USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=15 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 180:sc= -0.494 USER MOD Set 1.2: A 43 CYS SG : rot -55:sc= 0.0884 USER MOD Set 1.3: A 55 HIS : no HD1:sc= -0.637 K(o=-1,f=-2.3) USER MOD Set 1.4: A 58 CYS SG : rot 136:sc= 0.00618 USER MOD Set 2.1: A 13 CYS SG : rot 130:sc= 0.333 USER MOD Set 2.2: A 16 CYS SG : rot -49:sc= 0.0782 USER MOD Set 2.3: A 28 HIS : no HD1:sc= -1.66 K(o=-2.3,f=-3.6!) USER MOD Set 2.4: A 32 CYS SG : rot 124:sc= -1.02 USER MOD Set 2.5: A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 166:sc= -0.241 (180deg=-0.689) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.754 K(o=-0.75,f=-1.8) USER MOD Single : A 19 SER OG : rot 45:sc= 0.529 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= -0.332 X(o=-0.33,f=-0.16) 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= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.0473 X(o=-0.047,f=0) USER MOD Single : A 37 CYS SG : rot 141:sc= -2.43! USER MOD Single : A 39 SER OG : rot 180:sc= 0 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 -40:sc= 0.113 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 6.878 14.291 4.264 1.00 0.00 N ATOM 67 CA MET A 8 6.899 13.811 2.887 1.00 0.00 C ATOM 68 C MET A 8 5.692 12.924 2.602 1.00 0.00 C ATOM 69 O MET A 8 4.951 12.555 3.514 1.00 0.00 O ATOM 70 CB MET A 8 8.191 13.038 2.612 1.00 0.00 C ATOM 71 CG MET A 8 8.497 12.872 1.133 1.00 0.00 C ATOM 72 SD MET A 8 10.266 12.790 0.795 1.00 0.00 S ATOM 73 CE MET A 8 10.805 11.670 2.084 1.00 0.00 C ATOM 0 HA MET A 8 6.855 14.677 2.227 1.00 0.00 H new ATOM 0 HB2 MET A 8 9.023 13.555 3.091 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.120 12.053 3.073 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.019 11.964 0.767 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.064 13.706 0.580 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.815 11.323 1.866 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.799 12.189 3.043 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.130 10.816 2.129 1.00 0.00 H new ATOM 83 N VAL A 9 5.499 12.583 1.332 1.00 0.00 N ATOM 84 CA VAL A 9 4.382 11.738 0.927 1.00 0.00 C ATOM 85 C VAL A 9 4.618 10.286 1.329 1.00 0.00 C ATOM 86 O VAL A 9 5.666 9.712 1.033 1.00 0.00 O ATOM 87 CB VAL A 9 4.147 11.807 -0.593 1.00 0.00 C ATOM 88 CG1 VAL A 9 2.979 10.920 -0.995 1.00 0.00 C ATOM 89 CG2 VAL A 9 3.910 13.245 -1.031 1.00 0.00 C ATOM 0 H VAL A 9 6.103 12.879 0.565 1.00 0.00 H new ATOM 0 HA VAL A 9 3.498 12.115 1.440 1.00 0.00 H new ATOM 0 HB VAL A 9 5.041 11.440 -1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.829 10.982 -2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.194 9.888 -0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.076 11.253 -0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.746 13.275 -2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.033 13.641 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.781 13.850 -0.780 1.00 0.00 H new ATOM 99 N PHE A 10 3.636 9.698 2.003 1.00 0.00 N ATOM 100 CA PHE A 10 3.736 8.312 2.446 1.00 0.00 C ATOM 101 C PHE A 10 2.740 7.429 1.700 1.00 0.00 C ATOM 102 O PHE A 10 1.991 7.904 0.846 1.00 0.00 O ATOM 103 CB PHE A 10 3.489 8.217 3.953 1.00 0.00 C ATOM 104 CG PHE A 10 4.721 8.454 4.779 1.00 0.00 C ATOM 105 CD1 PHE A 10 5.492 9.589 4.586 1.00 0.00 C ATOM 106 CD2 PHE A 10 5.108 7.542 5.747 1.00 0.00 C ATOM 107 CE1 PHE A 10 6.627 9.810 5.344 1.00 0.00 C ATOM 108 CE2 PHE A 10 6.241 7.758 6.508 1.00 0.00 C ATOM 109 CZ PHE A 10 7.002 8.893 6.306 1.00 0.00 C ATOM 0 H PHE A 10 2.762 10.159 2.255 1.00 0.00 H new ATOM 0 HA PHE A 10 4.744 7.959 2.227 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.727 8.944 4.235 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.089 7.230 4.186 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.203 10.309 3.835 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.518 6.652 5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.220 10.699 5.184 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.531 7.040 7.260 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.888 9.063 6.899 1.00 0.00 H new ATOM 119 N PHE A 11 2.739 6.141 2.027 1.00 0.00 N ATOM 120 CA PHE A 11 1.838 5.190 1.387 1.00 0.00 C ATOM 121 C PHE A 11 1.661 3.944 2.249 1.00 0.00 C ATOM 122 O PHE A 11 2.628 3.406 2.790 1.00 0.00 O ATOM 123 CB PHE A 11 2.371 4.799 0.007 1.00 0.00 C ATOM 124 CG PHE A 11 2.541 5.966 -0.923 1.00 0.00 C ATOM 125 CD1 PHE A 11 3.665 6.772 -0.845 1.00 0.00 C ATOM 126 CD2 PHE A 11 1.577 6.257 -1.874 1.00 0.00 C ATOM 127 CE1 PHE A 11 3.826 7.847 -1.700 1.00 0.00 C ATOM 128 CE2 PHE A 11 1.732 7.330 -2.732 1.00 0.00 C ATOM 129 CZ PHE A 11 2.857 8.127 -2.643 1.00 0.00 C ATOM 0 H PHE A 11 3.352 5.732 2.732 1.00 0.00 H new ATOM 0 HA PHE A 11 0.866 5.670 1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.331 4.297 0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.689 4.080 -0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.425 6.558 -0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.694 5.639 -1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.708 8.466 -1.630 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.974 7.545 -3.471 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.978 8.968 -3.310 1.00 0.00 H new ATOM 139 N THR A 12 0.418 3.488 2.373 1.00 0.00 N ATOM 140 CA THR A 12 0.113 2.307 3.170 1.00 0.00 C ATOM 141 C THR A 12 -0.226 1.116 2.280 1.00 0.00 C ATOM 142 O THR A 12 -1.334 1.019 1.752 1.00 0.00 O ATOM 143 CB THR A 12 -1.062 2.566 4.132 1.00 0.00 C ATOM 144 OG1 THR A 12 -0.631 3.390 5.221 1.00 0.00 O ATOM 145 CG2 THR A 12 -1.620 1.257 4.669 1.00 0.00 C ATOM 0 H THR A 12 -0.394 3.919 1.931 1.00 0.00 H new ATOM 0 HA THR A 12 1.006 2.080 3.753 1.00 0.00 H new ATOM 0 HB THR A 12 -1.849 3.078 3.579 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.384 3.551 5.827 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.449 1.465 5.346 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.974 0.645 3.840 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.838 0.721 5.207 1.00 0.00 H new ATOM 153 N CYS A 13 0.734 0.212 2.119 1.00 0.00 N ATOM 154 CA CYS A 13 0.537 -0.973 1.293 1.00 0.00 C ATOM 155 C CYS A 13 -0.733 -1.715 1.699 1.00 0.00 C ATOM 156 O CYS A 13 -1.098 -1.743 2.874 1.00 0.00 O ATOM 157 CB CYS A 13 1.745 -1.906 1.407 1.00 0.00 C ATOM 158 SG CYS A 13 1.775 -3.239 0.166 1.00 0.00 S ATOM 0 H CYS A 13 1.656 0.277 2.550 1.00 0.00 H new ATOM 0 HA CYS A 13 0.432 -0.650 0.257 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.657 -1.316 1.313 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.755 -2.350 2.402 1.00 0.00 H new ATOM 0 HG CYS A 13 2.940 -3.269 -0.410 1.00 0.00 H new ATOM 163 N ASN A 14 -1.401 -2.314 0.719 1.00 0.00 N ATOM 164 CA ASN A 14 -2.630 -3.056 0.974 1.00 0.00 C ATOM 165 C ASN A 14 -2.370 -4.560 0.969 1.00 0.00 C ATOM 166 O ASN A 14 -3.245 -5.353 1.312 1.00 0.00 O ATOM 167 CB ASN A 14 -3.688 -2.707 -0.074 1.00 0.00 C ATOM 168 CG ASN A 14 -4.937 -3.557 0.059 1.00 0.00 C ATOM 169 OD1 ASN A 14 -5.343 -3.915 1.165 1.00 0.00 O ATOM 170 ND2 ASN A 14 -5.553 -3.885 -1.071 1.00 0.00 N ATOM 0 H ASN A 14 -1.112 -2.300 -0.259 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.997 -2.772 1.960 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.956 -1.655 0.021 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.266 -2.840 -1.070 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.398 -4.456 -1.044 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.181 -3.566 -1.966 1.00 0.00 H new ATOM 177 N ALA A 15 -1.159 -4.943 0.578 1.00 0.00 N ATOM 178 CA ALA A 15 -0.782 -6.350 0.530 1.00 0.00 C ATOM 179 C ALA A 15 -0.325 -6.843 1.899 1.00 0.00 C ATOM 180 O ALA A 15 -0.885 -7.793 2.447 1.00 0.00 O ATOM 181 CB ALA A 15 0.313 -6.569 -0.504 1.00 0.00 C ATOM 0 H ALA A 15 -0.423 -4.299 0.290 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.661 -6.926 0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.584 -7.624 -0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.048 -6.264 -1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.188 -5.976 -0.239 1.00 0.00 H new ATOM 187 N CYS A 16 0.696 -6.192 2.446 1.00 0.00 N ATOM 188 CA CYS A 16 1.230 -6.564 3.751 1.00 0.00 C ATOM 189 C CYS A 16 0.720 -5.620 4.836 1.00 0.00 C ATOM 190 O CYS A 16 0.522 -6.023 5.982 1.00 0.00 O ATOM 191 CB CYS A 16 2.760 -6.548 3.723 1.00 0.00 C ATOM 192 SG CYS A 16 3.478 -4.942 3.251 1.00 0.00 S ATOM 0 H CYS A 16 1.170 -5.404 2.006 1.00 0.00 H new ATOM 0 HA CYS A 16 0.888 -7.573 3.982 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.134 -6.825 4.709 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.108 -7.309 3.024 1.00 0.00 H new ATOM 0 HG CYS A 16 2.899 -4.508 2.171 1.00 0.00 H new ATOM 197 N GLY A 17 0.510 -4.360 4.466 1.00 0.00 N ATOM 198 CA GLY A 17 0.026 -3.378 5.419 1.00 0.00 C ATOM 199 C GLY A 17 1.147 -2.736 6.211 1.00 0.00 C ATOM 200 O GLY A 17 1.167 -2.807 7.439 1.00 0.00 O ATOM 0 H GLY A 17 0.666 -4.002 3.524 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.529 -2.604 4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.672 -3.856 6.106 1.00 0.00 H new ATOM 204 N GLU A 18 2.084 -2.109 5.506 1.00 0.00 N ATOM 205 CA GLU A 18 3.215 -1.454 6.152 1.00 0.00 C ATOM 206 C GLU A 18 3.371 -0.020 5.653 1.00 0.00 C ATOM 207 O GLU A 18 3.129 0.271 4.482 1.00 0.00 O ATOM 208 CB GLU A 18 4.503 -2.238 5.892 1.00 0.00 C ATOM 209 CG GLU A 18 4.694 -3.421 6.827 1.00 0.00 C ATOM 210 CD GLU A 18 5.272 -3.016 8.169 1.00 0.00 C ATOM 211 OE1 GLU A 18 6.218 -2.200 8.187 1.00 0.00 O ATOM 212 OE2 GLU A 18 4.779 -3.515 9.202 1.00 0.00 O ATOM 0 H GLU A 18 2.082 -2.041 4.488 1.00 0.00 H new ATOM 0 HA GLU A 18 3.023 -1.429 7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.499 -2.596 4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.355 -1.565 5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.735 -3.915 6.983 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.354 -4.149 6.356 1.00 0.00 H new ATOM 219 N SER A 19 3.775 0.872 6.552 1.00 0.00 N ATOM 220 CA SER A 19 3.959 2.276 6.206 1.00 0.00 C ATOM 221 C SER A 19 5.235 2.473 5.394 1.00 0.00 C ATOM 222 O SER A 19 6.341 2.426 5.932 1.00 0.00 O ATOM 223 CB SER A 19 4.010 3.133 7.473 1.00 0.00 C ATOM 224 OG SER A 19 5.006 2.665 8.365 1.00 0.00 O ATOM 0 H SER A 19 3.981 0.647 7.525 1.00 0.00 H new ATOM 0 HA SER A 19 3.110 2.589 5.598 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.214 4.170 7.206 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.038 3.116 7.967 1.00 0.00 H new ATOM 0 HG SER A 19 5.829 2.478 7.867 1.00 0.00 H new ATOM 230 N VAL A 20 5.073 2.693 4.093 1.00 0.00 N ATOM 231 CA VAL A 20 6.211 2.899 3.205 1.00 0.00 C ATOM 232 C VAL A 20 6.272 4.341 2.714 1.00 0.00 C ATOM 233 O VAL A 20 5.266 4.905 2.284 1.00 0.00 O ATOM 234 CB VAL A 20 6.151 1.956 1.988 1.00 0.00 C ATOM 235 CG1 VAL A 20 7.324 2.211 1.055 1.00 0.00 C ATOM 236 CG2 VAL A 20 6.125 0.504 2.441 1.00 0.00 C ATOM 0 H VAL A 20 4.165 2.733 3.631 1.00 0.00 H new ATOM 0 HA VAL A 20 7.108 2.677 3.784 1.00 0.00 H new ATOM 0 HB VAL A 20 5.232 2.158 1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.264 1.535 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.292 3.242 0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.258 2.038 1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.083 -0.149 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.026 0.286 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.248 0.333 3.065 1.00 0.00 H new ATOM 246 N LYS A 21 7.460 4.933 2.780 1.00 0.00 N ATOM 247 CA LYS A 21 7.655 6.309 2.341 1.00 0.00 C ATOM 248 C LYS A 21 7.565 6.414 0.822 1.00 0.00 C ATOM 249 O LYS A 21 7.405 5.409 0.128 1.00 0.00 O ATOM 250 CB LYS A 21 9.011 6.832 2.819 1.00 0.00 C ATOM 251 CG LYS A 21 8.984 7.391 4.231 1.00 0.00 C ATOM 252 CD LYS A 21 10.349 7.908 4.652 1.00 0.00 C ATOM 253 CE LYS A 21 11.195 6.807 5.274 1.00 0.00 C ATOM 254 NZ LYS A 21 12.350 7.358 6.036 1.00 0.00 N ATOM 0 H LYS A 21 8.303 4.480 3.134 1.00 0.00 H new ATOM 0 HA LYS A 21 6.863 6.918 2.777 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.740 6.023 2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.352 7.610 2.136 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.254 8.198 4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.658 6.616 4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.866 8.320 3.786 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.226 8.722 5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.576 6.205 5.939 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.560 6.143 4.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.901 6.576 6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.955 7.912 5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.001 7.971 6.800 1.00 0.00 H new ATOM 268 N LYS A 22 7.669 7.635 0.310 1.00 0.00 N ATOM 269 CA LYS A 22 7.603 7.871 -1.127 1.00 0.00 C ATOM 270 C LYS A 22 8.816 7.274 -1.834 1.00 0.00 C ATOM 271 O LYS A 22 8.687 6.651 -2.888 1.00 0.00 O ATOM 272 CB LYS A 22 7.519 9.372 -1.415 1.00 0.00 C ATOM 273 CG LYS A 22 7.458 9.705 -2.896 1.00 0.00 C ATOM 274 CD LYS A 22 7.827 11.156 -3.157 1.00 0.00 C ATOM 275 CE LYS A 22 7.535 11.555 -4.595 1.00 0.00 C ATOM 276 NZ LYS A 22 8.467 10.898 -5.553 1.00 0.00 N ATOM 0 H LYS A 22 7.800 8.478 0.870 1.00 0.00 H new ATOM 0 HA LYS A 22 6.706 7.383 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.636 9.779 -0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.385 9.867 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.136 9.052 -3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.454 9.511 -3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.270 11.802 -2.479 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.885 11.307 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.509 11.287 -4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.615 12.637 -4.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.235 11.196 -6.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.445 11.174 -5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.373 9.865 -5.476 1.00 0.00 H new ATOM 290 N ILE A 23 9.992 7.468 -1.246 1.00 0.00 N ATOM 291 CA ILE A 23 11.226 6.946 -1.818 1.00 0.00 C ATOM 292 C ILE A 23 11.506 5.531 -1.324 1.00 0.00 C ATOM 293 O ILE A 23 12.374 4.838 -1.855 1.00 0.00 O ATOM 294 CB ILE A 23 12.429 7.845 -1.476 1.00 0.00 C ATOM 295 CG1 ILE A 23 12.814 7.681 -0.004 1.00 0.00 C ATOM 296 CG2 ILE A 23 12.109 9.299 -1.787 1.00 0.00 C ATOM 297 CD1 ILE A 23 11.847 8.345 0.951 1.00 0.00 C ATOM 0 H ILE A 23 10.116 7.983 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 23 11.090 6.930 -2.899 1.00 0.00 H new ATOM 0 HB ILE A 23 13.277 7.541 -2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 23 12.873 6.618 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 23 13.809 8.097 0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.969 9.922 -1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.879 9.402 -2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.249 9.617 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.183 8.188 1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.806 9.414 0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.855 7.912 0.824 1.00 0.00 H new ATOM 309 N GLN A 24 10.764 5.108 -0.305 1.00 0.00 N ATOM 310 CA GLN A 24 10.933 3.775 0.261 1.00 0.00 C ATOM 311 C GLN A 24 10.330 2.715 -0.656 1.00 0.00 C ATOM 312 O GLN A 24 10.884 1.627 -0.813 1.00 0.00 O ATOM 313 CB GLN A 24 10.284 3.699 1.644 1.00 0.00 C ATOM 314 CG GLN A 24 11.204 4.136 2.772 1.00 0.00 C ATOM 315 CD GLN A 24 12.396 3.214 2.944 1.00 0.00 C ATOM 316 OE1 GLN A 24 12.294 2.160 3.572 1.00 0.00 O ATOM 317 NE2 GLN A 24 13.534 3.607 2.385 1.00 0.00 N ATOM 0 H GLN A 24 10.041 5.669 0.145 1.00 0.00 H new ATOM 0 HA GLN A 24 12.001 3.581 0.358 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.391 4.324 1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.958 2.675 1.828 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.558 5.148 2.576 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.639 4.171 3.704 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.573 4.489 1.873 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.369 3.027 2.467 1.00 0.00 H new ATOM 326 N VAL A 25 9.190 3.040 -1.258 1.00 0.00 N ATOM 327 CA VAL A 25 8.511 2.116 -2.159 1.00 0.00 C ATOM 328 C VAL A 25 9.515 1.301 -2.968 1.00 0.00 C ATOM 329 O VAL A 25 9.496 0.071 -2.939 1.00 0.00 O ATOM 330 CB VAL A 25 7.574 2.863 -3.127 1.00 0.00 C ATOM 331 CG1 VAL A 25 6.968 1.898 -4.134 1.00 0.00 C ATOM 332 CG2 VAL A 25 6.486 3.595 -2.356 1.00 0.00 C ATOM 0 H VAL A 25 8.717 3.936 -1.138 1.00 0.00 H new ATOM 0 HA VAL A 25 7.919 1.445 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 25 8.159 3.602 -3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.309 2.443 -4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.764 1.424 -4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.396 1.134 -3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.833 4.117 -3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.901 2.877 -1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.943 4.316 -1.678 1.00 0.00 H new ATOM 342 N GLU A 26 10.389 1.996 -3.689 1.00 0.00 N ATOM 343 CA GLU A 26 11.400 1.335 -4.506 1.00 0.00 C ATOM 344 C GLU A 26 11.904 0.065 -3.827 1.00 0.00 C ATOM 345 O GLU A 26 11.790 -1.032 -4.374 1.00 0.00 O ATOM 346 CB GLU A 26 12.571 2.283 -4.772 1.00 0.00 C ATOM 347 CG GLU A 26 12.286 3.315 -5.850 1.00 0.00 C ATOM 348 CD GLU A 26 13.520 4.106 -6.242 1.00 0.00 C ATOM 349 OE1 GLU A 26 14.619 3.514 -6.270 1.00 0.00 O ATOM 350 OE2 GLU A 26 13.386 5.316 -6.519 1.00 0.00 O ATOM 0 H GLU A 26 10.417 3.015 -3.724 1.00 0.00 H new ATOM 0 HA GLU A 26 10.940 1.060 -5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.828 2.798 -3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.443 1.697 -5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.886 2.813 -6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.516 4.001 -5.496 1.00 0.00 H new ATOM 357 N LYS A 27 12.463 0.222 -2.632 1.00 0.00 N ATOM 358 CA LYS A 27 12.984 -0.911 -1.876 1.00 0.00 C ATOM 359 C LYS A 27 11.873 -1.904 -1.548 1.00 0.00 C ATOM 360 O LYS A 27 11.926 -3.065 -1.954 1.00 0.00 O ATOM 361 CB LYS A 27 13.647 -0.427 -0.585 1.00 0.00 C ATOM 362 CG LYS A 27 14.540 -1.468 0.068 1.00 0.00 C ATOM 363 CD LYS A 27 14.741 -1.182 1.547 1.00 0.00 C ATOM 364 CE LYS A 27 15.939 -1.937 2.102 1.00 0.00 C ATOM 365 NZ LYS A 27 15.716 -3.409 2.103 1.00 0.00 N ATOM 0 H LYS A 27 12.567 1.123 -2.166 1.00 0.00 H new ATOM 0 HA LYS A 27 13.728 -1.416 -2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.239 0.462 -0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.872 -0.130 0.122 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.098 -2.457 -0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.507 -1.486 -0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.883 -0.112 1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.844 -1.464 2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.822 -1.704 1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.141 -1.600 3.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.555 -3.887 2.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.888 -3.634 2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.548 -3.735 1.130 1.00 0.00 H new ATOM 379 N HIS A 28 10.868 -1.439 -0.813 1.00 0.00 N ATOM 380 CA HIS A 28 9.743 -2.286 -0.433 1.00 0.00 C ATOM 381 C HIS A 28 9.391 -3.257 -1.555 1.00 0.00 C ATOM 382 O HIS A 28 9.374 -4.472 -1.357 1.00 0.00 O ATOM 383 CB HIS A 28 8.527 -1.429 -0.084 1.00 0.00 C ATOM 384 CG HIS A 28 7.399 -2.207 0.522 1.00 0.00 C ATOM 385 ND1 HIS A 28 7.297 -2.454 1.875 1.00 0.00 N ATOM 386 CD2 HIS A 28 6.321 -2.793 -0.049 1.00 0.00 C ATOM 387 CE1 HIS A 28 6.205 -3.160 2.110 1.00 0.00 C ATOM 388 NE2 HIS A 28 5.595 -3.379 0.959 1.00 0.00 N ATOM 0 H HIS A 28 10.810 -0.481 -0.469 1.00 0.00 H new ATOM 0 HA HIS A 28 10.035 -2.863 0.445 1.00 0.00 H new ATOM 0 HB2 HIS A 28 8.832 -0.646 0.611 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.171 -0.933 -0.987 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.077 -2.799 -1.101 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.869 -3.500 3.078 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.726 -3.899 0.838 1.00 0.00 H new ATOM 396 N VAL A 29 9.109 -2.714 -2.735 1.00 0.00 N ATOM 397 CA VAL A 29 8.757 -3.532 -3.890 1.00 0.00 C ATOM 398 C VAL A 29 9.651 -4.763 -3.983 1.00 0.00 C ATOM 399 O VAL A 29 9.177 -5.867 -4.254 1.00 0.00 O ATOM 400 CB VAL A 29 8.867 -2.730 -5.200 1.00 0.00 C ATOM 401 CG1 VAL A 29 8.427 -3.578 -6.384 1.00 0.00 C ATOM 402 CG2 VAL A 29 8.045 -1.453 -5.114 1.00 0.00 C ATOM 0 H VAL A 29 9.117 -1.710 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 29 7.723 -3.847 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 29 9.911 -2.454 -5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.512 -2.995 -7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.063 -4.461 -6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.391 -3.887 -6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.135 -0.899 -6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.999 -1.705 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.412 -0.839 -4.292 1.00 0.00 H new ATOM 412 N SER A 30 10.946 -4.566 -3.758 1.00 0.00 N ATOM 413 CA SER A 30 11.907 -5.661 -3.820 1.00 0.00 C ATOM 414 C SER A 30 11.466 -6.823 -2.935 1.00 0.00 C ATOM 415 O SER A 30 11.543 -7.984 -3.332 1.00 0.00 O ATOM 416 CB SER A 30 13.293 -5.175 -3.391 1.00 0.00 C ATOM 417 OG SER A 30 14.315 -5.937 -4.010 1.00 0.00 O ATOM 0 H SER A 30 11.354 -3.659 -3.531 1.00 0.00 H new ATOM 0 HA SER A 30 11.955 -6.011 -4.851 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.410 -4.123 -3.653 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.388 -5.246 -2.307 1.00 0.00 H new ATOM 0 HG SER A 30 15.191 -5.606 -3.721 1.00 0.00 H new ATOM 423 N ASN A 31 11.004 -6.499 -1.731 1.00 0.00 N ATOM 424 CA ASN A 31 10.551 -7.515 -0.788 1.00 0.00 C ATOM 425 C ASN A 31 9.101 -7.903 -1.062 1.00 0.00 C ATOM 426 O ASN A 31 8.793 -9.074 -1.286 1.00 0.00 O ATOM 427 CB ASN A 31 10.691 -7.006 0.648 1.00 0.00 C ATOM 428 CG ASN A 31 12.141 -6.862 1.072 1.00 0.00 C ATOM 429 OD1 ASN A 31 12.601 -5.765 1.388 1.00 0.00 O ATOM 430 ND2 ASN A 31 12.868 -7.973 1.078 1.00 0.00 N ATOM 0 H ASN A 31 10.934 -5.542 -1.386 1.00 0.00 H new ATOM 0 HA ASN A 31 11.176 -8.399 -0.916 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.191 -6.042 0.739 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.184 -7.693 1.325 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.850 -7.939 1.352 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.445 -8.861 0.808 1.00 0.00 H new ATOM 437 N CYS A 32 8.215 -6.913 -1.043 1.00 0.00 N ATOM 438 CA CYS A 32 6.798 -7.150 -1.289 1.00 0.00 C ATOM 439 C CYS A 32 6.546 -7.457 -2.763 1.00 0.00 C ATOM 440 O CYS A 32 6.670 -6.581 -3.619 1.00 0.00 O ATOM 441 CB CYS A 32 5.974 -5.934 -0.862 1.00 0.00 C ATOM 442 SG CYS A 32 4.250 -6.321 -0.421 1.00 0.00 S ATOM 0 H CYS A 32 8.454 -5.938 -0.860 1.00 0.00 H new ATOM 0 HA CYS A 32 6.492 -8.013 -0.698 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.459 -5.462 -0.008 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.975 -5.205 -1.672 1.00 0.00 H new ATOM 0 HG CYS A 32 4.003 -5.894 0.782 1.00 0.00 H new ATOM 447 N ARG A 33 6.191 -8.705 -3.049 1.00 0.00 N ATOM 448 CA ARG A 33 5.922 -9.127 -4.419 1.00 0.00 C ATOM 449 C ARG A 33 4.427 -9.081 -4.718 1.00 0.00 C ATOM 450 O ARG A 33 4.018 -8.858 -5.857 1.00 0.00 O ATOM 451 CB ARG A 33 6.457 -10.541 -4.653 1.00 0.00 C ATOM 452 CG ARG A 33 7.955 -10.593 -4.901 1.00 0.00 C ATOM 453 CD ARG A 33 8.279 -10.472 -6.382 1.00 0.00 C ATOM 454 NE ARG A 33 9.717 -10.405 -6.625 1.00 0.00 N ATOM 455 CZ ARG A 33 10.446 -9.312 -6.427 1.00 0.00 C ATOM 456 NH1 ARG A 33 9.873 -8.200 -5.985 1.00 0.00 N ATOM 457 NH2 ARG A 33 11.750 -9.329 -6.670 1.00 0.00 N ATOM 0 H ARG A 33 6.083 -9.441 -2.351 1.00 0.00 H new ATOM 0 HA ARG A 33 6.431 -8.437 -5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.219 -11.158 -3.786 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.941 -10.979 -5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.444 -9.787 -4.353 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.357 -11.530 -4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.861 -11.326 -6.915 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.801 -9.579 -6.786 1.00 0.00 H new ATOM 0 HE ARG A 33 10.188 -11.243 -6.965 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.871 -8.183 -5.796 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.435 -7.362 -5.834 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.194 -10.182 -7.009 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.308 -8.489 -6.517 1.00 0.00 H new ATOM 471 N ASN A 34 3.615 -9.294 -3.687 1.00 0.00 N ATOM 472 CA ASN A 34 2.165 -9.278 -3.840 1.00 0.00 C ATOM 473 C ASN A 34 1.655 -7.853 -4.037 1.00 0.00 C ATOM 474 O ASN A 34 0.534 -7.643 -4.502 1.00 0.00 O ATOM 475 CB ASN A 34 1.495 -9.907 -2.617 1.00 0.00 C ATOM 476 CG ASN A 34 1.544 -11.422 -2.646 1.00 0.00 C ATOM 477 OD1 ASN A 34 2.144 -12.052 -1.775 1.00 0.00 O ATOM 478 ND2 ASN A 34 0.912 -12.015 -3.652 1.00 0.00 N ATOM 0 H ASN A 34 3.937 -9.480 -2.737 1.00 0.00 H new ATOM 0 HA ASN A 34 1.911 -9.862 -4.725 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.986 -9.548 -1.712 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.456 -9.581 -2.567 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.911 -13.032 -3.725 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.427 -11.453 -4.352 1.00 0.00 H new ATOM 485 N CYS A 35 2.484 -6.879 -3.679 1.00 0.00 N ATOM 486 CA CYS A 35 2.117 -5.474 -3.816 1.00 0.00 C ATOM 487 C CYS A 35 1.734 -5.150 -5.257 1.00 0.00 C ATOM 488 O CYS A 35 2.448 -5.507 -6.193 1.00 0.00 O ATOM 489 CB CYS A 35 3.272 -4.578 -3.369 1.00 0.00 C ATOM 490 SG CYS A 35 3.059 -2.832 -3.790 1.00 0.00 S ATOM 0 H CYS A 35 3.414 -7.036 -3.292 1.00 0.00 H new ATOM 0 HA CYS A 35 1.253 -5.286 -3.178 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.391 -4.668 -2.289 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.195 -4.940 -3.822 1.00 0.00 H new ATOM 0 HG CYS A 35 4.086 -2.156 -3.369 1.00 0.00 H new ATOM 496 N GLU A 36 0.603 -4.472 -5.425 1.00 0.00 N ATOM 497 CA GLU A 36 0.125 -4.102 -6.752 1.00 0.00 C ATOM 498 C GLU A 36 -0.303 -2.638 -6.788 1.00 0.00 C ATOM 499 O GLU A 36 -0.054 -1.931 -7.766 1.00 0.00 O ATOM 500 CB GLU A 36 -1.046 -4.997 -7.164 1.00 0.00 C ATOM 501 CG GLU A 36 -1.145 -5.217 -8.664 1.00 0.00 C ATOM 502 CD GLU A 36 -1.004 -3.930 -9.453 1.00 0.00 C ATOM 503 OE1 GLU A 36 -1.920 -3.085 -9.379 1.00 0.00 O ATOM 504 OE2 GLU A 36 0.023 -3.768 -10.145 1.00 0.00 O ATOM 0 H GLU A 36 0.001 -4.168 -4.660 1.00 0.00 H new ATOM 0 HA GLU A 36 0.945 -4.240 -7.457 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.946 -5.963 -6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.975 -4.552 -6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.370 -5.917 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.105 -5.678 -8.897 1.00 0.00 H new ATOM 511 N CYS A 37 -0.947 -2.190 -5.716 1.00 0.00 N ATOM 512 CA CYS A 37 -1.411 -0.810 -5.624 1.00 0.00 C ATOM 513 C CYS A 37 -1.037 -0.199 -4.278 1.00 0.00 C ATOM 514 O CYS A 37 -0.893 -0.908 -3.281 1.00 0.00 O ATOM 515 CB CYS A 37 -2.926 -0.745 -5.824 1.00 0.00 C ATOM 516 SG CYS A 37 -3.566 0.927 -6.081 1.00 0.00 S ATOM 0 H CYS A 37 -1.160 -2.762 -4.899 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.923 -0.235 -6.411 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.195 -1.361 -6.682 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.416 -1.180 -4.953 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.505 0.899 -6.980 1.00 0.00 H new ATOM 522 N LEU A 38 -0.879 1.120 -4.256 1.00 0.00 N ATOM 523 CA LEU A 38 -0.520 1.827 -3.032 1.00 0.00 C ATOM 524 C LEU A 38 -1.492 2.970 -2.758 1.00 0.00 C ATOM 525 O LEU A 38 -1.990 3.610 -3.684 1.00 0.00 O ATOM 526 CB LEU A 38 0.907 2.370 -3.133 1.00 0.00 C ATOM 527 CG LEU A 38 2.024 1.325 -3.127 1.00 0.00 C ATOM 528 CD1 LEU A 38 3.320 1.928 -3.646 1.00 0.00 C ATOM 529 CD2 LEU A 38 2.219 0.760 -1.728 1.00 0.00 C ATOM 0 H LEU A 38 -0.994 1.721 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.576 1.120 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.988 2.954 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.073 3.056 -2.302 1.00 0.00 H new ATOM 0 HG LEU A 38 1.736 0.509 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.104 1.171 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.173 2.283 -4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.613 2.763 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.018 0.018 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.485 1.566 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.294 0.291 -1.393 1.00 0.00 H new ATOM 541 N SER A 39 -1.756 3.223 -1.480 1.00 0.00 N ATOM 542 CA SER A 39 -2.670 4.288 -1.084 1.00 0.00 C ATOM 543 C SER A 39 -1.943 5.352 -0.268 1.00 0.00 C ATOM 544 O SER A 39 -1.310 5.050 0.744 1.00 0.00 O ATOM 545 CB SER A 39 -3.834 3.715 -0.274 1.00 0.00 C ATOM 546 OG SER A 39 -4.869 3.252 -1.125 1.00 0.00 O ATOM 0 H SER A 39 -1.350 2.705 -0.701 1.00 0.00 H new ATOM 0 HA SER A 39 -3.061 4.753 -1.989 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.478 2.895 0.350 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.225 4.480 0.397 1.00 0.00 H new ATOM 0 HG SER A 39 -5.600 2.889 -0.583 1.00 0.00 H new ATOM 552 N CYS A 40 -2.038 6.599 -0.716 1.00 0.00 N ATOM 553 CA CYS A 40 -1.390 7.710 -0.029 1.00 0.00 C ATOM 554 C CYS A 40 -2.170 8.106 1.221 1.00 0.00 C ATOM 555 O CYS A 40 -3.398 8.186 1.200 1.00 0.00 O ATOM 556 CB CYS A 40 -1.264 8.913 -0.967 1.00 0.00 C ATOM 557 SG CYS A 40 -0.393 10.337 -0.237 1.00 0.00 S ATOM 0 H CYS A 40 -2.558 6.866 -1.552 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.394 7.387 0.273 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.738 8.603 -1.870 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.262 9.228 -1.272 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.335 11.302 -1.106 1.00 0.00 H new ATOM 562 N ILE A 41 -1.447 8.353 2.309 1.00 0.00 N ATOM 563 CA ILE A 41 -2.071 8.742 3.568 1.00 0.00 C ATOM 564 C ILE A 41 -2.020 10.254 3.762 1.00 0.00 C ATOM 565 O ILE A 41 -2.848 10.827 4.470 1.00 0.00 O ATOM 566 CB ILE A 41 -1.390 8.058 4.768 1.00 0.00 C ATOM 567 CG1 ILE A 41 0.096 8.419 4.813 1.00 0.00 C ATOM 568 CG2 ILE A 41 -1.573 6.550 4.692 1.00 0.00 C ATOM 569 CD1 ILE A 41 0.830 7.809 5.986 1.00 0.00 C ATOM 0 H ILE A 41 -0.430 8.291 2.344 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.111 8.419 3.519 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.859 8.415 5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.570 8.091 3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.197 9.503 4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.086 6.081 5.547 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.637 6.311 4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.128 6.175 3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.878 8.107 5.954 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.382 8.157 6.917 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.760 6.722 5.934 1.00 0.00 H new ATOM 581 N ASP A 42 -1.044 10.894 3.128 1.00 0.00 N ATOM 582 CA ASP A 42 -0.887 12.340 3.229 1.00 0.00 C ATOM 583 C ASP A 42 -2.151 13.058 2.768 1.00 0.00 C ATOM 584 O ASP A 42 -2.443 14.170 3.209 1.00 0.00 O ATOM 585 CB ASP A 42 0.310 12.803 2.396 1.00 0.00 C ATOM 586 CG ASP A 42 0.760 14.205 2.760 1.00 0.00 C ATOM 587 OD1 ASP A 42 0.572 14.605 3.928 1.00 0.00 O ATOM 588 OD2 ASP A 42 1.301 14.901 1.876 1.00 0.00 O ATOM 0 H ASP A 42 -0.350 10.434 2.539 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.711 12.589 4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.139 12.110 2.539 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.047 12.772 1.339 1.00 0.00 H new ATOM 593 N CYS A 43 -2.899 12.415 1.877 1.00 0.00 N ATOM 594 CA CYS A 43 -4.132 12.992 1.354 1.00 0.00 C ATOM 595 C CYS A 43 -5.259 11.963 1.360 1.00 0.00 C ATOM 596 O CYS A 43 -6.393 12.271 1.723 1.00 0.00 O ATOM 597 CB CYS A 43 -3.912 13.515 -0.066 1.00 0.00 C ATOM 598 SG CYS A 43 -3.383 12.240 -1.255 1.00 0.00 S ATOM 0 H CYS A 43 -2.673 11.494 1.502 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.418 13.822 2.000 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.837 13.967 -0.422 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.161 14.305 -0.039 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.314 11.649 -0.811 1.00 0.00 H new ATOM 603 N GLY A 44 -4.937 10.738 0.956 1.00 0.00 N ATOM 604 CA GLY A 44 -5.932 9.682 0.922 1.00 0.00 C ATOM 605 C GLY A 44 -6.391 9.362 -0.486 1.00 0.00 C ATOM 606 O GLY A 44 -7.576 9.472 -0.801 1.00 0.00 O ATOM 0 H GLY A 44 -4.005 10.458 0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.519 8.783 1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.792 9.978 1.523 1.00 0.00 H new ATOM 610 N LYS A 45 -5.451 8.968 -1.338 1.00 0.00 N ATOM 611 CA LYS A 45 -5.764 8.632 -2.722 1.00 0.00 C ATOM 612 C LYS A 45 -5.252 7.238 -3.072 1.00 0.00 C ATOM 613 O LYS A 45 -4.504 6.630 -2.306 1.00 0.00 O ATOM 614 CB LYS A 45 -5.151 9.665 -3.671 1.00 0.00 C ATOM 615 CG LYS A 45 -5.967 10.940 -3.790 1.00 0.00 C ATOM 616 CD LYS A 45 -5.682 11.665 -5.095 1.00 0.00 C ATOM 617 CE LYS A 45 -6.597 11.184 -6.211 1.00 0.00 C ATOM 618 NZ LYS A 45 -6.608 12.127 -7.363 1.00 0.00 N ATOM 0 H LYS A 45 -4.465 8.873 -1.094 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.848 8.642 -2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.149 9.916 -3.323 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.043 9.219 -4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.029 10.700 -3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.741 11.597 -2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.813 12.738 -4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.642 11.506 -5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.271 10.201 -6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.610 11.069 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.243 11.764 -8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.943 13.059 -7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.646 12.217 -7.747 1.00 0.00 H new ATOM 632 N ASP A 46 -5.659 6.738 -4.234 1.00 0.00 N ATOM 633 CA ASP A 46 -5.240 5.417 -4.687 1.00 0.00 C ATOM 634 C ASP A 46 -4.455 5.513 -5.991 1.00 0.00 C ATOM 635 O ASP A 46 -4.724 6.376 -6.828 1.00 0.00 O ATOM 636 CB ASP A 46 -6.456 4.509 -4.875 1.00 0.00 C ATOM 637 CG ASP A 46 -7.190 4.247 -3.574 1.00 0.00 C ATOM 638 OD1 ASP A 46 -7.460 5.220 -2.839 1.00 0.00 O ATOM 639 OD2 ASP A 46 -7.493 3.069 -3.290 1.00 0.00 O ATOM 0 H ASP A 46 -6.279 7.228 -4.879 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.591 4.988 -3.924 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.141 4.967 -5.589 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.134 3.560 -5.305 1.00 0.00 H new ATOM 644 N PHE A 47 -3.483 4.623 -6.158 1.00 0.00 N ATOM 645 CA PHE A 47 -2.657 4.609 -7.360 1.00 0.00 C ATOM 646 C PHE A 47 -2.265 3.183 -7.734 1.00 0.00 C ATOM 647 O PHE A 47 -1.411 2.574 -7.089 1.00 0.00 O ATOM 648 CB PHE A 47 -1.402 5.458 -7.152 1.00 0.00 C ATOM 649 CG PHE A 47 -1.696 6.893 -6.821 1.00 0.00 C ATOM 650 CD1 PHE A 47 -2.077 7.783 -7.812 1.00 0.00 C ATOM 651 CD2 PHE A 47 -1.592 7.352 -5.518 1.00 0.00 C ATOM 652 CE1 PHE A 47 -2.349 9.104 -7.511 1.00 0.00 C ATOM 653 CE2 PHE A 47 -1.863 8.672 -5.210 1.00 0.00 C ATOM 654 CZ PHE A 47 -2.241 9.549 -6.208 1.00 0.00 C ATOM 0 H PHE A 47 -3.248 3.902 -5.476 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.241 5.032 -8.177 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.808 5.023 -6.348 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.793 5.419 -8.055 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.163 7.440 -8.833 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.296 6.671 -4.734 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.645 9.787 -8.293 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.779 9.017 -4.190 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.452 10.581 -5.970 1.00 0.00 H new ATOM 664 N TRP A 48 -2.894 2.657 -8.778 1.00 0.00 N ATOM 665 CA TRP A 48 -2.611 1.301 -9.238 1.00 0.00 C ATOM 666 C TRP A 48 -1.463 1.295 -10.242 1.00 0.00 C ATOM 667 O TRP A 48 -1.237 2.278 -10.946 1.00 0.00 O ATOM 668 CB TRP A 48 -3.860 0.684 -9.869 1.00 0.00 C ATOM 669 CG TRP A 48 -5.000 0.536 -8.907 1.00 0.00 C ATOM 670 CD1 TRP A 48 -5.867 1.513 -8.508 1.00 0.00 C ATOM 671 CD2 TRP A 48 -5.395 -0.658 -8.223 1.00 0.00 C ATOM 672 NE1 TRP A 48 -6.777 0.998 -7.617 1.00 0.00 N ATOM 673 CE2 TRP A 48 -6.509 -0.332 -7.426 1.00 0.00 C ATOM 674 CE3 TRP A 48 -4.916 -1.971 -8.207 1.00 0.00 C ATOM 675 CZ2 TRP A 48 -7.150 -1.272 -6.622 1.00 0.00 C ATOM 676 CZ3 TRP A 48 -5.553 -2.902 -7.409 1.00 0.00 C ATOM 677 CH2 TRP A 48 -6.660 -2.549 -6.626 1.00 0.00 C ATOM 0 H TRP A 48 -3.603 3.148 -9.323 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.316 0.705 -8.374 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.179 1.304 -10.707 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.607 -0.295 -10.275 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.841 2.539 -8.844 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.530 1.521 -7.170 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.064 -2.253 -8.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.003 -1.002 -6.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -5.191 -3.919 -7.388 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -7.136 -3.300 -6.013 1.00 0.00 H new ATOM 688 N GLY A 49 -0.741 0.181 -10.302 1.00 0.00 N ATOM 689 CA GLY A 49 0.375 0.069 -11.223 1.00 0.00 C ATOM 690 C GLY A 49 1.489 1.047 -10.906 1.00 0.00 C ATOM 691 O GLY A 49 1.657 1.456 -9.757 1.00 0.00 O ATOM 0 H GLY A 49 -0.909 -0.646 -9.729 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.768 -0.947 -11.191 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.022 0.242 -12.240 1.00 0.00 H new ATOM 695 N ASP A 50 2.254 1.420 -11.926 1.00 0.00 N ATOM 696 CA ASP A 50 3.359 2.356 -11.751 1.00 0.00 C ATOM 697 C ASP A 50 2.853 3.795 -11.724 1.00 0.00 C ATOM 698 O ASP A 50 3.437 4.680 -12.348 1.00 0.00 O ATOM 699 CB ASP A 50 4.384 2.183 -12.873 1.00 0.00 C ATOM 700 CG ASP A 50 5.338 1.034 -12.613 1.00 0.00 C ATOM 701 OD1 ASP A 50 6.391 1.268 -11.984 1.00 0.00 O ATOM 702 OD2 ASP A 50 5.032 -0.099 -13.040 1.00 0.00 O ATOM 0 H ASP A 50 2.129 1.089 -12.883 1.00 0.00 H new ATOM 0 HA ASP A 50 3.838 2.141 -10.796 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.862 2.012 -13.815 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.953 3.106 -12.987 1.00 0.00 H new ATOM 707 N ASP A 51 1.764 4.020 -10.997 1.00 0.00 N ATOM 708 CA ASP A 51 1.179 5.352 -10.889 1.00 0.00 C ATOM 709 C ASP A 51 1.705 6.077 -9.654 1.00 0.00 C ATOM 710 O ASP A 51 1.738 7.307 -9.611 1.00 0.00 O ATOM 711 CB ASP A 51 -0.346 5.259 -10.830 1.00 0.00 C ATOM 712 CG ASP A 51 -0.966 5.038 -12.196 1.00 0.00 C ATOM 713 OD1 ASP A 51 -0.364 4.306 -13.010 1.00 0.00 O ATOM 714 OD2 ASP A 51 -2.053 5.596 -12.451 1.00 0.00 O ATOM 0 H ASP A 51 1.269 3.298 -10.474 1.00 0.00 H new ATOM 0 HA ASP A 51 1.466 5.921 -11.773 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.632 4.442 -10.168 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.746 6.175 -10.396 1.00 0.00 H new ATOM 719 N TYR A 52 2.113 5.307 -8.651 1.00 0.00 N ATOM 720 CA TYR A 52 2.634 5.877 -7.414 1.00 0.00 C ATOM 721 C TYR A 52 3.850 6.755 -7.688 1.00 0.00 C ATOM 722 O TYR A 52 4.001 7.828 -7.104 1.00 0.00 O ATOM 723 CB TYR A 52 3.006 4.763 -6.433 1.00 0.00 C ATOM 724 CG TYR A 52 4.045 3.806 -6.969 1.00 0.00 C ATOM 725 CD1 TYR A 52 3.677 2.709 -7.739 1.00 0.00 C ATOM 726 CD2 TYR A 52 5.396 3.997 -6.706 1.00 0.00 C ATOM 727 CE1 TYR A 52 4.623 1.831 -8.231 1.00 0.00 C ATOM 728 CE2 TYR A 52 6.349 3.124 -7.194 1.00 0.00 C ATOM 729 CZ TYR A 52 5.958 2.043 -7.956 1.00 0.00 C ATOM 730 OH TYR A 52 6.905 1.171 -8.444 1.00 0.00 O ATOM 0 H TYR A 52 2.093 4.287 -8.670 1.00 0.00 H new ATOM 0 HA TYR A 52 1.854 6.497 -6.972 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.378 5.211 -5.512 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.107 4.203 -6.175 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.633 2.540 -7.957 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.706 4.842 -6.110 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.319 0.983 -8.828 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.395 3.287 -6.980 1.00 0.00 H new ATOM 0 HH TYR A 52 7.796 1.464 -8.161 1.00 0.00 H new ATOM 740 N LYS A 53 4.717 6.292 -8.583 1.00 0.00 N ATOM 741 CA LYS A 53 5.920 7.034 -8.938 1.00 0.00 C ATOM 742 C LYS A 53 5.565 8.364 -9.597 1.00 0.00 C ATOM 743 O LYS A 53 6.424 9.227 -9.777 1.00 0.00 O ATOM 744 CB LYS A 53 6.797 6.205 -9.880 1.00 0.00 C ATOM 745 CG LYS A 53 6.088 5.783 -11.156 1.00 0.00 C ATOM 746 CD LYS A 53 7.077 5.498 -12.274 1.00 0.00 C ATOM 747 CE LYS A 53 7.958 4.301 -11.948 1.00 0.00 C ATOM 748 NZ LYS A 53 8.725 3.837 -13.136 1.00 0.00 N ATOM 0 H LYS A 53 4.608 5.406 -9.076 1.00 0.00 H new ATOM 0 HA LYS A 53 6.473 7.238 -8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.683 6.783 -10.141 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.141 5.315 -9.354 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.489 4.893 -10.963 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.400 6.569 -11.469 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.535 5.311 -13.201 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.701 6.376 -12.441 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.651 4.567 -11.150 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.339 3.485 -11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.313 3.020 -12.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.064 3.559 -13.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.335 4.607 -13.478 1.00 0.00 H new ATOM 762 N SER A 54 4.294 8.522 -9.952 1.00 0.00 N ATOM 763 CA SER A 54 3.826 9.746 -10.592 1.00 0.00 C ATOM 764 C SER A 54 3.257 10.715 -9.561 1.00 0.00 C ATOM 765 O SER A 54 3.044 11.893 -9.850 1.00 0.00 O ATOM 766 CB SER A 54 2.764 9.422 -11.644 1.00 0.00 C ATOM 767 OG SER A 54 2.482 10.553 -12.450 1.00 0.00 O ATOM 0 H SER A 54 3.570 7.818 -9.807 1.00 0.00 H new ATOM 0 HA SER A 54 4.678 10.220 -11.079 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.109 8.601 -12.272 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.851 9.085 -11.152 1.00 0.00 H new ATOM 0 HG SER A 54 2.466 11.357 -11.891 1.00 0.00 H new ATOM 773 N HIS A 55 3.014 10.211 -8.355 1.00 0.00 N ATOM 774 CA HIS A 55 2.470 11.032 -7.279 1.00 0.00 C ATOM 775 C HIS A 55 3.591 11.675 -6.467 1.00 0.00 C ATOM 776 O HIS A 55 4.210 11.027 -5.623 1.00 0.00 O ATOM 777 CB HIS A 55 1.582 10.188 -6.365 1.00 0.00 C ATOM 778 CG HIS A 55 0.701 11.002 -5.467 1.00 0.00 C ATOM 779 ND1 HIS A 55 -0.245 11.886 -5.941 1.00 0.00 N ATOM 780 CD2 HIS A 55 0.626 11.062 -4.117 1.00 0.00 C ATOM 781 CE1 HIS A 55 -0.863 12.455 -4.922 1.00 0.00 C ATOM 782 NE2 HIS A 55 -0.353 11.972 -3.803 1.00 0.00 N ATOM 0 H HIS A 55 3.185 9.239 -8.099 1.00 0.00 H new ATOM 0 HA HIS A 55 1.869 11.824 -7.727 1.00 0.00 H new ATOM 0 HB2 HIS A 55 0.959 9.536 -6.978 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.213 9.543 -5.754 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.225 10.499 -3.417 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.651 13.190 -4.992 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -0.640 12.233 -2.860 1.00 0.00 H new ATOM 790 N VAL A 56 3.846 12.953 -6.727 1.00 0.00 N ATOM 791 CA VAL A 56 4.891 13.684 -6.021 1.00 0.00 C ATOM 792 C VAL A 56 4.294 14.681 -5.035 1.00 0.00 C ATOM 793 O VAL A 56 4.713 14.757 -3.880 1.00 0.00 O ATOM 794 CB VAL A 56 5.811 14.436 -7.001 1.00 0.00 C ATOM 795 CG1 VAL A 56 7.048 14.952 -6.283 1.00 0.00 C ATOM 796 CG2 VAL A 56 6.197 13.536 -8.165 1.00 0.00 C ATOM 0 H VAL A 56 3.343 13.504 -7.422 1.00 0.00 H new ATOM 0 HA VAL A 56 5.480 12.946 -5.476 1.00 0.00 H new ATOM 0 HB VAL A 56 5.267 15.293 -7.398 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.686 15.480 -6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.749 15.633 -5.486 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.597 14.113 -5.856 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.847 14.083 -8.848 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.723 12.659 -7.788 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.298 13.220 -8.695 1.00 0.00 H new ATOM 806 N LYS A 57 3.311 15.446 -5.498 1.00 0.00 N ATOM 807 CA LYS A 57 2.653 16.440 -4.657 1.00 0.00 C ATOM 808 C LYS A 57 1.165 16.135 -4.519 1.00 0.00 C ATOM 809 O LYS A 57 0.469 15.918 -5.512 1.00 0.00 O ATOM 810 CB LYS A 57 2.845 17.841 -5.242 1.00 0.00 C ATOM 811 CG LYS A 57 4.083 18.551 -4.725 1.00 0.00 C ATOM 812 CD LYS A 57 5.335 18.094 -5.456 1.00 0.00 C ATOM 813 CE LYS A 57 6.564 18.858 -4.987 1.00 0.00 C ATOM 814 NZ LYS A 57 7.010 18.415 -3.637 1.00 0.00 N ATOM 0 H LYS A 57 2.952 15.397 -6.452 1.00 0.00 H new ATOM 0 HA LYS A 57 3.108 16.401 -3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.906 17.767 -6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.967 18.445 -5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.963 19.628 -4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.194 18.360 -3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.484 17.027 -5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.204 18.237 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.374 18.716 -5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.342 19.925 -4.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.850 18.959 -3.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.246 18.573 -2.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.247 17.403 -3.664 1.00 0.00 H new ATOM 828 N CYS A 58 0.681 16.121 -3.281 1.00 0.00 N ATOM 829 CA CYS A 58 -0.725 15.843 -3.012 1.00 0.00 C ATOM 830 C CYS A 58 -1.592 17.052 -3.352 1.00 0.00 C ATOM 831 O CYS A 58 -2.685 16.909 -3.901 1.00 0.00 O ATOM 832 CB CYS A 58 -0.918 15.460 -1.543 1.00 0.00 C ATOM 833 SG CYS A 58 0.148 14.093 -0.985 1.00 0.00 S ATOM 0 H CYS A 58 1.242 16.299 -2.448 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.033 15.008 -3.642 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.724 16.335 -0.922 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.960 15.182 -1.385 1.00 0.00 H new ATOM 0 HG CYS A 58 0.645 14.379 0.182 1.00 0.00 H new