28 7.946 -2.060 2.903 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.272 -3.139 -0.783 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.928 -3.516 3.429 1.00 0.00 H new ATOM 396 N VAL A 29 9.191 -2.930 -2.315 1.00 0.00 N ATOM 397 CA VAL A 29 8.904 -3.832 -3.425 1.00 0.00 C ATOM 398 C VAL A 29 9.887 -4.996 -3.456 1.00 0.00 C ATOM 399 O VAL A 29 9.495 -6.149 -3.640 1.00 0.00 O ATOM 400 CB VAL A 29 8.956 -3.094 -4.776 1.00 0.00 C ATOM 401 CG1 VAL A 29 8.765 -4.071 -5.926 1.00 0.00 C ATOM 402 CG2 VAL A 29 7.907 -1.993 -4.821 1.00 0.00 C ATOM 0 H VAL A 29 9.065 -1.941 -2.531 1.00 0.00 H new ATOM 0 HA VAL A 29 7.896 -4.216 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 29 9.938 -2.634 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.805 -3.531 -6.872 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.556 -4.820 -5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.797 -4.562 -5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.957 -1.482 -5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.916 -2.429 -4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.095 -1.278 -4.020 1.00 0.00 H new ATOM 412 N SER A 30 11.167 -4.688 -3.274 1.00 0.00 N ATOM 413 CA SER A 30 12.208 -5.708 -3.284 1.00 0.00 C ATOM 414 C SER A 30 11.787 -6.923 -2.463 1.00 0.00 C ATOM 415 O SER A 30 11.843 -8.057 -2.937 1.00 0.00 O ATOM 416 CB SER A 30 13.518 -5.137 -2.736 1.00 0.00 C ATOM 417 OG SER A 30 14.637 -5.810 -3.286 1.00 0.00 O ATOM 0 H SER A 30 11.508 -3.739 -3.118 1.00 0.00 H new ATOM 0 HA SER A 30 12.361 -6.024 -4.316 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.580 -4.074 -2.967 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.532 -5.229 -1.650 1.00 0.00 H new ATOM 0 HG SER A 30 15.462 -5.426 -2.922 1.00 0.00 H new ATOM 423 N ASN A 31 11.364 -6.676 -1.227 1.00 0.00 N ATOM 424 CA ASN A 31 10.934 -7.748 -0.338 1.00 0.00 C ATOM 425 C ASN A 31 9.489 -8.147 -0.626 1.00 0.00 C ATOM 426 O ASN A 31 9.176 -9.329 -0.768 1.00 0.00 O ATOM 427 CB ASN A 31 11.073 -7.315 1.123 1.00 0.00 C ATOM 428 CG ASN A 31 10.899 -8.472 2.088 1.00 0.00 C ATOM 429 OD1 ASN A 31 9.798 -8.998 2.252 1.00 0.00 O ATOM 430 ND2 ASN A 31 11.988 -8.873 2.733 1.00 0.00 N ATOM 0 H ASN A 31 11.310 -5.743 -0.819 1.00 0.00 H new ATOM 0 HA ASN A 31 11.574 -8.612 -0.516 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.054 -6.864 1.274 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.332 -6.547 1.344 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.932 -9.646 3.396 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.880 -8.408 2.566 1.00 0.00 H new ATOM 437 N CYS A 32 8.613 -7.152 -0.712 1.00 0.00 N ATOM 438 CA CYS A 32 7.202 -7.397 -0.984 1.00 0.00 C ATOM 439 C CYS A 32 6.940 -7.462 -2.486 1.00 0.00 C ATOM 440 O CYS A 32 6.789 -6.433 -3.145 1.00 0.00 O ATOM 441 CB CYS A 32 6.342 -6.300 -0.352 1.00 0.00 C ATOM 442 SG CYS A 32 4.679 -6.854 0.146 1.00 0.00 S ATOM 0 H CYS A 32 8.856 -6.168 -0.597 1.00 0.00 H new ATOM 0 HA CYS A 32 6.935 -8.358 -0.545 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.859 -5.906 0.523 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.242 -5.478 -1.060 1.00 0.00 H new ATOM 0 HG CYS A 32 4.382 -6.348 1.306 1.00 0.00 H new ATOM 447 N ARG A 33 6.888 -8.678 -3.020 1.00 0.00 N ATOM 448 CA ARG A 33 6.645 -8.877 -4.444 1.00 0.00 C ATOM 449 C ARG A 33 5.156 -9.056 -4.722 1.00 0.00 C ATOM 450 O ARG A 33 4.769 -9.725 -5.679 1.00 0.00 O ATOM 451 CB ARG A 33 7.419 -10.096 -4.948 1.00 0.00 C ATOM 452 CG ARG A 33 8.853 -9.785 -5.348 1.00 0.00 C ATOM 453 CD ARG A 33 9.349 -10.736 -6.426 1.00 0.00 C ATOM 454 NE ARG A 33 10.566 -10.246 -7.068 1.00 0.00 N ATOM 455 CZ ARG A 33 11.761 -10.261 -6.489 1.00 0.00 C ATOM 456 NH1 ARG A 33 11.899 -10.739 -5.260 1.00 0.00 N ATOM 457 NH2 ARG A 33 12.821 -9.798 -7.138 1.00 0.00 N ATOM 0 H ARG A 33 7.011 -9.540 -2.488 1.00 0.00 H new ATOM 0 HA ARG A 33 6.991 -7.990 -4.974 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.425 -10.859 -4.170 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.895 -10.519 -5.805 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.917 -8.759 -5.709 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.499 -9.856 -4.473 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.540 -11.715 -5.986 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.571 -10.870 -7.178 1.00 0.00 H new ATOM 0 HE ARG A 33 10.494 -9.871 -8.014 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.086 -11.096 -4.757 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.818 -10.750 -4.817 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.719 -9.429 -8.084 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.738 -9.810 -6.691 1.00 0.00 H new ATOM 471 N ASN A 34 4.325 -8.454 -3.877 1.00 0.00 N ATOM 472 CA ASN A 34 2.877 -8.547 -4.031 1.00 0.00 C ATOM 473 C ASN A 34 2.239 -7.162 -4.024 1.00 0.00 C ATOM 474 O ASN A 34 1.025 -7.028 -3.866 1.00 0.00 O ATOM 475 CB ASN A 34 2.279 -9.403 -2.913 1.00 0.00 C ATOM 476 CG ASN A 34 3.078 -9.315 -1.627 1.00 0.00 C ATOM 477 OD1 ASN A 34 2.650 -8.685 -0.660 1.00 0.00 O ATOM 478 ND2 ASN A 34 4.245 -9.948 -1.611 1.00 0.00 N ATOM 0 H ASN A 34 4.629 -7.897 -3.079 1.00 0.00 H new ATOM 0 HA ASN A 34 2.668 -9.018 -4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.254 -9.084 -2.723 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.234 -10.442 -3.239 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.827 -9.924 -0.773 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.560 -10.458 -2.436 1.00 0.00 H new ATOM 485 N CYS A 35 3.064 -6.135 -4.195 1.00 0.00 N ATOM 486 CA CYS A 35 2.580 -4.759 -4.208 1.00 0.00 C ATOM 487 C CYS A 35 1.997 -4.401 -5.571 1.00 0.00 C ATOM 488 O CYS A 35 2.733 -4.166 -6.529 1.00 0.00 O ATOM 489 CB CYS A 35 3.713 -3.795 -3.855 1.00 0.00 C ATOM 490 SG CYS A 35 3.187 -2.076 -3.665 1.00 0.00 S ATOM 0 H CYS A 35 4.071 -6.229 -4.327 1.00 0.00 H new ATOM 0 HA CYS A 35 1.791 -4.670 -3.461 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.181 -4.125 -2.928 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.475 -3.847 -4.633 1.00 0.00 H new ATOM 0 HG CYS A 35 4.215 -1.338 -3.365 1.00 0.00 H new ATOM 496 N GLU A 36 0.671 -4.362 -5.650 1.00 0.00 N ATOM 497 CA GLU A 36 -0.010 -4.034 -6.897 1.00 0.00 C ATOM 498 C GLU A 36 -0.521 -2.597 -6.877 1.00 0.00 C ATOM 499 O GLU A 36 -0.312 -1.839 -7.825 1.00 0.00 O ATOM 500 CB GLU A 36 -1.175 -4.997 -7.137 1.00 0.00 C ATOM 501 CG GLU A 36 -0.736 -6.418 -7.448 1.00 0.00 C ATOM 502 CD GLU A 36 -1.785 -7.198 -8.217 1.00 0.00 C ATOM 503 OE1 GLU A 36 -2.986 -7.028 -7.922 1.00 0.00 O ATOM 504 OE2 GLU A 36 -1.403 -7.979 -9.114 1.00 0.00 O ATOM 0 H GLU A 36 0.047 -4.553 -4.866 1.00 0.00 H new ATOM 0 HA GLU A 36 0.709 -4.135 -7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.814 -5.008 -6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.780 -4.623 -7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.187 -6.391 -8.026 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.513 -6.938 -6.516 1.00 0.00 H new ATOM 511 N CYS A 37 -1.192 -2.229 -5.791 1.00 0.00 N ATOM 512 CA CYS A 37 -1.734 -0.882 -5.647 1.00 0.00 C ATOM 513 C CYS A 37 -1.231 -0.228 -4.364 1.00 0.00 C ATOM 514 O CYS A 37 -0.894 -0.912 -3.396 1.00 0.00 O ATOM 515 CB CYS A 37 -3.263 -0.923 -5.648 1.00 0.00 C ATOM 516 SG CYS A 37 -4.045 0.707 -5.660 1.00 0.00 S ATOM 0 H CYS A 37 -1.374 -2.844 -4.998 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.393 -0.287 -6.494 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.600 -1.482 -6.521 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.602 -1.470 -4.768 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.857 0.791 -6.672 1.00 0.00 H new ATOM 522 N LEU A 38 -1.181 1.099 -4.364 1.00 0.00 N ATOM 523 CA LEU A 38 -0.718 1.847 -3.200 1.00 0.00 C ATOM 524 C LEU A 38 -1.642 3.025 -2.906 1.00 0.00 C ATOM 525 O LEU A 38 -2.323 3.530 -3.798 1.00 0.00 O ATOM 526 CB LEU A 38 0.710 2.348 -3.427 1.00 0.00 C ATOM 527 CG LEU A 38 1.802 1.278 -3.446 1.00 0.00 C ATOM 528 CD1 LEU A 38 3.012 1.766 -4.227 1.00 0.00 C ATOM 529 CD2 LEU A 38 2.198 0.895 -2.028 1.00 0.00 C ATOM 0 H LEU A 38 -1.455 1.680 -5.157 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.730 1.177 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.739 2.885 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.949 3.069 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 38 1.408 0.391 -3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.779 0.992 -4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.717 1.989 -5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.408 2.667 -3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.976 0.132 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.574 1.774 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.328 0.503 -1.501 1.00 0.00 H new ATOM 541 N SER A 39 -1.658 3.457 -1.649 1.00 0.00 N ATOM 542 CA SER A 39 -2.500 4.575 -1.237 1.00 0.00 C ATOM 543 C SER A 39 -1.693 5.600 -0.445 1.00 0.00 C ATOM 544 O SER A 39 -0.827 5.242 0.355 1.00 0.00 O ATOM 545 CB SER A 39 -3.674 4.073 -0.394 1.00 0.00 C ATOM 546 OG SER A 39 -4.429 3.102 -1.098 1.00 0.00 O ATOM 0 H SER A 39 -1.099 3.051 -0.899 1.00 0.00 H new ATOM 0 HA SER A 39 -2.886 5.057 -2.135 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.301 3.644 0.536 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.316 4.911 -0.123 1.00 0.00 H new ATOM 0 HG SER A 39 -5.172 2.796 -0.537 1.00 0.00 H new ATOM 552 N CYS A 40 -1.982 6.876 -0.675 1.00 0.00 N ATOM 553 CA CYS A 40 -1.284 7.955 0.014 1.00 0.00 C ATOM 554 C CYS A 40 -2.092 8.446 1.212 1.00 0.00 C ATOM 555 O CYS A 40 -3.183 8.995 1.055 1.00 0.00 O ATOM 556 CB CYS A 40 -1.019 9.115 -0.947 1.00 0.00 C ATOM 557 SG CYS A 40 -0.111 10.507 -0.200 1.00 0.00 S ATOM 0 H CYS A 40 -2.695 7.189 -1.334 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.331 7.567 0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.454 8.743 -1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.972 9.480 -1.330 1.00 0.00 H new ATOM 0 HG CYS A 40 0.844 10.048 0.553 1.00 0.00 H new ATOM 562 N ILE A 41 -1.548 8.246 2.408 1.00 0.00 N ATOM 563 CA ILE A 41 -2.216 8.670 3.632 1.00 0.00 C ATOM 564 C ILE A 41 -2.142 10.184 3.803 1.00 0.00 C ATOM 565 O ILE A 41 -3.037 10.798 4.383 1.00 0.00 O ATOM 566 CB ILE A 41 -1.603 7.994 4.872 1.00 0.00 C ATOM 567 CG1 ILE A 41 -0.125 8.369 5.005 1.00 0.00 C ATOM 568 CG2 ILE A 41 -1.766 6.484 4.787 1.00 0.00 C ATOM 569 CD1 ILE A 41 0.503 7.900 6.299 1.00 0.00 C ATOM 0 H ILE A 41 -0.646 7.793 2.555 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.259 8.367 3.542 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.130 8.347 5.758 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.427 7.942 4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.025 9.452 4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.328 6.020 5.671 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.826 6.235 4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.261 6.113 3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.550 8.200 6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.024 8.347 7.142 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.435 6.814 6.364 1.00 0.00 H new ATOM 581 N ASP A 42 -1.070 10.779 3.292 1.00 0.00 N ATOM 582 CA ASP A 42 -0.880 12.222 3.385 1.00 0.00 C ATOM 583 C ASP A 42 -2.151 12.965 2.987 1.00 0.00 C ATOM 584 O ASP A 42 -2.601 13.869 3.691 1.00 0.00 O ATOM 585 CB ASP A 42 0.284 12.663 2.495 1.00 0.00 C ATOM 586 CG ASP A 42 0.922 13.952 2.973 1.00 0.00 C ATOM 587 OD1 ASP A 42 1.415 13.981 4.120 1.00 0.00 O ATOM 588 OD2 ASP A 42 0.929 14.933 2.200 1.00 0.00 O ATOM 0 H ASP A 42 -0.320 10.285 2.809 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.648 12.467 4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.037 11.876 2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.073 12.795 1.474 1.00 0.00 H new ATOM 593 N CYS A 43 -2.725 12.578 1.852 1.00 0.00 N ATOM 594 CA CYS A 43 -3.944 13.208 1.358 1.00 0.00 C ATOM 595 C CYS A 43 -5.086 12.198 1.284 1.00 0.00 C ATOM 596 O CYS A 43 -6.206 12.479 1.710 1.00 0.00 O ATOM 597 CB CYS A 43 -3.702 13.823 -0.021 1.00 0.00 C ATOM 598 SG CYS A 43 -3.075 12.644 -1.261 1.00 0.00 S ATOM 0 H CYS A 43 -2.365 11.831 1.257 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.225 13.997 2.056 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.635 14.254 -0.384 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.990 14.642 0.078 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.068 11.988 -0.766 1.00 0.00 H new ATOM 603 N GLY A 44 -4.794 11.021 0.740 1.00 0.00 N ATOM 604 CA GLY A 44 -5.805 9.987 0.619 1.00 0.00 C ATOM 605 C GLY A 44 -6.227 9.753 -0.818 1.00 0.00 C ATOM 606 O GLY A 44 -7.303 10.181 -1.235 1.00 0.00 O ATOM 0 H GLY A 44 -3.874 10.765 0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.421 9.057 1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.678 10.266 1.210 1.00 0.00 H new ATOM 610 N LYS A 45 -5.376 9.072 -1.578 1.00 0.00 N ATOM 611 CA LYS A 45 -5.665 8.781 -2.978 1.00 0.00 C ATOM 612 C LYS A 45 -5.155 7.395 -3.361 1.00 0.00 C ATOM 613 O LYS A 45 -4.146 6.927 -2.835 1.00 0.00 O ATOM 614 CB LYS A 45 -5.028 9.838 -3.882 1.00 0.00 C ATOM 615 CG LYS A 45 -5.695 9.959 -5.241 1.00 0.00 C ATOM 616 CD LYS A 45 -6.823 10.977 -5.221 1.00 0.00 C ATOM 617 CE LYS A 45 -8.135 10.346 -4.782 1.00 0.00 C ATOM 618 NZ LYS A 45 -9.310 11.023 -5.398 1.00 0.00 N ATOM 0 H LYS A 45 -4.481 8.711 -1.248 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.747 8.802 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.068 10.805 -3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.975 9.595 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.954 10.250 -5.986 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.086 8.987 -5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.566 11.793 -4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.941 11.411 -6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.140 9.291 -5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.216 10.395 -3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.185 10.563 -5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.320 12.024 -5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.246 10.955 -6.434 1.00 0.00 H new ATOM 632 N ASP A 46 -5.859 6.745 -4.282 1.00 0.00 N ATOM 633 CA ASP A 46 -5.476 5.414 -4.738 1.00 0.00 C ATOM 634 C ASP A 46 -4.577 5.499 -5.967 1.00 0.00 C ATOM 635 O ASP A 46 -4.851 6.255 -6.899 1.00 0.00 O ATOM 636 CB ASP A 46 -6.721 4.584 -5.057 1.00 0.00 C ATOM 637 CG ASP A 46 -7.559 5.198 -6.161 1.00 0.00 C ATOM 638 OD1 ASP A 46 -7.790 6.425 -6.119 1.00 0.00 O ATOM 639 OD2 ASP A 46 -7.982 4.452 -7.069 1.00 0.00 O ATOM 0 H ASP A 46 -6.697 7.118 -4.727 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.920 4.927 -3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.419 3.579 -5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.328 4.484 -4.157 1.00 0.00 H new ATOM 644 N PHE A 47 -3.501 4.718 -5.961 1.00 0.00 N ATOM 645 CA PHE A 47 -2.559 4.707 -7.075 1.00 0.00 C ATOM 646 C PHE A 47 -2.271 3.278 -7.528 1.00 0.00 C ATOM 647 O PHE A 47 -1.376 2.617 -7.001 1.00 0.00 O ATOM 648 CB PHE A 47 -1.255 5.400 -6.675 1.00 0.00 C ATOM 649 CG PHE A 47 -1.417 6.866 -6.393 1.00 0.00 C ATOM 650 CD1 PHE A 47 -1.433 7.786 -7.429 1.00 0.00 C ATOM 651 CD2 PHE A 47 -1.553 7.324 -5.092 1.00 0.00 C ATOM 652 CE1 PHE A 47 -1.583 9.136 -7.173 1.00 0.00 C ATOM 653 CE2 PHE A 47 -1.704 8.673 -4.831 1.00 0.00 C ATOM 654 CZ PHE A 47 -1.717 9.580 -5.872 1.00 0.00 C ATOM 0 H PHE A 47 -3.260 4.085 -5.198 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.010 5.250 -7.906 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.850 4.911 -5.789 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.524 5.270 -7.473 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.327 7.444 -8.448 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.541 6.619 -4.274 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.595 9.843 -7.989 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.812 9.017 -3.813 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.832 10.635 -5.669 1.00 0.00 H new ATOM 664 N TRP A 48 -3.036 2.810 -8.507 1.00 0.00 N ATOM 665 CA TRP A 48 -2.864 1.459 -9.032 1.00 0.00 C ATOM 666 C TRP A 48 -1.654 1.385 -9.957 1.00 0.00 C ATOM 667 O TRP A 48 -1.247 2.387 -10.543 1.00 0.00 O ATOM 668 CB TRP A 48 -4.122 1.017 -9.780 1.00 0.00 C ATOM 669 CG TRP A 48 -5.329 0.905 -8.899 1.00 0.00 C ATOM 670 CD1 TRP A 48 -6.110 1.929 -8.444 1.00 0.00 C ATOM 671 CD2 TRP A 48 -5.892 -0.298 -8.365 1.00 0.00 C ATOM 672 NE1 TRP A 48 -7.124 1.435 -7.660 1.00 0.00 N ATOM 673 CE2 TRP A 48 -7.013 0.071 -7.596 1.00 0.00 C ATOM 674 CE3 TRP A 48 -5.560 -1.652 -8.463 1.00 0.00 C ATOM 675 CZ2 TRP A 48 -7.800 -0.865 -6.930 1.00 0.00 C ATOM 676 CZ3 TRP A 48 -6.342 -2.580 -7.802 1.00 0.00 C ATOM 677 CH2 TRP A 48 -7.451 -2.183 -7.044 1.00 0.00 C ATOM 0 H TRP A 48 -3.781 3.345 -8.954 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.696 0.787 -8.191 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.329 1.728 -10.579 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.935 0.053 -10.252 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.953 2.974 -8.668 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.843 1.993 -7.200 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.707 -1.968 -9.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.655 -0.561 -6.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -6.094 -3.629 -7.871 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -8.043 -2.932 -6.539 1.00 0.00 H new ATOM 688 N GLY A 49 -1.084 0.191 -10.083 1.00 0.00 N ATOM 689 CA GLY A 49 0.074 0.008 -10.938 1.00 0.00 C ATOM 690 C GLY A 49 1.173 1.012 -10.649 1.00 0.00 C ATOM 691 O GLY A 49 1.439 1.334 -9.491 1.00 0.00 O ATOM 0 H GLY A 49 -1.404 -0.653 -9.608 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.464 -1.001 -10.805 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.230 0.097 -11.981 1.00 0.00 H new ATOM 695 N ASP A 50 1.813 1.506 -11.703 1.00 0.00 N ATOM 696 CA ASP A 50 2.890 2.478 -11.557 1.00 0.00 C ATOM 697 C ASP A 50 2.352 3.903 -11.647 1.00 0.00 C ATOM 698 O ASP A 50 2.912 4.745 -12.348 1.00 0.00 O ATOM 699 CB ASP A 50 3.958 2.254 -12.629 1.00 0.00 C ATOM 700 CG ASP A 50 3.359 1.914 -13.979 1.00 0.00 C ATOM 701 OD1 ASP A 50 2.921 2.846 -14.686 1.00 0.00 O ATOM 702 OD2 ASP A 50 3.330 0.716 -14.330 1.00 0.00 O ATOM 0 H ASP A 50 1.605 1.249 -12.668 1.00 0.00 H new ATOM 0 HA ASP A 50 3.339 2.340 -10.574 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.570 3.151 -12.722 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.621 1.447 -12.315 1.00 0.00 H new ATOM 707 N ASP A 51 1.262 4.164 -10.933 1.00 0.00 N ATOM 708 CA ASP A 51 0.647 5.487 -10.933 1.00 0.00 C ATOM 709 C ASP A 51 1.250 6.365 -9.841 1.00 0.00 C ATOM 710 O ASP A 51 1.565 7.532 -10.073 1.00 0.00 O ATOM 711 CB ASP A 51 -0.865 5.370 -10.735 1.00 0.00 C ATOM 712 CG ASP A 51 -1.548 6.722 -10.685 1.00 0.00 C ATOM 713 OD1 ASP A 51 -0.970 7.699 -11.206 1.00 0.00 O ATOM 714 OD2 ASP A 51 -2.662 6.803 -10.126 1.00 0.00 O ATOM 0 H ASP A 51 0.786 3.478 -10.347 1.00 0.00 H new ATOM 0 HA ASP A 51 0.843 5.953 -11.899 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.290 4.781 -11.547 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.067 4.830 -9.810 1.00 0.00 H new ATOM 719 N TYR A 52 1.405 5.797 -8.650 1.00 0.00 N ATOM 720 CA TYR A 52 1.966 6.529 -7.521 1.00 0.00 C ATOM 721 C TYR A 52 3.184 7.342 -7.950 1.00 0.00 C ATOM 722 O TYR A 52 3.440 8.425 -7.424 1.00 0.00 O ATOM 723 CB TYR A 52 2.353 5.563 -6.401 1.00 0.00 C ATOM 724 CG TYR A 52 3.503 4.649 -6.759 1.00 0.00 C ATOM 725 CD1 TYR A 52 3.289 3.480 -7.479 1.00 0.00 C ATOM 726 CD2 TYR A 52 4.804 4.955 -6.377 1.00 0.00 C ATOM 727 CE1 TYR A 52 4.337 2.642 -7.808 1.00 0.00 C ATOM 728 CE2 TYR A 52 5.858 4.123 -6.703 1.00 0.00 C ATOM 729 CZ TYR A 52 5.619 2.968 -7.418 1.00 0.00 C ATOM 730 OH TYR A 52 6.666 2.137 -7.743 1.00 0.00 O ATOM 0 H TYR A 52 1.150 4.832 -8.442 1.00 0.00 H new ATOM 0 HA TYR A 52 1.204 7.216 -7.152 1.00 0.00 H new ATOM 0 HB2 TYR A 52 2.619 6.137 -5.513 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.486 4.957 -6.140 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.286 3.222 -7.787 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.994 5.858 -5.816 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.153 1.737 -8.367 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.863 4.376 -6.400 1.00 0.00 H new ATOM 0 HH TYR A 52 7.502 2.512 -7.395 1.00 0.00 H new ATOM 740 N LYS A 53 3.934 6.810 -8.910 1.00 0.00 N ATOM 741 CA LYS A 53 5.125 7.484 -9.413 1.00 0.00 C ATOM 742 C LYS A 53 4.847 8.963 -9.665 1.00 0.00 C ATOM 743 O LYS A 53 5.475 9.833 -9.062 1.00 0.00 O ATOM 744 CB LYS A 53 5.606 6.818 -10.704 1.00 0.00 C ATOM 745 CG LYS A 53 6.103 5.396 -10.506 1.00 0.00 C ATOM 746 CD LYS A 53 7.583 5.366 -10.162 1.00 0.00 C ATOM 747 CE LYS A 53 7.849 5.971 -8.792 1.00 0.00 C ATOM 748 NZ LYS A 53 9.060 5.385 -8.153 1.00 0.00 N ATOM 0 H LYS A 53 3.738 5.914 -9.355 1.00 0.00 H new ATOM 0 HA LYS A 53 5.905 7.402 -8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.789 6.811 -11.426 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.408 7.417 -11.135 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.533 4.918 -9.709 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.928 4.818 -11.414 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.942 4.337 -10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.145 5.914 -10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.975 7.049 -8.889 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.984 5.808 -8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.207 5.823 -7.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.929 4.360 -8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.890 5.562 -8.754 1.00 0.00 H new ATOM 762 N SER A 54 3.903 9.240 -10.559 1.00 0.00 N ATOM 763 CA SER A 54 3.545 10.613 -10.892 1.00 0.00 C ATOM 764 C SER A 54 3.304 11.433 -9.628 1.00 0.00 C ATOM 765 O SER A 54 3.740 12.580 -9.525 1.00 0.00 O ATOM 766 CB SER A 54 2.296 10.637 -11.775 1.00 0.00 C ATOM 767 OG SER A 54 1.876 11.967 -12.029 1.00 0.00 O ATOM 0 H SER A 54 3.372 8.531 -11.066 1.00 0.00 H new ATOM 0 HA SER A 54 4.377 11.057 -11.439 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.504 10.132 -12.718 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.492 10.085 -11.288 1.00 0.00 H new ATOM 0 HG SER A 54 1.077 11.955 -12.597 1.00 0.00 H new ATOM 773 N HIS A 55 2.605 10.837 -8.667 1.00 0.00 N ATOM 774 CA HIS A 55 2.305 11.511 -7.409 1.00 0.00 C ATOM 775 C HIS A 55 3.589 11.873 -6.667 1.00 0.00 C ATOM 776 O HIS A 55 4.220 11.019 -6.045 1.00 0.00 O ATOM 777 CB HIS A 55 1.427 10.623 -6.527 1.00 0.00 C ATOM 778 CG HIS A 55 0.754 11.364 -5.413 1.00 0.00 C ATOM 779 ND1 HIS A 55 -0.183 12.352 -5.624 1.00 0.00 N ATOM 780 CD2 HIS A 55 0.887 11.254 -4.070 1.00 0.00 C ATOM 781 CE1 HIS A 55 -0.597 12.820 -4.460 1.00 0.00 C ATOM 782 NE2 HIS A 55 0.037 12.170 -3.501 1.00 0.00 N ATOM 0 H HIS A 55 2.236 9.889 -8.736 1.00 0.00 H new ATOM 0 HA HIS A 55 1.766 12.430 -7.638 1.00 0.00 H new ATOM 0 HB2 HIS A 55 0.667 10.147 -7.147 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.039 9.826 -6.105 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.540 10.573 -3.544 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.329 13.601 -4.317 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -0.085 12.324 -2.500 1.00 0.00 H new ATOM 790 N VAL A 56 3.969 13.145 -6.740 1.00 0.00 N ATOM 791 CA VAL A 56 5.177 13.620 -6.076 1.00 0.00 C ATOM 792 C VAL A 56 4.836 14.514 -4.888 1.00 0.00 C ATOM 793 O VAL A 56 5.619 14.641 -3.947 1.00 0.00 O ATOM 794 CB VAL A 56 6.082 14.400 -7.048 1.00 0.00 C ATOM 795 CG1 VAL A 56 6.617 13.480 -8.134 1.00 0.00 C ATOM 796 CG2 VAL A 56 5.326 15.572 -7.655 1.00 0.00 C ATOM 0 H VAL A 56 3.458 13.864 -7.252 1.00 0.00 H new ATOM 0 HA VAL A 56 5.711 12.738 -5.722 1.00 0.00 H new ATOM 0 HB VAL A 56 6.931 14.795 -6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.254 14.049 -8.811 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.197 12.678 -7.678 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.784 13.053 -8.692 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.980 16.112 -8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.458 15.202 -8.200 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.997 16.243 -6.862 1.00 0.00 H new ATOM 806 N LYS A 57 3.660 15.131 -4.938 1.00 0.00 N ATOM 807 CA LYS A 57 3.212 16.012 -3.866 1.00 0.00 C ATOM 808 C LYS A 57 1.706 15.890 -3.656 1.00 0.00 C ATOM 809 O LYS A 57 1.019 15.193 -4.402 1.00 0.00 O ATOM 810 CB LYS A 57 3.577 17.463 -4.185 1.00 0.00 C ATOM 811 CG LYS A 57 4.949 17.871 -3.677 1.00 0.00 C ATOM 812 CD LYS A 57 5.430 19.152 -4.338 1.00 0.00 C ATOM 813 CE LYS A 57 6.156 18.868 -5.643 1.00 0.00 C ATOM 814 NZ LYS A 57 7.562 18.434 -5.413 1.00 0.00 N ATOM 0 H LYS A 57 3.000 15.037 -5.710 1.00 0.00 H new ATOM 0 HA LYS A 57 3.715 15.711 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.540 17.609 -5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.826 18.122 -3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.911 18.010 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.663 17.070 -3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.579 19.806 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.095 19.685 -3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.623 18.094 -6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.149 19.763 -6.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.023 18.250 -6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.079 19.183 -4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.568 17.565 -4.841 1.00 0.00 H new ATOM 828 N CYS A 58 1.199 16.573 -2.635 1.00 0.00 N ATOM 829 CA CYS A 58 -0.225 16.543 -2.326 1.00 0.00 C ATOM 830 C CYS A 58 -0.812 17.951 -2.325 1.00 0.00 C ATOM 831 O CYS A 58 -1.599 18.306 -1.447 1.00 0.00 O ATOM 832 CB CYS A 58 -0.460 15.879 -0.967 1.00 0.00 C ATOM 833 SG CYS A 58 0.485 14.342 -0.717 1.00 0.00 S ATOM 0 H CYS A 58 1.754 17.154 -2.007 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.726 15.960 -3.099 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.199 16.586 -0.179 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.523 15.661 -0.860 1.00 0.00 H new ATOM 0 HG CYS A 58 0.990 14.333 0.481 1.00 0.00 H new