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 42:sc=-0.00117 USER MOD Set 1.2: A 43 CYS SG : rot -47:sc= -0.638 USER MOD Set 1.3: A 55 HIS : no HE2:sc= -1.74! K(o=-3.6!,f=-2.9) USER MOD Set 1.4: A 58 CYS SG : rot -40:sc= -1.25 USER MOD Set 2.1: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 13 CYS SG : rot 83:sc= -0.297 USER MOD Set 3.2: A 16 CYS SG : rot 148:sc= 0.408 USER MOD Set 3.3: A 28 HIS : no HD1:sc= -2.52! C(o=-4!,f=-6.1!) USER MOD Set 3.4: A 32 CYS SG : rot 136:sc= -2.67 USER MOD Set 3.5: A 35 CYS SG : rot -52:sc= 1.08 USER MOD Single : A 8 MET CE :methyl 138:sc= -1.81 (180deg=-4.18!) USER MOD Single : A 12 THR OG1 : rot 178:sc= -0.911 USER MOD Single : A 14 ASN : amide:sc= -0.0343 X(o=-0.034,f=-0.032) USER MOD Single : A 19 SER OG : rot 39:sc= 0.739 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 157:sc= -0.133 (180deg=-0.531) USER MOD Single : A 24 GLN : amide:sc=-0.00508 X(o=-0.0051,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= -0.0218 (180deg=-0.241) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.309 K(o=-0.31,f=-3!) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 37 CYS SG : rot -142:sc= -0.114 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0104) USER MOD Single : A 54 SER OG : rot 5:sc= 0.737 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 6.425 15.123 3.069 1.00 0.00 N ATOM 67 CA MET A 8 6.655 14.046 2.113 1.00 0.00 C ATOM 68 C MET A 8 5.390 13.217 1.914 1.00 0.00 C ATOM 69 O MET A 8 4.603 13.033 2.843 1.00 0.00 O ATOM 70 CB MET A 8 7.798 13.148 2.590 1.00 0.00 C ATOM 71 CG MET A 8 8.540 12.456 1.457 1.00 0.00 C ATOM 72 SD MET A 8 7.770 10.900 0.970 1.00 0.00 S ATOM 73 CE MET A 8 8.090 9.896 2.419 1.00 0.00 C ATOM 0 HA MET A 8 6.929 14.493 1.158 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.505 13.747 3.164 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.398 12.393 3.266 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.581 13.122 0.595 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.569 12.267 1.764 1.00 0.00 H new ATOM 0 HE1 MET A 8 7.202 9.311 2.660 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.924 9.223 2.219 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.339 10.542 3.261 1.00 0.00 H new ATOM 83 N VAL A 9 5.200 12.719 0.697 1.00 0.00 N ATOM 84 CA VAL A 9 4.031 11.908 0.376 1.00 0.00 C ATOM 85 C VAL A 9 4.222 10.464 0.827 1.00 0.00 C ATOM 86 O VAL A 9 5.095 9.756 0.323 1.00 0.00 O ATOM 87 CB VAL A 9 3.731 11.928 -1.135 1.00 0.00 C ATOM 88 CG1 VAL A 9 2.639 10.926 -1.476 1.00 0.00 C ATOM 89 CG2 VAL A 9 3.340 13.328 -1.582 1.00 0.00 C ATOM 0 H VAL A 9 5.841 12.863 -0.084 1.00 0.00 H new ATOM 0 HA VAL A 9 3.188 12.344 0.912 1.00 0.00 H new ATOM 0 HB VAL A 9 4.635 11.640 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.441 10.954 -2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.963 9.924 -1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.729 11.180 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.132 13.323 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.450 13.648 -1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.158 14.018 -1.375 1.00 0.00 H new ATOM 99 N PHE A 10 3.401 10.033 1.778 1.00 0.00 N ATOM 100 CA PHE A 10 3.480 8.673 2.297 1.00 0.00 C ATOM 101 C PHE A 10 2.486 7.760 1.585 1.00 0.00 C ATOM 102 O PHE A 10 1.641 8.222 0.818 1.00 0.00 O ATOM 103 CB PHE A 10 3.211 8.663 3.803 1.00 0.00 C ATOM 104 CG PHE A 10 4.451 8.820 4.636 1.00 0.00 C ATOM 105 CD1 PHE A 10 5.197 9.986 4.577 1.00 0.00 C ATOM 106 CD2 PHE A 10 4.871 7.802 5.476 1.00 0.00 C ATOM 107 CE1 PHE A 10 6.339 10.135 5.341 1.00 0.00 C ATOM 108 CE2 PHE A 10 6.012 7.945 6.243 1.00 0.00 C ATOM 109 CZ PHE A 10 6.747 9.112 6.175 1.00 0.00 C ATOM 0 H PHE A 10 2.673 10.606 2.205 1.00 0.00 H new ATOM 0 HA PHE A 10 4.487 8.298 2.112 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.516 9.467 4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.720 7.727 4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.882 10.788 3.926 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.301 6.887 5.532 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.911 11.049 5.286 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.328 7.144 6.895 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.639 9.225 6.773 1.00 0.00 H new ATOM 119 N PHE A 11 2.594 6.461 1.845 1.00 0.00 N ATOM 120 CA PHE A 11 1.706 5.482 1.228 1.00 0.00 C ATOM 121 C PHE A 11 1.487 4.288 2.153 1.00 0.00 C ATOM 122 O PHE A 11 2.299 4.016 3.038 1.00 0.00 O ATOM 123 CB PHE A 11 2.283 5.009 -0.107 1.00 0.00 C ATOM 124 CG PHE A 11 2.471 6.115 -1.105 1.00 0.00 C ATOM 125 CD1 PHE A 11 1.426 6.512 -1.924 1.00 0.00 C ATOM 126 CD2 PHE A 11 3.692 6.760 -1.224 1.00 0.00 C ATOM 127 CE1 PHE A 11 1.596 7.529 -2.844 1.00 0.00 C ATOM 128 CE2 PHE A 11 3.868 7.778 -2.142 1.00 0.00 C ATOM 129 CZ PHE A 11 2.818 8.164 -2.952 1.00 0.00 C ATOM 0 H PHE A 11 3.287 6.062 2.478 1.00 0.00 H new ATOM 0 HA PHE A 11 0.744 5.962 1.050 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.243 4.525 0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.621 4.255 -0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.468 6.021 -1.842 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.516 6.463 -0.592 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.774 7.827 -3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.825 8.271 -2.226 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.952 8.961 -3.669 1.00 0.00 H new ATOM 139 N THR A 12 0.384 3.577 1.941 1.00 0.00 N ATOM 140 CA THR A 12 0.056 2.414 2.755 1.00 0.00 C ATOM 141 C THR A 12 -0.167 1.181 1.886 1.00 0.00 C ATOM 142 O THR A 12 -1.250 0.985 1.334 1.00 0.00 O ATOM 143 CB THR A 12 -1.202 2.661 3.608 1.00 0.00 C ATOM 144 OG1 THR A 12 -0.998 3.789 4.466 1.00 0.00 O ATOM 145 CG2 THR A 12 -1.538 1.436 4.444 1.00 0.00 C ATOM 0 H THR A 12 -0.298 3.787 1.212 1.00 0.00 H new ATOM 0 HA THR A 12 0.905 2.241 3.416 1.00 0.00 H new ATOM 0 HB THR A 12 -2.036 2.862 2.936 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.814 3.960 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.430 1.634 5.038 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.721 0.586 3.787 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.704 1.208 5.107 1.00 0.00 H new ATOM 153 N CYS A 13 0.864 0.350 1.770 1.00 0.00 N ATOM 154 CA CYS A 13 0.781 -0.865 0.968 1.00 0.00 C ATOM 155 C CYS A 13 -0.497 -1.637 1.282 1.00 0.00 C ATOM 156 O CYS A 13 -0.996 -1.601 2.406 1.00 0.00 O ATOM 157 CB CYS A 13 2.001 -1.753 1.223 1.00 0.00 C ATOM 158 SG CYS A 13 1.961 -3.343 0.335 1.00 0.00 S ATOM 0 H CYS A 13 1.767 0.496 2.221 1.00 0.00 H new ATOM 0 HA CYS A 13 0.762 -0.577 -0.083 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.900 -1.209 0.933 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.078 -1.948 2.293 1.00 0.00 H new ATOM 0 HG CYS A 13 2.380 -3.170 -0.883 1.00 0.00 H new ATOM 163 N ASN A 14 -1.022 -2.333 0.279 1.00 0.00 N ATOM 164 CA ASN A 14 -2.243 -3.113 0.447 1.00 0.00 C ATOM 165 C ASN A 14 -1.923 -4.597 0.606 1.00 0.00 C ATOM 166 O ASN A 14 -2.684 -5.344 1.218 1.00 0.00 O ATOM 167 CB ASN A 14 -3.174 -2.907 -0.750 1.00 0.00 C ATOM 168 CG ASN A 14 -4.145 -4.057 -0.932 1.00 0.00 C ATOM 169 OD1 ASN A 14 -5.143 -4.160 -0.219 1.00 0.00 O ATOM 170 ND2 ASN A 14 -3.856 -4.929 -1.891 1.00 0.00 N ATOM 0 H ASN A 14 -0.621 -2.373 -0.658 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.743 -2.768 1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.733 -1.981 -0.617 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.578 -2.792 -1.655 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.473 -5.724 -2.060 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.017 -4.804 -2.458 1.00 0.00 H new ATOM 177 N ALA A 15 -0.790 -5.015 0.050 1.00 0.00 N ATOM 178 CA ALA A 15 -0.368 -6.407 0.132 1.00 0.00 C ATOM 179 C ALA A 15 -0.195 -6.844 1.583 1.00 0.00 C ATOM 180 O ALA A 15 -0.821 -7.806 2.031 1.00 0.00 O ATOM 181 CB ALA A 15 0.927 -6.612 -0.640 1.00 0.00 C ATOM 0 H ALA A 15 -0.149 -4.409 -0.462 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.147 -7.024 -0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.231 -7.656 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.773 -6.348 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.707 -5.978 -0.217 1.00 0.00 H new ATOM 187 N CYS A 16 0.657 -6.132 2.313 1.00 0.00 N ATOM 188 CA CYS A 16 0.912 -6.447 3.713 1.00 0.00 C ATOM 189 C CYS A 16 0.242 -5.428 4.631 1.00 0.00 C ATOM 190 O CYS A 16 -0.392 -5.791 5.621 1.00 0.00 O ATOM 191 CB CYS A 16 2.418 -6.480 3.984 1.00 0.00 C ATOM 192 SG CYS A 16 3.259 -4.889 3.701 1.00 0.00 S ATOM 0 H CYS A 16 1.182 -5.333 1.958 1.00 0.00 H new ATOM 0 HA CYS A 16 0.490 -7.430 3.921 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.584 -6.788 5.016 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.874 -7.238 3.348 1.00 0.00 H new ATOM 0 HG CYS A 16 4.250 -4.768 4.534 1.00 0.00 H new ATOM 197 N GLY A 17 0.387 -4.150 4.293 1.00 0.00 N ATOM 198 CA GLY A 17 -0.209 -3.099 5.096 1.00 0.00 C ATOM 199 C GLY A 17 0.809 -2.378 5.957 1.00 0.00 C ATOM 200 O GLY A 17 0.628 -2.249 7.167 1.00 0.00 O ATOM 0 H GLY A 17 0.906 -3.824 3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.700 -2.380 4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.981 -3.528 5.734 1.00 0.00 H new ATOM 204 N GLU A 18 1.884 -1.908 5.331 1.00 0.00 N ATOM 205 CA GLU A 18 2.937 -1.199 6.050 1.00 0.00 C ATOM 206 C GLU A 18 3.157 0.191 5.459 1.00 0.00 C ATOM 207 O GLU A 18 2.912 0.420 4.275 1.00 0.00 O ATOM 208 CB GLU A 18 4.242 -1.997 6.006 1.00 0.00 C ATOM 209 CG GLU A 18 4.326 -3.084 7.063 1.00 0.00 C ATOM 210 CD GLU A 18 5.432 -4.084 6.785 1.00 0.00 C ATOM 211 OE1 GLU A 18 5.733 -4.321 5.597 1.00 0.00 O ATOM 212 OE2 GLU A 18 5.996 -4.629 7.757 1.00 0.00 O ATOM 0 H GLU A 18 2.049 -2.005 4.329 1.00 0.00 H new ATOM 0 HA GLU A 18 2.623 -1.088 7.088 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.347 -2.451 5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.081 -1.313 6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.492 -2.626 8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.372 -3.608 7.116 1.00 0.00 H new ATOM 219 N SER A 19 3.622 1.115 6.293 1.00 0.00 N ATOM 220 CA SER A 19 3.871 2.484 5.856 1.00 0.00 C ATOM 221 C SER A 19 5.208 2.586 5.128 1.00 0.00 C ATOM 222 O SER A 19 6.271 2.478 5.740 1.00 0.00 O ATOM 223 CB SER A 19 3.856 3.435 7.054 1.00 0.00 C ATOM 224 OG SER A 19 4.869 3.098 7.986 1.00 0.00 O ATOM 0 H SER A 19 3.834 0.941 7.275 1.00 0.00 H new ATOM 0 HA SER A 19 3.078 2.769 5.165 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.000 4.460 6.711 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.882 3.396 7.541 1.00 0.00 H new ATOM 0 HG SER A 19 5.678 2.825 7.505 1.00 0.00 H new ATOM 230 N VAL A 20 5.146 2.794 3.817 1.00 0.00 N ATOM 231 CA VAL A 20 6.350 2.912 3.004 1.00 0.00 C ATOM 232 C VAL A 20 6.577 4.354 2.563 1.00 0.00 C ATOM 233 O VAL A 20 5.650 5.033 2.121 1.00 0.00 O ATOM 234 CB VAL A 20 6.276 2.011 1.756 1.00 0.00 C ATOM 235 CG1 VAL A 20 7.520 2.184 0.898 1.00 0.00 C ATOM 236 CG2 VAL A 20 6.096 0.556 2.161 1.00 0.00 C ATOM 0 H VAL A 20 4.274 2.884 3.295 1.00 0.00 H new ATOM 0 HA VAL A 20 7.184 2.590 3.627 1.00 0.00 H new ATOM 0 HB VAL A 20 5.411 2.310 1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.450 1.540 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.601 3.223 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.402 1.913 1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.046 -0.067 1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.940 0.242 2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.173 0.448 2.731 1.00 0.00 H new ATOM 246 N LYS A 21 7.817 4.816 2.685 1.00 0.00 N ATOM 247 CA LYS A 21 8.168 6.178 2.298 1.00 0.00 C ATOM 248 C LYS A 21 8.401 6.273 0.794 1.00 0.00 C ATOM 249 O LYS A 21 9.072 5.426 0.204 1.00 0.00 O ATOM 250 CB LYS A 21 9.420 6.636 3.049 1.00 0.00 C ATOM 251 CG LYS A 21 9.164 6.976 4.508 1.00 0.00 C ATOM 252 CD LYS A 21 10.460 7.049 5.298 1.00 0.00 C ATOM 253 CE LYS A 21 10.296 7.879 6.562 1.00 0.00 C ATOM 254 NZ LYS A 21 11.392 7.628 7.537 1.00 0.00 N ATOM 0 H LYS A 21 8.596 4.267 3.049 1.00 0.00 H new ATOM 0 HA LYS A 21 7.335 6.830 2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.174 5.851 2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.834 7.511 2.548 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.642 7.931 4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.510 6.224 4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.784 6.042 5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.243 7.483 4.676 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.277 8.937 6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.337 7.648 7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.243 8.212 8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.394 6.623 7.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.305 7.873 7.103 1.00 0.00 H new ATOM 268 N LYS A 22 7.843 7.310 0.178 1.00 0.00 N ATOM 269 CA LYS A 22 7.992 7.518 -1.257 1.00 0.00 C ATOM 270 C LYS A 22 9.427 7.252 -1.700 1.00 0.00 C ATOM 271 O LYS A 22 9.664 6.729 -2.790 1.00 0.00 O ATOM 272 CB LYS A 22 7.589 8.946 -1.631 1.00 0.00 C ATOM 273 CG LYS A 22 7.488 9.177 -3.129 1.00 0.00 C ATOM 274 CD LYS A 22 7.579 10.655 -3.472 1.00 0.00 C ATOM 275 CE LYS A 22 9.016 11.151 -3.422 1.00 0.00 C ATOM 276 NZ LYS A 22 9.871 10.479 -4.439 1.00 0.00 N ATOM 0 H LYS A 22 7.283 8.020 0.651 1.00 0.00 H new ATOM 0 HA LYS A 22 7.336 6.815 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.628 9.176 -1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.317 9.641 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.286 8.635 -3.636 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.545 8.774 -3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.169 10.825 -4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.970 11.230 -2.774 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.034 12.228 -3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.427 10.974 -2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.695 11.077 -4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.194 9.562 -4.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.322 10.328 -5.309 1.00 0.00 H new ATOM 290 N ILE A 23 10.381 7.612 -0.848 1.00 0.00 N ATOM 291 CA ILE A 23 11.792 7.410 -1.151 1.00 0.00 C ATOM 292 C ILE A 23 12.197 5.955 -0.936 1.00 0.00 C ATOM 293 O ILE A 23 13.087 5.442 -1.614 1.00 0.00 O ATOM 294 CB ILE A 23 12.689 8.314 -0.285 1.00 0.00 C ATOM 295 CG1 ILE A 23 12.408 8.076 1.200 1.00 0.00 C ATOM 296 CG2 ILE A 23 12.471 9.776 -0.643 1.00 0.00 C ATOM 297 CD1 ILE A 23 13.453 8.674 2.117 1.00 0.00 C ATOM 0 H ILE A 23 10.202 8.045 0.058 1.00 0.00 H new ATOM 0 HA ILE A 23 11.931 7.673 -2.200 1.00 0.00 H new ATOM 0 HB ILE A 23 13.731 8.063 -0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.434 8.497 1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.347 7.003 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.112 10.402 -0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.717 9.934 -1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.428 10.041 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 23 13.189 8.466 3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.426 8.235 1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 23 13.498 9.752 1.963 1.00 0.00 H new ATOM 309 N GLN A 24 11.536 5.296 0.010 1.00 0.00 N ATOM 310 CA GLN A 24 11.827 3.900 0.313 1.00 0.00 C ATOM 311 C GLN A 24 10.752 2.983 -0.261 1.00 0.00 C ATOM 312 O GLN A 24 10.304 2.045 0.399 1.00 0.00 O ATOM 313 CB GLN A 24 11.934 3.695 1.825 1.00 0.00 C ATOM 314 CG GLN A 24 13.217 4.249 2.424 1.00 0.00 C ATOM 315 CD GLN A 24 14.399 3.318 2.235 1.00 0.00 C ATOM 316 OE1 GLN A 24 15.217 3.510 1.336 1.00 0.00 O ATOM 317 NE2 GLN A 24 14.494 2.301 3.085 1.00 0.00 N ATOM 0 H GLN A 24 10.796 5.706 0.579 1.00 0.00 H new ATOM 0 HA GLN A 24 12.781 3.646 -0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.081 4.171 2.309 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.871 2.629 2.044 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.441 5.212 1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.068 4.430 3.489 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.793 2.180 3.816 1.00 0.00 H new ATOM 0 HE22 GLN A 24 15.268 1.642 3.007 1.00 0.00 H new ATOM 326 N VAL A 25 10.340 3.261 -1.494 1.00 0.00 N ATOM 327 CA VAL A 25 9.318 2.461 -2.157 1.00 0.00 C ATOM 328 C VAL A 25 9.932 1.252 -2.854 1.00 0.00 C ATOM 329 O VAL A 25 9.644 0.109 -2.502 1.00 0.00 O ATOM 330 CB VAL A 25 8.537 3.294 -3.191 1.00 0.00 C ATOM 331 CG1 VAL A 25 7.594 2.407 -3.990 1.00 0.00 C ATOM 332 CG2 VAL A 25 7.772 4.415 -2.503 1.00 0.00 C ATOM 0 H VAL A 25 10.699 4.035 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 25 8.631 2.120 -1.382 1.00 0.00 H new ATOM 0 HB VAL A 25 9.250 3.742 -3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.051 3.013 -4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.169 1.643 -4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.885 1.928 -3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.226 4.994 -3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.069 3.990 -1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.473 5.066 -1.980 1.00 0.00 H new ATOM 342 N GLU A 26 10.780 1.514 -3.844 1.00 0.00 N ATOM 343 CA GLU A 26 11.434 0.447 -4.591 1.00 0.00 C ATOM 344 C GLU A 26 11.859 -0.686 -3.661 1.00 0.00 C ATOM 345 O GLU A 26 11.559 -1.854 -3.908 1.00 0.00 O ATOM 346 CB GLU A 26 12.653 0.991 -5.339 1.00 0.00 C ATOM 347 CG GLU A 26 12.965 0.239 -6.622 1.00 0.00 C ATOM 348 CD GLU A 26 12.074 0.659 -7.776 1.00 0.00 C ATOM 349 OE1 GLU A 26 12.306 1.750 -8.337 1.00 0.00 O ATOM 350 OE2 GLU A 26 11.146 -0.103 -8.118 1.00 0.00 O ATOM 0 H GLU A 26 11.030 2.456 -4.147 1.00 0.00 H new ATOM 0 HA GLU A 26 10.719 0.053 -5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.485 2.042 -5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.521 0.947 -4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.007 0.407 -6.893 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.849 -0.831 -6.449 1.00 0.00 H new ATOM 357 N LYS A 27 12.561 -0.332 -2.590 1.00 0.00 N ATOM 358 CA LYS A 27 13.028 -1.317 -1.621 1.00 0.00 C ATOM 359 C LYS A 27 11.881 -2.207 -1.154 1.00 0.00 C ATOM 360 O LYS A 27 11.924 -3.427 -1.315 1.00 0.00 O ATOM 361 CB LYS A 27 13.667 -0.617 -0.419 1.00 0.00 C ATOM 362 CG LYS A 27 14.447 -1.554 0.487 1.00 0.00 C ATOM 363 CD LYS A 27 15.182 -0.792 1.577 1.00 0.00 C ATOM 364 CE LYS A 27 15.993 -1.728 2.460 1.00 0.00 C ATOM 365 NZ LYS A 27 17.064 -2.424 1.694 1.00 0.00 N ATOM 0 H LYS A 27 12.819 0.630 -2.371 1.00 0.00 H new ATOM 0 HA LYS A 27 13.775 -1.943 -2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.334 0.167 -0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.886 -0.128 0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.766 -2.274 0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.163 -2.123 -0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.843 -0.053 1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.464 -0.245 2.188 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.440 -1.161 3.276 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.330 -2.467 2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.726 -2.876 2.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.638 -3.149 1.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.577 -1.734 1.109 1.00 0.00 H new ATOM 379 N HIS A 28 10.856 -1.589 -0.575 1.00 0.00 N ATOM 380 CA HIS A 28 9.696 -2.326 -0.087 1.00 0.00 C ATOM 381 C HIS A 28 9.122 -3.222 -1.180 1.00 0.00 C ATOM 382 O HIS A 28 9.029 -4.438 -1.015 1.00 0.00 O ATOM 383 CB HIS A 28 8.623 -1.357 0.411 1.00 0.00 C ATOM 384 CG HIS A 28 7.372 -2.037 0.878 1.00 0.00 C ATOM 385 ND1 HIS A 28 7.188 -2.465 2.176 1.00 0.00 N ATOM 386 CD2 HIS A 28 6.239 -2.361 0.212 1.00 0.00 C ATOM 387 CE1 HIS A 28 5.997 -3.024 2.287 1.00 0.00 C ATOM 388 NE2 HIS A 28 5.400 -2.973 1.110 1.00 0.00 N ATOM 0 H HIS A 28 10.805 -0.580 -0.433 1.00 0.00 H new ATOM 0 HA HIS A 28 10.019 -2.956 0.742 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.032 -0.764 1.229 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.372 -0.663 -0.391 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.033 -2.173 -0.831 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.581 -3.451 3.188 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.467 -3.330 0.902 1.00 0.00 H new ATOM 396 N VAL A 29 8.737 -2.613 -2.297 1.00 0.00 N ATOM 397 CA VAL A 29 8.173 -3.355 -3.418 1.00 0.00 C ATOM 398 C VAL A 29 8.982 -4.615 -3.706 1.00 0.00 C ATOM 399 O VAL A 29 8.431 -5.713 -3.790 1.00 0.00 O ATOM 400 CB VAL A 29 8.116 -2.492 -4.692 1.00 0.00 C ATOM 401 CG1 VAL A 29 7.612 -3.311 -5.870 1.00 0.00 C ATOM 402 CG2 VAL A 29 7.240 -1.269 -4.468 1.00 0.00 C ATOM 0 H VAL A 29 8.806 -1.607 -2.450 1.00 0.00 H new ATOM 0 HA VAL A 29 7.159 -3.635 -3.133 1.00 0.00 H new ATOM 0 HB VAL A 29 9.125 -2.150 -4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.579 -2.684 -6.761 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.284 -4.152 -6.043 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.612 -3.685 -5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.211 -0.670 -5.379 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.230 -1.587 -4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.651 -0.672 -3.654 1.00 0.00 H new ATOM 412 N SER A 30 10.292 -4.449 -3.856 1.00 0.00 N ATOM 413 CA SER A 30 11.178 -5.572 -4.138 1.00 0.00 C ATOM 414 C SER A 30 10.833 -6.770 -3.259 1.00 0.00 C ATOM 415 O SER A 30 10.675 -7.888 -3.748 1.00 0.00 O ATOM 416 CB SER A 30 12.636 -5.167 -3.918 1.00 0.00 C ATOM 417 OG SER A 30 13.148 -4.472 -5.043 1.00 0.00 O ATOM 0 H SER A 30 10.763 -3.547 -3.787 1.00 0.00 H new ATOM 0 HA SER A 30 11.041 -5.857 -5.181 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.712 -4.537 -3.032 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.239 -6.055 -3.730 1.00 0.00 H new ATOM 0 HG SER A 30 14.081 -4.223 -4.877 1.00 0.00 H new ATOM 423 N ASN A 31 10.717 -6.527 -1.957 1.00 0.00 N ATOM 424 CA ASN A 31 10.391 -7.585 -1.008 1.00 0.00 C ATOM 425 C ASN A 31 8.924 -7.987 -1.124 1.00 0.00 C ATOM 426 O ASN A 31 8.605 -9.157 -1.340 1.00 0.00 O ATOM 427 CB ASN A 31 10.695 -7.128 0.421 1.00 0.00 C ATOM 428 CG ASN A 31 12.168 -6.838 0.634 1.00 0.00 C ATOM 429 OD1 ASN A 31 12.816 -6.210 -0.204 1.00 0.00 O ATOM 430 ND2 ASN A 31 12.704 -7.296 1.759 1.00 0.00 N ATOM 0 H ASN A 31 10.844 -5.607 -1.536 1.00 0.00 H new ATOM 0 HA ASN A 31 11.007 -8.453 -1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.115 -6.232 0.644 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.374 -7.899 1.122 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.691 -7.132 1.957 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.129 -7.812 2.425 1.00 0.00 H new ATOM 437 N CYS A 32 8.035 -7.010 -0.979 1.00 0.00 N ATOM 438 CA CYS A 32 6.602 -7.261 -1.068 1.00 0.00 C ATOM 439 C CYS A 32 6.178 -7.492 -2.515 1.00 0.00 C ATOM 440 O CYS A 32 5.717 -6.574 -3.193 1.00 0.00 O ATOM 441 CB CYS A 32 5.820 -6.085 -0.478 1.00 0.00 C ATOM 442 SG CYS A 32 4.208 -6.546 0.234 1.00 0.00 S ATOM 0 H CYS A 32 8.282 -6.037 -0.799 1.00 0.00 H new ATOM 0 HA CYS A 32 6.380 -8.161 -0.495 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.425 -5.612 0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.661 -5.340 -1.258 1.00 0.00 H new ATOM 0 HG CYS A 32 4.050 -5.944 1.375 1.00 0.00 H new ATOM 447 N ARG A 33 6.338 -8.726 -2.982 1.00 0.00 N ATOM 448 CA ARG A 33 5.974 -9.079 -4.349 1.00 0.00 C ATOM 449 C ARG A 33 4.484 -8.856 -4.590 1.00 0.00 C ATOM 450 O ARG A 33 4.065 -8.543 -5.703 1.00 0.00 O ATOM 451 CB ARG A 33 6.334 -10.538 -4.635 1.00 0.00 C ATOM 452 CG ARG A 33 7.798 -10.746 -4.988 1.00 0.00 C ATOM 453 CD ARG A 33 8.146 -12.224 -5.074 1.00 0.00 C ATOM 454 NE ARG A 33 8.555 -12.765 -3.781 1.00 0.00 N ATOM 455 CZ ARG A 33 9.738 -12.528 -3.225 1.00 0.00 C ATOM 456 NH1 ARG A 33 10.624 -11.763 -3.847 1.00 0.00 N ATOM 457 NH2 ARG A 33 10.037 -13.057 -2.046 1.00 0.00 N ATOM 0 H ARG A 33 6.717 -9.498 -2.434 1.00 0.00 H new ATOM 0 HA ARG A 33 6.535 -8.434 -5.025 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.090 -11.142 -3.761 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.716 -10.902 -5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.016 -10.264 -5.941 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.426 -10.266 -4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.283 -12.779 -5.443 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.949 -12.366 -5.797 1.00 0.00 H new ATOM 0 HE ARG A 33 7.896 -13.358 -3.277 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.398 -11.355 -4.754 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.532 -11.582 -3.418 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.358 -13.647 -1.565 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.946 -12.874 -1.621 1.00 0.00 H new ATOM 471 N ASN A 34 3.689 -9.019 -3.537 1.00 0.00 N ATOM 472 CA ASN A 34 2.245 -8.836 -3.634 1.00 0.00 C ATOM 473 C ASN A 34 1.889 -7.354 -3.712 1.00 0.00 C ATOM 474 O ASN A 34 0.815 -6.989 -4.193 1.00 0.00 O ATOM 475 CB ASN A 34 1.547 -9.477 -2.432 1.00 0.00 C ATOM 476 CG ASN A 34 1.631 -10.991 -2.455 1.00 0.00 C ATOM 477 OD1 ASN A 34 2.713 -11.566 -2.343 1.00 0.00 O ATOM 478 ND2 ASN A 34 0.484 -11.644 -2.601 1.00 0.00 N ATOM 0 H ASN A 34 4.020 -9.277 -2.607 1.00 0.00 H new ATOM 0 HA ASN A 34 1.902 -9.323 -4.547 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.998 -9.105 -1.512 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.500 -9.174 -2.419 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.477 -12.664 -2.624 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.390 -11.126 -2.690 1.00 0.00 H new ATOM 485 N CYS A 35 2.795 -6.507 -3.238 1.00 0.00 N ATOM 486 CA CYS A 35 2.577 -5.065 -3.255 1.00 0.00 C ATOM 487 C CYS A 35 2.519 -4.540 -4.685 1.00 0.00 C ATOM 488 O CYS A 35 3.544 -4.427 -5.356 1.00 0.00 O ATOM 489 CB CYS A 35 3.686 -4.352 -2.481 1.00 0.00 C ATOM 490 SG CYS A 35 3.602 -2.547 -2.565 1.00 0.00 S ATOM 0 H CYS A 35 3.688 -6.794 -2.837 1.00 0.00 H new ATOM 0 HA CYS A 35 1.620 -4.862 -2.775 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.640 -4.659 -1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.652 -4.678 -2.867 1.00 0.00 H new ATOM 0 HG CYS A 35 3.525 -2.174 -3.808 1.00 0.00 H new ATOM 496 N GLU A 36 1.313 -4.224 -5.146 1.00 0.00 N ATOM 497 CA GLU A 36 1.122 -3.714 -6.498 1.00 0.00 C ATOM 498 C GLU A 36 0.471 -2.334 -6.472 1.00 0.00 C ATOM 499 O GLU A 36 0.773 -1.477 -7.304 1.00 0.00 O ATOM 500 CB GLU A 36 0.262 -4.680 -7.315 1.00 0.00 C ATOM 501 CG GLU A 36 1.054 -5.808 -7.955 1.00 0.00 C ATOM 502 CD GLU A 36 0.226 -6.622 -8.931 1.00 0.00 C ATOM 503 OE1 GLU A 36 -0.077 -6.104 -10.026 1.00 0.00 O ATOM 504 OE2 GLU A 36 -0.118 -7.776 -8.599 1.00 0.00 O ATOM 0 H GLU A 36 0.454 -4.312 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 36 2.102 -3.626 -6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.504 -5.107 -6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.255 -4.122 -8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.917 -5.392 -8.475 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.439 -6.465 -7.175 1.00 0.00 H new ATOM 511 N CYS A 37 -0.425 -2.127 -5.513 1.00 0.00 N ATOM 512 CA CYS A 37 -1.120 -0.852 -5.379 1.00 0.00 C ATOM 513 C CYS A 37 -0.739 -0.159 -4.075 1.00 0.00 C ATOM 514 O CYS A 37 -0.476 -0.814 -3.065 1.00 0.00 O ATOM 515 CB CYS A 37 -2.634 -1.065 -5.433 1.00 0.00 C ATOM 516 SG CYS A 37 -3.252 -2.275 -4.241 1.00 0.00 S ATOM 0 H CYS A 37 -0.687 -2.825 -4.817 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.820 -0.214 -6.210 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.131 -0.111 -5.257 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.909 -1.387 -6.437 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.199 -2.979 -4.788 1.00 0.00 H new ATOM 522 N LEU A 38 -0.708 1.169 -4.104 1.00 0.00 N ATOM 523 CA LEU A 38 -0.357 1.952 -2.924 1.00 0.00 C ATOM 524 C LEU A 38 -1.447 2.968 -2.600 1.00 0.00 C ATOM 525 O LEU A 38 -1.971 3.637 -3.491 1.00 0.00 O ATOM 526 CB LEU A 38 0.976 2.670 -3.143 1.00 0.00 C ATOM 527 CG LEU A 38 2.226 1.788 -3.113 1.00 0.00 C ATOM 528 CD1 LEU A 38 3.397 2.500 -3.772 1.00 0.00 C ATOM 529 CD2 LEU A 38 2.572 1.402 -1.682 1.00 0.00 C ATOM 0 H LEU A 38 -0.922 1.726 -4.931 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.261 1.269 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.938 3.179 -4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.081 3.440 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 38 2.018 0.877 -3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.277 1.858 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.149 2.726 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.606 3.427 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.463 0.775 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.760 2.303 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.740 0.852 -1.242 1.00 0.00 H new ATOM 541 N SER A 39 -1.783 3.080 -1.319 1.00 0.00 N ATOM 542 CA SER A 39 -2.812 4.014 -0.877 1.00 0.00 C ATOM 543 C SER A 39 -2.201 5.150 -0.063 1.00 0.00 C ATOM 544 O SER A 39 -1.781 4.956 1.079 1.00 0.00 O ATOM 545 CB SER A 39 -3.868 3.285 -0.044 1.00 0.00 C ATOM 546 OG SER A 39 -4.786 2.595 -0.875 1.00 0.00 O ATOM 0 H SER A 39 -1.358 2.535 -0.569 1.00 0.00 H new ATOM 0 HA SER A 39 -3.287 4.439 -1.762 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.381 2.580 0.630 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.404 4.002 0.578 1.00 0.00 H new ATOM 0 HG SER A 39 -5.450 2.136 -0.319 1.00 0.00 H new ATOM 552 N CYS A 40 -2.155 6.337 -0.657 1.00 0.00 N ATOM 553 CA CYS A 40 -1.596 7.506 0.010 1.00 0.00 C ATOM 554 C CYS A 40 -2.335 7.794 1.314 1.00 0.00 C ATOM 555 O CYS A 40 -3.531 7.525 1.433 1.00 0.00 O ATOM 556 CB CYS A 40 -1.666 8.727 -0.909 1.00 0.00 C ATOM 557 SG CYS A 40 -0.864 10.216 -0.232 1.00 0.00 S ATOM 0 H CYS A 40 -2.499 6.515 -1.601 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.552 7.295 0.243 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.200 8.478 -1.862 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.712 8.953 -1.116 1.00 0.00 H new ATOM 0 HG CYS A 40 0.260 9.885 0.332 1.00 0.00 H new ATOM 562 N ILE A 41 -1.616 8.342 2.287 1.00 0.00 N ATOM 563 CA ILE A 41 -2.204 8.668 3.580 1.00 0.00 C ATOM 564 C ILE A 41 -2.330 10.177 3.763 1.00 0.00 C ATOM 565 O ILE A 41 -3.227 10.655 4.457 1.00 0.00 O ATOM 566 CB ILE A 41 -1.370 8.090 4.739 1.00 0.00 C ATOM 567 CG1 ILE A 41 0.059 8.634 4.689 1.00 0.00 C ATOM 568 CG2 ILE A 41 -1.366 6.569 4.681 1.00 0.00 C ATOM 569 CD1 ILE A 41 0.876 8.299 5.918 1.00 0.00 C ATOM 0 H ILE A 41 -0.625 8.570 2.205 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.197 8.218 3.597 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.823 8.397 5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.561 8.233 3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.023 9.717 4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.773 6.175 5.506 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.388 6.199 4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.934 6.242 3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.878 8.716 5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.397 8.723 6.800 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.943 7.216 6.026 1.00 0.00 H new ATOM 581 N ASP A 42 -1.426 10.920 3.135 1.00 0.00 N ATOM 582 CA ASP A 42 -1.437 12.376 3.226 1.00 0.00 C ATOM 583 C ASP A 42 -2.779 12.939 2.767 1.00 0.00 C ATOM 584 O ASP A 42 -3.309 13.875 3.366 1.00 0.00 O ATOM 585 CB ASP A 42 -0.307 12.969 2.383 1.00 0.00 C ATOM 586 CG ASP A 42 -0.127 14.456 2.620 1.00 0.00 C ATOM 587 OD1 ASP A 42 0.262 14.835 3.745 1.00 0.00 O ATOM 588 OD2 ASP A 42 -0.374 15.240 1.681 1.00 0.00 O ATOM 0 H ASP A 42 -0.676 10.539 2.558 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.285 12.651 4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.624 12.452 2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.515 12.795 1.327 1.00 0.00 H new ATOM 593 N CYS A 43 -3.323 12.362 1.701 1.00 0.00 N ATOM 594 CA CYS A 43 -4.602 12.806 1.161 1.00 0.00 C ATOM 595 C CYS A 43 -5.556 11.628 0.981 1.00 0.00 C ATOM 596 O CYS A 43 -6.732 11.708 1.333 1.00 0.00 O ATOM 597 CB CYS A 43 -4.395 13.517 -0.178 1.00 0.00 C ATOM 598 SG CYS A 43 -3.827 12.423 -1.520 1.00 0.00 S ATOM 0 H CYS A 43 -2.898 11.586 1.194 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.045 13.504 1.872 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.333 13.985 -0.477 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.668 14.318 -0.044 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.841 11.690 -1.094 1.00 0.00 H new ATOM 603 N GLY A 44 -5.038 10.533 0.431 1.00 0.00 N ATOM 604 CA GLY A 44 -5.856 9.354 0.215 1.00 0.00 C ATOM 605 C GLY A 44 -6.243 9.176 -1.240 1.00 0.00 C ATOM 606 O GLY A 44 -7.190 9.799 -1.719 1.00 0.00 O ATOM 0 H GLY A 44 -4.067 10.442 0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.313 8.472 0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.759 9.426 0.822 1.00 0.00 H new ATOM 610 N LYS A 45 -5.508 8.323 -1.946 1.00 0.00 N ATOM 611 CA LYS A 45 -5.778 8.064 -3.355 1.00 0.00 C ATOM 612 C LYS A 45 -5.253 6.693 -3.766 1.00 0.00 C ATOM 613 O LYS A 45 -4.195 6.259 -3.308 1.00 0.00 O ATOM 614 CB LYS A 45 -5.139 9.149 -4.225 1.00 0.00 C ATOM 615 CG LYS A 45 -5.350 8.936 -5.714 1.00 0.00 C ATOM 616 CD LYS A 45 -6.686 9.495 -6.173 1.00 0.00 C ATOM 617 CE LYS A 45 -6.620 11.001 -6.377 1.00 0.00 C ATOM 618 NZ LYS A 45 -5.944 11.359 -7.654 1.00 0.00 N ATOM 0 H LYS A 45 -4.720 7.799 -1.565 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.858 8.079 -3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.550 10.118 -3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.069 9.185 -4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.544 9.416 -6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.303 7.871 -5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.982 9.013 -7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.453 9.260 -5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.629 11.413 -6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.086 11.457 -5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.979 12.390 -7.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.952 11.048 -7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.428 10.890 -8.446 1.00 0.00 H new ATOM 632 N ASP A 46 -5.997 6.015 -4.633 1.00 0.00 N ATOM 633 CA ASP A 46 -5.605 4.693 -5.108 1.00 0.00 C ATOM 634 C ASP A 46 -4.666 4.803 -6.306 1.00 0.00 C ATOM 635 O ASP A 46 -5.041 5.324 -7.356 1.00 0.00 O ATOM 636 CB ASP A 46 -6.841 3.876 -5.486 1.00 0.00 C ATOM 637 CG ASP A 46 -7.906 4.717 -6.163 1.00 0.00 C ATOM 638 OD1 ASP A 46 -7.765 4.991 -7.373 1.00 0.00 O ATOM 639 OD2 ASP A 46 -8.880 5.102 -5.482 1.00 0.00 O ATOM 0 H ASP A 46 -6.875 6.359 -5.021 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.077 4.185 -4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.547 3.064 -6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.259 3.419 -4.589 1.00 0.00 H new ATOM 644 N PHE A 47 -3.444 4.308 -6.140 1.00 0.00 N ATOM 645 CA PHE A 47 -2.450 4.352 -7.207 1.00 0.00 C ATOM 646 C PHE A 47 -2.025 2.944 -7.612 1.00 0.00 C ATOM 647 O PHE A 47 -1.130 2.355 -7.005 1.00 0.00 O ATOM 648 CB PHE A 47 -1.228 5.158 -6.761 1.00 0.00 C ATOM 649 CG PHE A 47 -1.546 6.582 -6.406 1.00 0.00 C ATOM 650 CD1 PHE A 47 -1.747 7.529 -7.397 1.00 0.00 C ATOM 651 CD2 PHE A 47 -1.643 6.973 -5.080 1.00 0.00 C ATOM 652 CE1 PHE A 47 -2.041 8.840 -7.073 1.00 0.00 C ATOM 653 CE2 PHE A 47 -1.936 8.283 -4.750 1.00 0.00 C ATOM 654 CZ PHE A 47 -2.134 9.218 -5.748 1.00 0.00 C ATOM 0 H PHE A 47 -3.118 3.872 -5.277 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.902 4.839 -8.071 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.776 4.669 -5.898 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.485 5.148 -7.559 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.673 7.239 -8.435 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.488 6.246 -4.296 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.198 9.568 -7.855 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.010 8.575 -3.713 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.361 10.242 -5.492 1.00 0.00 H new ATOM 664 N TRP A 48 -2.673 2.410 -8.641 1.00 0.00 N ATOM 665 CA TRP A 48 -2.363 1.071 -9.128 1.00 0.00 C ATOM 666 C TRP A 48 -1.222 1.109 -10.138 1.00 0.00 C ATOM 667 O TRP A 48 -1.050 2.092 -10.857 1.00 0.00 O ATOM 668 CB TRP A 48 -3.602 0.438 -9.764 1.00 0.00 C ATOM 669 CG TRP A 48 -4.634 0.015 -8.763 1.00 0.00 C ATOM 670 CD1 TRP A 48 -5.631 0.787 -8.238 1.00 0.00 C ATOM 671 CD2 TRP A 48 -4.769 -1.278 -8.165 1.00 0.00 C ATOM 672 NE1 TRP A 48 -6.378 0.051 -7.350 1.00 0.00 N ATOM 673 CE2 TRP A 48 -5.870 -1.219 -7.288 1.00 0.00 C ATOM 674 CE3 TRP A 48 -4.068 -2.481 -8.286 1.00 0.00 C ATOM 675 CZ2 TRP A 48 -6.283 -2.317 -6.537 1.00 0.00 C ATOM 676 CZ3 TRP A 48 -4.479 -3.570 -7.540 1.00 0.00 C ATOM 677 CH2 TRP A 48 -5.579 -3.482 -6.675 1.00 0.00 C ATOM 0 H TRP A 48 -3.416 2.884 -9.154 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.050 0.466 -8.277 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.049 1.150 -10.457 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.298 -0.429 -10.350 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.806 1.824 -8.485 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.181 0.395 -6.823 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.220 -2.559 -8.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.129 -2.251 -5.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.944 -4.504 -7.625 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -5.876 -4.351 -6.107 1.00 0.00 H new ATOM 688 N GLY A 49 -0.443 0.032 -10.186 1.00 0.00 N ATOM 689 CA GLY A 49 0.673 -0.035 -11.111 1.00 0.00 C ATOM 690 C GLY A 49 1.771 0.953 -10.769 1.00 0.00 C ATOM 691 O GLY A 49 2.268 0.974 -9.643 1.00 0.00 O ATOM 0 H GLY A 49 -0.565 -0.795 -9.601 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.083 -1.045 -11.108 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.315 0.160 -12.122 1.00 0.00 H new ATOM 695 N ASP A 50 2.151 1.772 -11.743 1.00 0.00 N ATOM 696 CA ASP A 50 3.198 2.767 -11.540 1.00 0.00 C ATOM 697 C ASP A 50 2.615 4.176 -11.537 1.00 0.00 C ATOM 698 O ASP A 50 3.159 5.086 -12.163 1.00 0.00 O ATOM 699 CB ASP A 50 4.265 2.646 -12.629 1.00 0.00 C ATOM 700 CG ASP A 50 3.687 2.790 -14.024 1.00 0.00 C ATOM 701 OD1 ASP A 50 2.690 3.526 -14.180 1.00 0.00 O ATOM 702 OD2 ASP A 50 4.233 2.168 -14.959 1.00 0.00 O ATOM 0 H ASP A 50 1.750 1.767 -12.681 1.00 0.00 H new ATOM 0 HA ASP A 50 3.658 2.581 -10.569 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.027 3.410 -12.474 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.761 1.679 -12.542 1.00 0.00 H new ATOM 707 N ASP A 51 1.504 4.350 -10.828 1.00 0.00 N ATOM 708 CA ASP A 51 0.847 5.649 -10.743 1.00 0.00 C ATOM 709 C ASP A 51 1.378 6.450 -9.559 1.00 0.00 C ATOM 710 O ASP A 51 1.501 7.673 -9.630 1.00 0.00 O ATOM 711 CB ASP A 51 -0.667 5.470 -10.617 1.00 0.00 C ATOM 712 CG ASP A 51 -1.265 4.739 -11.802 1.00 0.00 C ATOM 713 OD1 ASP A 51 -0.663 4.788 -12.896 1.00 0.00 O ATOM 714 OD2 ASP A 51 -2.335 4.117 -11.637 1.00 0.00 O ATOM 0 H ASP A 51 1.040 3.608 -10.304 1.00 0.00 H new ATOM 0 HA ASP A 51 1.065 6.200 -11.658 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.890 4.918 -9.704 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.139 6.448 -10.522 1.00 0.00 H new ATOM 719 N TYR A 52 1.690 5.753 -8.472 1.00 0.00 N ATOM 720 CA TYR A 52 2.204 6.400 -7.271 1.00 0.00 C ATOM 721 C TYR A 52 3.479 7.182 -7.577 1.00 0.00 C ATOM 722 O TYR A 52 3.723 8.244 -7.004 1.00 0.00 O ATOM 723 CB TYR A 52 2.479 5.360 -6.184 1.00 0.00 C ATOM 724 CG TYR A 52 3.594 4.400 -6.532 1.00 0.00 C ATOM 725 CD1 TYR A 52 4.925 4.758 -6.356 1.00 0.00 C ATOM 726 CD2 TYR A 52 3.317 3.136 -7.036 1.00 0.00 C ATOM 727 CE1 TYR A 52 5.947 3.884 -6.674 1.00 0.00 C ATOM 728 CE2 TYR A 52 4.332 2.255 -7.355 1.00 0.00 C ATOM 729 CZ TYR A 52 5.646 2.634 -7.173 1.00 0.00 C ATOM 730 OH TYR A 52 6.661 1.760 -7.489 1.00 0.00 O ATOM 0 H TYR A 52 1.596 4.740 -8.398 1.00 0.00 H new ATOM 0 HA TYR A 52 1.448 7.098 -6.913 1.00 0.00 H new ATOM 0 HB2 TYR A 52 2.730 5.874 -5.256 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.567 4.792 -5.997 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.165 5.735 -5.964 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.290 2.836 -7.181 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.976 4.178 -6.532 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.098 1.275 -7.745 1.00 0.00 H new ATOM 0 HH TYR A 52 6.279 0.923 -7.827 1.00 0.00 H new ATOM 740 N LYS A 53 4.289 6.648 -8.485 1.00 0.00 N ATOM 741 CA LYS A 53 5.538 7.294 -8.870 1.00 0.00 C ATOM 742 C LYS A 53 5.303 8.755 -9.241 1.00 0.00 C ATOM 743 O LYS A 53 6.097 9.629 -8.893 1.00 0.00 O ATOM 744 CB LYS A 53 6.176 6.554 -10.048 1.00 0.00 C ATOM 745 CG LYS A 53 6.597 5.133 -9.718 1.00 0.00 C ATOM 746 CD LYS A 53 7.734 4.666 -10.610 1.00 0.00 C ATOM 747 CE LYS A 53 9.090 4.984 -9.997 1.00 0.00 C ATOM 748 NZ LYS A 53 9.585 3.874 -9.138 1.00 0.00 N ATOM 0 H LYS A 53 4.103 5.769 -8.968 1.00 0.00 H new ATOM 0 HA LYS A 53 6.215 7.259 -8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.469 6.531 -10.877 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.048 7.113 -10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.906 5.077 -8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.744 4.464 -9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.651 3.592 -10.775 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.653 5.145 -11.586 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.811 5.178 -10.791 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.016 5.896 -9.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.511 4.130 -8.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.910 3.706 -8.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.681 3.010 -9.708 1.00 0.00 H new ATOM 762 N SER A 54 4.207 9.013 -9.948 1.00 0.00 N ATOM 763 CA SER A 54 3.870 10.368 -10.368 1.00 0.00 C ATOM 764 C SER A 54 3.009 11.063 -9.317 1.00 0.00 C ATOM 765 O SER A 54 2.043 11.753 -9.647 1.00 0.00 O ATOM 766 CB SER A 54 3.135 10.341 -11.709 1.00 0.00 C ATOM 767 OG SER A 54 2.073 9.402 -11.691 1.00 0.00 O ATOM 0 H SER A 54 3.538 8.302 -10.242 1.00 0.00 H new ATOM 0 HA SER A 54 4.798 10.929 -10.482 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.743 11.333 -11.932 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.835 10.088 -12.506 1.00 0.00 H new ATOM 0 HG SER A 54 1.987 9.022 -10.792 1.00 0.00 H new ATOM 773 N HIS A 55 3.365 10.876 -8.050 1.00 0.00 N ATOM 774 CA HIS A 55 2.627 11.486 -6.950 1.00 0.00 C ATOM 775 C HIS A 55 3.577 12.155 -5.963 1.00 0.00 C ATOM 776 O HIS A 55 4.154 11.497 -5.097 1.00 0.00 O ATOM 777 CB HIS A 55 1.783 10.433 -6.230 1.00 0.00 C ATOM 778 CG HIS A 55 0.775 11.016 -5.288 1.00 0.00 C ATOM 779 ND1 HIS A 55 -0.067 12.052 -5.632 1.00 0.00 N ATOM 780 CD2 HIS A 55 0.476 10.700 -4.006 1.00 0.00 C ATOM 781 CE1 HIS A 55 -0.839 12.350 -4.603 1.00 0.00 C ATOM 782 NE2 HIS A 55 -0.530 11.544 -3.603 1.00 0.00 N ATOM 0 H HIS A 55 4.160 10.307 -7.760 1.00 0.00 H new ATOM 0 HA HIS A 55 1.968 12.248 -7.365 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.266 9.824 -6.972 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.444 9.767 -5.675 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.090 12.516 -6.540 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.942 9.928 -3.411 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.595 13.121 -4.582 1.00 0.00 H new ATOM 790 N VAL A 56 3.736 13.468 -6.099 1.00 0.00 N ATOM 791 CA VAL A 56 4.616 14.227 -5.218 1.00 0.00 C ATOM 792 C VAL A 56 3.870 15.381 -4.558 1.00 0.00 C ATOM 793 O VAL A 56 4.280 15.881 -3.510 1.00 0.00 O ATOM 794 CB VAL A 56 5.829 14.787 -5.984 1.00 0.00 C ATOM 795 CG1 VAL A 56 5.374 15.688 -7.122 1.00 0.00 C ATOM 796 CG2 VAL A 56 6.757 15.535 -5.039 1.00 0.00 C ATOM 0 H VAL A 56 3.267 14.028 -6.811 1.00 0.00 H new ATOM 0 HA VAL A 56 4.967 13.538 -4.450 1.00 0.00 H new ATOM 0 HB VAL A 56 6.382 13.952 -6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.245 16.074 -7.651 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.754 15.117 -7.813 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.797 16.520 -6.719 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.609 15.924 -5.597 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.217 16.362 -4.578 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.111 14.856 -4.264 1.00 0.00 H new ATOM 806 N LYS A 57 2.772 15.800 -5.177 1.00 0.00 N ATOM 807 CA LYS A 57 1.965 16.894 -4.649 1.00 0.00 C ATOM 808 C LYS A 57 0.535 16.437 -4.382 1.00 0.00 C ATOM 809 O LYS A 57 -0.193 16.072 -5.306 1.00 0.00 O ATOM 810 CB LYS A 57 1.962 18.071 -5.627 1.00 0.00 C ATOM 811 CG LYS A 57 3.218 18.923 -5.558 1.00 0.00 C ATOM 812 CD LYS A 57 2.974 20.321 -6.102 1.00 0.00 C ATOM 813 CE LYS A 57 4.258 20.948 -6.622 1.00 0.00 C ATOM 814 NZ LYS A 57 3.987 22.024 -7.615 1.00 0.00 N ATOM 0 H LYS A 57 2.420 15.398 -6.046 1.00 0.00 H new ATOM 0 HA LYS A 57 2.406 17.215 -3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.847 17.689 -6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.095 18.700 -5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.558 18.988 -4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.015 18.444 -6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.238 20.277 -6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.553 20.950 -5.318 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.826 21.359 -5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.878 20.178 -7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.887 22.426 -7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.467 21.627 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.417 22.771 -7.170 1.00 0.00 H new ATOM 828 N CYS A 58 0.137 16.460 -3.115 1.00 0.00 N ATOM 829 CA CYS A 58 -1.206 16.049 -2.727 1.00 0.00 C ATOM 830 C CYS A 58 -2.188 17.211 -2.850 1.00 0.00 C ATOM 831 O CYS A 58 -2.997 17.452 -1.953 1.00 0.00 O ATOM 832 CB CYS A 58 -1.206 15.518 -1.292 1.00 0.00 C ATOM 833 SG CYS A 58 -0.281 13.964 -1.074 1.00 0.00 S ATOM 0 H CYS A 58 0.727 16.759 -2.338 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.524 15.254 -3.402 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.780 16.277 -0.635 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.237 15.362 -0.974 1.00 0.00 H new ATOM 0 HG CYS A 58 -0.505 13.180 -2.087 1.00 0.00 H new