USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 404 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 Single : A 1 VAL N :NH3+ 141:sc= -0.0129 (180deg=-0.158) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= -0.0315 X(o=-0.032,f=-0.032) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=-0.39) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.185 X(o=-0.19,f=-0.16) USER MOD Single : A 23 MET CE :methyl -169:sc= 0 (180deg=-0.235) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.772 K(o=0.77,f=-6.4!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 8.253 15.971 7.048 1.00 0.00 N ATOM 2 CA VAL A 1 7.600 15.201 8.130 1.00 0.00 C ATOM 3 C VAL A 1 6.163 14.891 7.882 1.00 0.00 C ATOM 4 O VAL A 1 5.449 15.665 7.248 1.00 0.00 O ATOM 5 CB VAL A 1 7.819 15.916 9.431 1.00 0.00 C ATOM 6 CG1 VAL A 1 7.161 17.306 9.449 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.355 15.092 10.643 1.00 0.00 C ATOM 0 H1 VAL A 1 8.899 16.673 7.462 1.00 0.00 H new ATOM 0 H2 VAL A 1 8.791 15.324 6.437 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.529 16.458 6.483 1.00 0.00 H new ATOM 0 HA VAL A 1 8.069 14.218 8.168 1.00 0.00 H new ATOM 0 HB VAL A 1 8.898 16.050 9.513 1.00 0.00 H new ATOM 0 HG11 VAL A 1 7.347 17.784 10.411 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.582 17.918 8.652 1.00 0.00 H new ATOM 0 HG13 VAL A 1 6.087 17.202 9.297 1.00 0.00 H new ATOM 0 HG21 VAL A 1 7.537 15.656 11.558 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.290 14.880 10.553 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.909 14.154 10.679 1.00 0.00 H new ATOM 19 N VAL A 2 5.655 13.743 8.363 1.00 0.00 N ATOM 20 CA VAL A 2 4.279 13.360 8.287 1.00 0.00 C ATOM 21 C VAL A 2 3.531 13.832 9.487 1.00 0.00 C ATOM 22 O VAL A 2 3.803 13.415 10.612 1.00 0.00 O ATOM 23 CB VAL A 2 4.097 11.874 8.188 1.00 0.00 C ATOM 24 CG1 VAL A 2 2.609 11.492 8.114 1.00 0.00 C ATOM 25 CG2 VAL A 2 4.822 11.344 6.941 1.00 0.00 C ATOM 0 H VAL A 2 6.235 13.045 8.829 1.00 0.00 H new ATOM 0 HA VAL A 2 3.891 13.825 7.381 1.00 0.00 H new ATOM 0 HB VAL A 2 4.521 11.425 9.086 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.515 10.408 8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.098 11.843 9.011 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.158 11.954 7.236 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.687 10.265 6.873 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.409 11.818 6.051 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.885 11.573 7.013 1.00 0.00 H new ATOM 35 N SER A 3 2.532 14.711 9.291 1.00 0.00 N ATOM 36 CA SER A 3 1.612 15.113 10.310 1.00 0.00 C ATOM 37 C SER A 3 0.218 14.783 9.902 1.00 0.00 C ATOM 38 O SER A 3 -0.536 14.184 10.668 1.00 0.00 O ATOM 39 CB SER A 3 1.660 16.617 10.625 1.00 0.00 C ATOM 40 OG SER A 3 2.940 16.996 11.110 1.00 0.00 O ATOM 0 H SER A 3 2.358 15.158 8.391 1.00 0.00 H new ATOM 0 HA SER A 3 1.912 14.568 11.205 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.424 17.188 9.727 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.899 16.861 11.367 1.00 0.00 H new ATOM 0 HG SER A 3 2.946 17.957 11.301 1.00 0.00 H new ATOM 46 N HIS A 4 -0.199 15.172 8.683 1.00 0.00 N ATOM 47 CA HIS A 4 -1.534 14.984 8.208 1.00 0.00 C ATOM 48 C HIS A 4 -1.638 13.849 7.248 1.00 0.00 C ATOM 49 O HIS A 4 -0.807 13.705 6.352 1.00 0.00 O ATOM 50 CB HIS A 4 -2.094 16.234 7.508 1.00 0.00 C ATOM 51 CG HIS A 4 -1.870 17.518 8.251 1.00 0.00 C ATOM 52 ND1 HIS A 4 -2.196 17.695 9.569 1.00 0.00 N ATOM 53 CD2 HIS A 4 -1.369 18.704 7.811 1.00 0.00 C ATOM 54 CE1 HIS A 4 -1.910 18.934 9.923 1.00 0.00 C ATOM 55 NE2 HIS A 4 -1.410 19.563 8.876 1.00 0.00 N ATOM 0 H HIS A 4 0.412 15.631 8.008 1.00 0.00 H new ATOM 0 HA HIS A 4 -2.118 14.771 9.103 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -1.639 16.316 6.521 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.165 16.100 7.355 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.010 18.924 6.817 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -2.060 19.361 10.904 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.103 20.536 8.863 1.00 0.00 H new ATOM 64 N PHE A 5 -2.686 13.017 7.380 1.00 0.00 N ATOM 65 CA PHE A 5 -2.965 11.915 6.513 1.00 0.00 C ATOM 66 C PHE A 5 -4.034 12.291 5.546 1.00 0.00 C ATOM 67 O PHE A 5 -4.939 13.054 5.879 1.00 0.00 O ATOM 68 CB PHE A 5 -3.388 10.701 7.356 1.00 0.00 C ATOM 69 CG PHE A 5 -3.295 9.414 6.609 1.00 0.00 C ATOM 70 CD1 PHE A 5 -2.080 8.790 6.459 1.00 0.00 C ATOM 71 CD2 PHE A 5 -4.420 8.821 6.085 1.00 0.00 C ATOM 72 CE1 PHE A 5 -1.983 7.588 5.799 1.00 0.00 C ATOM 73 CE2 PHE A 5 -4.335 7.620 5.420 1.00 0.00 C ATOM 74 CZ PHE A 5 -3.114 7.006 5.277 1.00 0.00 C ATOM 0 H PHE A 5 -3.372 13.118 8.128 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.071 11.653 5.946 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.759 10.646 8.245 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.413 10.843 7.699 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.191 9.249 6.864 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.380 9.303 6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.024 7.104 5.691 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.224 7.162 5.012 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.043 6.064 4.753 1.00 0.00 H new ATOM 84 N ASN A 6 -3.983 11.797 4.296 1.00 0.00 N ATOM 85 CA ASN A 6 -4.928 12.144 3.281 1.00 0.00 C ATOM 86 C ASN A 6 -5.288 10.959 2.451 1.00 0.00 C ATOM 87 O ASN A 6 -4.600 9.940 2.442 1.00 0.00 O ATOM 88 CB ASN A 6 -4.371 13.221 2.334 1.00 0.00 C ATOM 89 CG ASN A 6 -4.160 14.533 3.074 1.00 0.00 C ATOM 90 OD1 ASN A 6 -3.049 14.894 3.461 1.00 0.00 O ATOM 91 ND2 ASN A 6 -5.269 15.292 3.287 1.00 0.00 N ATOM 0 H ASN A 6 -3.268 11.141 3.984 1.00 0.00 H new ATOM 0 HA ASN A 6 -5.807 12.524 3.801 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -3.427 12.883 1.907 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -5.060 13.373 1.503 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -5.191 16.183 3.778 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.179 14.970 2.956 1.00 0.00 H new ATOM 98 N ASP A 7 -6.386 11.071 1.684 1.00 0.00 N ATOM 99 CA ASP A 7 -6.769 10.150 0.659 1.00 0.00 C ATOM 100 C ASP A 7 -6.380 10.669 -0.682 1.00 0.00 C ATOM 101 O ASP A 7 -6.218 11.870 -0.890 1.00 0.00 O ATOM 102 CB ASP A 7 -8.280 9.868 0.709 1.00 0.00 C ATOM 103 CG ASP A 7 -8.627 9.081 1.965 1.00 0.00 C ATOM 104 OD1 ASP A 7 -8.197 7.904 2.080 1.00 0.00 O ATOM 105 OD2 ASP A 7 -9.362 9.620 2.835 1.00 0.00 O ATOM 0 H ASP A 7 -7.042 11.846 1.784 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.243 9.212 0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.833 10.807 0.695 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.582 9.307 -0.175 1.00 0.00 H new ATOM 110 N CYS A 8 -6.201 9.762 -1.659 1.00 0.00 N ATOM 111 CA CYS A 8 -5.649 10.036 -2.950 1.00 0.00 C ATOM 112 C CYS A 8 -6.566 9.645 -4.056 1.00 0.00 C ATOM 113 O CYS A 8 -6.332 8.618 -4.692 1.00 0.00 O ATOM 114 CB CYS A 8 -4.294 9.320 -3.087 1.00 0.00 C ATOM 115 SG CYS A 8 -4.310 7.570 -2.603 1.00 0.00 S ATOM 0 H CYS A 8 -6.456 8.782 -1.541 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.507 11.114 -3.033 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.962 9.394 -4.123 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.558 9.845 -2.478 1.00 0.00 H new ATOM 120 N PRO A 9 -7.611 10.344 -4.389 1.00 0.00 N ATOM 121 CA PRO A 9 -8.578 9.866 -5.334 1.00 0.00 C ATOM 122 C PRO A 9 -8.120 9.946 -6.750 1.00 0.00 C ATOM 123 O PRO A 9 -8.615 9.194 -7.588 1.00 0.00 O ATOM 124 CB PRO A 9 -9.806 10.743 -5.100 1.00 0.00 C ATOM 125 CG PRO A 9 -9.247 12.054 -4.525 1.00 0.00 C ATOM 126 CD PRO A 9 -8.055 11.544 -3.698 1.00 0.00 C ATOM 0 HA PRO A 9 -8.774 8.805 -5.182 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.350 10.918 -6.028 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.502 10.272 -4.406 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.937 12.746 -5.308 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.979 12.577 -3.910 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.261 12.289 -3.648 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.350 11.324 -2.672 1.00 0.00 H new ATOM 134 N LEU A 10 -7.170 10.844 -7.067 1.00 0.00 N ATOM 135 CA LEU A 10 -6.636 11.038 -8.379 1.00 0.00 C ATOM 136 C LEU A 10 -5.765 9.913 -8.819 1.00 0.00 C ATOM 137 O LEU A 10 -5.660 9.619 -10.009 1.00 0.00 O ATOM 138 CB LEU A 10 -5.842 12.350 -8.503 1.00 0.00 C ATOM 139 CG LEU A 10 -6.619 13.622 -8.120 1.00 0.00 C ATOM 140 CD1 LEU A 10 -6.441 13.994 -6.638 1.00 0.00 C ATOM 141 CD2 LEU A 10 -6.163 14.803 -8.993 1.00 0.00 C ATOM 0 H LEU A 10 -6.754 11.465 -6.373 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.510 11.084 -9.029 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.955 12.281 -7.873 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.495 12.451 -9.531 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.675 13.411 -8.289 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.009 14.898 -6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.802 13.178 -6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.385 14.170 -6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.719 15.698 -8.714 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.097 14.976 -8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.349 14.573 -10.042 1.00 0.00 H new ATOM 153 N SER A 11 -5.108 9.223 -7.870 1.00 0.00 N ATOM 154 CA SER A 11 -4.228 8.125 -8.128 1.00 0.00 C ATOM 155 C SER A 11 -4.920 6.920 -8.666 1.00 0.00 C ATOM 156 O SER A 11 -5.691 6.255 -7.975 1.00 0.00 O ATOM 157 CB SER A 11 -3.460 7.650 -6.883 1.00 0.00 C ATOM 158 OG SER A 11 -2.464 8.586 -6.497 1.00 0.00 O ATOM 0 H SER A 11 -5.194 9.440 -6.877 1.00 0.00 H new ATOM 0 HA SER A 11 -3.544 8.538 -8.869 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.158 7.499 -6.059 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.995 6.686 -7.087 1.00 0.00 H new ATOM 0 HG SER A 11 -1.995 8.256 -5.702 1.00 0.00 H new ATOM 164 N HIS A 12 -4.643 6.572 -9.936 1.00 0.00 N ATOM 165 CA HIS A 12 -5.054 5.345 -10.544 1.00 0.00 C ATOM 166 C HIS A 12 -3.907 4.397 -10.458 1.00 0.00 C ATOM 167 O HIS A 12 -3.007 4.416 -11.295 1.00 0.00 O ATOM 168 CB HIS A 12 -5.456 5.509 -12.019 1.00 0.00 C ATOM 169 CG HIS A 12 -6.474 6.585 -12.254 1.00 0.00 C ATOM 170 ND1 HIS A 12 -6.121 7.905 -12.358 1.00 0.00 N ATOM 171 CD2 HIS A 12 -7.832 6.541 -12.321 1.00 0.00 C ATOM 172 CE1 HIS A 12 -7.212 8.639 -12.470 1.00 0.00 C ATOM 173 NE2 HIS A 12 -8.259 7.835 -12.459 1.00 0.00 N ATOM 0 H HIS A 12 -4.110 7.172 -10.565 1.00 0.00 H new ATOM 0 HA HIS A 12 -5.935 4.981 -10.016 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.565 5.731 -12.606 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -5.851 4.562 -12.385 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.452 5.658 -12.274 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.243 9.715 -12.556 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -9.232 8.131 -12.540 1.00 0.00 H new ATOM 182 N ASP A 13 -3.850 3.552 -9.412 1.00 0.00 N ATOM 183 CA ASP A 13 -2.703 2.739 -9.148 1.00 0.00 C ATOM 184 C ASP A 13 -2.579 1.582 -10.078 1.00 0.00 C ATOM 185 O ASP A 13 -3.541 1.123 -10.692 1.00 0.00 O ATOM 186 CB ASP A 13 -2.681 2.260 -7.688 1.00 0.00 C ATOM 187 CG ASP A 13 -2.615 3.456 -6.749 1.00 0.00 C ATOM 188 OD1 ASP A 13 -1.632 4.239 -6.845 1.00 0.00 O ATOM 189 OD2 ASP A 13 -3.552 3.615 -5.922 1.00 0.00 O ATOM 0 H ASP A 13 -4.609 3.432 -8.741 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.837 3.378 -9.322 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.573 1.670 -7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.822 1.610 -7.523 1.00 0.00 H new ATOM 194 N GLY A 14 -1.343 1.075 -10.241 1.00 0.00 N ATOM 195 CA GLY A 14 -1.050 0.037 -11.179 1.00 0.00 C ATOM 196 C GLY A 14 0.283 -0.596 -10.971 1.00 0.00 C ATOM 197 O GLY A 14 0.510 -1.725 -11.402 1.00 0.00 O ATOM 0 H GLY A 14 -0.532 1.393 -9.710 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.822 -0.730 -11.112 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.095 0.447 -12.188 1.00 0.00 H new ATOM 201 N TYR A 15 1.213 0.113 -10.307 1.00 0.00 N ATOM 202 CA TYR A 15 2.537 -0.329 -9.995 1.00 0.00 C ATOM 203 C TYR A 15 2.560 -1.088 -8.713 1.00 0.00 C ATOM 204 O TYR A 15 3.261 -2.088 -8.571 1.00 0.00 O ATOM 205 CB TYR A 15 3.451 0.906 -9.917 1.00 0.00 C ATOM 206 CG TYR A 15 4.897 0.548 -9.972 1.00 0.00 C ATOM 207 CD1 TYR A 15 5.424 0.038 -11.135 1.00 0.00 C ATOM 208 CD2 TYR A 15 5.710 0.712 -8.875 1.00 0.00 C ATOM 209 CE1 TYR A 15 6.752 -0.315 -11.196 1.00 0.00 C ATOM 210 CE2 TYR A 15 7.040 0.371 -8.936 1.00 0.00 C ATOM 211 CZ TYR A 15 7.563 -0.145 -10.099 1.00 0.00 C ATOM 212 OH TYR A 15 8.918 -0.531 -10.174 1.00 0.00 O ATOM 0 H TYR A 15 1.027 1.056 -9.966 1.00 0.00 H new ATOM 0 HA TYR A 15 2.892 -1.005 -10.773 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.215 1.581 -10.739 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.248 1.447 -8.992 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.793 -0.086 -12.003 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.300 1.112 -7.959 1.00 0.00 H new ATOM 0 HE1 TYR A 15 7.159 -0.727 -12.108 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.674 0.508 -8.072 1.00 0.00 H new ATOM 0 HH TYR A 15 9.359 -0.346 -9.318 1.00 0.00 H new ATOM 222 N CYS A 16 1.760 -0.660 -7.720 1.00 0.00 N ATOM 223 CA CYS A 16 1.621 -1.358 -6.479 1.00 0.00 C ATOM 224 C CYS A 16 0.529 -2.363 -6.605 1.00 0.00 C ATOM 225 O CYS A 16 -0.656 -2.035 -6.641 1.00 0.00 O ATOM 226 CB CYS A 16 1.326 -0.403 -5.311 1.00 0.00 C ATOM 227 SG CYS A 16 2.705 0.745 -5.030 1.00 0.00 S ATOM 0 H CYS A 16 1.198 0.189 -7.780 1.00 0.00 H new ATOM 0 HA CYS A 16 2.566 -1.854 -6.259 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.418 0.162 -5.521 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.140 -0.980 -4.405 1.00 0.00 H new ATOM 232 N LEU A 17 0.919 -3.644 -6.723 1.00 0.00 N ATOM 233 CA LEU A 17 0.071 -4.715 -7.147 1.00 0.00 C ATOM 234 C LEU A 17 -0.741 -5.255 -6.021 1.00 0.00 C ATOM 235 O LEU A 17 -0.523 -4.931 -4.854 1.00 0.00 O ATOM 236 CB LEU A 17 0.901 -5.829 -7.807 1.00 0.00 C ATOM 237 CG LEU A 17 1.877 -5.339 -8.889 1.00 0.00 C ATOM 238 CD1 LEU A 17 2.782 -6.482 -9.379 1.00 0.00 C ATOM 239 CD2 LEU A 17 1.165 -4.685 -10.086 1.00 0.00 C ATOM 0 H LEU A 17 1.870 -3.948 -6.513 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.624 -4.315 -7.885 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.466 -6.350 -7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.222 -6.557 -8.251 1.00 0.00 H new ATOM 0 HG LEU A 17 2.490 -4.572 -8.416 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.462 -6.106 -10.144 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.359 -6.874 -8.541 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.167 -7.278 -9.800 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.906 -4.359 -10.816 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.493 -5.408 -10.549 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.592 -3.824 -9.742 1.00 0.00 H new ATOM 251 N HIS A 18 -1.749 -6.089 -6.335 1.00 0.00 N ATOM 252 CA HIS A 18 -2.650 -6.659 -5.382 1.00 0.00 C ATOM 253 C HIS A 18 -3.450 -5.646 -4.638 1.00 0.00 C ATOM 254 O HIS A 18 -3.834 -5.838 -3.485 1.00 0.00 O ATOM 255 CB HIS A 18 -1.900 -7.646 -4.472 1.00 0.00 C ATOM 256 CG HIS A 18 -2.716 -8.595 -3.644 1.00 0.00 C ATOM 257 ND1 HIS A 18 -2.857 -8.447 -2.290 1.00 0.00 N ATOM 258 CD2 HIS A 18 -3.363 -9.743 -3.979 1.00 0.00 C ATOM 259 CE1 HIS A 18 -3.575 -9.447 -1.818 1.00 0.00 C ATOM 260 NE2 HIS A 18 -3.893 -10.245 -2.820 1.00 0.00 N ATOM 0 H HIS A 18 -1.944 -6.378 -7.294 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.402 -7.225 -5.932 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.232 -8.238 -5.098 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.272 -7.066 -3.795 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.443 -10.175 -4.966 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.856 -9.589 -0.785 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.445 -11.099 -2.744 1.00 0.00 H new ATOM 269 N ASP A 19 -3.736 -4.512 -5.303 1.00 0.00 N ATOM 270 CA ASP A 19 -4.378 -3.330 -4.814 1.00 0.00 C ATOM 271 C ASP A 19 -3.766 -2.736 -3.594 1.00 0.00 C ATOM 272 O ASP A 19 -4.288 -2.834 -2.484 1.00 0.00 O ATOM 273 CB ASP A 19 -5.905 -3.475 -4.700 1.00 0.00 C ATOM 274 CG ASP A 19 -6.547 -3.858 -6.026 1.00 0.00 C ATOM 275 OD1 ASP A 19 -6.138 -3.323 -7.091 1.00 0.00 O ATOM 276 OD2 ASP A 19 -7.500 -4.682 -6.005 1.00 0.00 O ATOM 0 H ASP A 19 -3.490 -4.416 -6.288 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.190 -2.593 -5.595 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.142 -4.232 -3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.332 -2.536 -4.349 1.00 0.00 H new ATOM 281 N GLY A 20 -2.621 -2.050 -3.751 1.00 0.00 N ATOM 282 CA GLY A 20 -1.928 -1.394 -2.685 1.00 0.00 C ATOM 283 C GLY A 20 -2.622 -0.206 -2.115 1.00 0.00 C ATOM 284 O GLY A 20 -3.384 0.487 -2.785 1.00 0.00 O ATOM 0 H GLY A 20 -2.159 -1.948 -4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.759 -2.115 -1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.948 -1.084 -3.047 1.00 0.00 H new ATOM 288 N VAL A 21 -2.382 0.080 -0.823 1.00 0.00 N ATOM 289 CA VAL A 21 -2.955 1.171 -0.097 1.00 0.00 C ATOM 290 C VAL A 21 -2.102 2.375 -0.300 1.00 0.00 C ATOM 291 O VAL A 21 -0.894 2.341 -0.067 1.00 0.00 O ATOM 292 CB VAL A 21 -3.089 0.854 1.363 1.00 0.00 C ATOM 293 CG1 VAL A 21 -3.794 1.991 2.121 1.00 0.00 C ATOM 294 CG2 VAL A 21 -3.879 -0.455 1.534 1.00 0.00 C ATOM 0 H VAL A 21 -1.751 -0.483 -0.252 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.961 1.360 -0.472 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.089 0.741 1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.875 1.729 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.216 2.910 2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.791 2.141 1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.976 -0.685 2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.870 -0.342 1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.351 -1.267 1.034 1.00 0.00 H new ATOM 304 N CYS A 22 -2.692 3.488 -0.770 1.00 0.00 N ATOM 305 CA CYS A 22 -1.997 4.654 -1.223 1.00 0.00 C ATOM 306 C CYS A 22 -1.991 5.715 -0.175 1.00 0.00 C ATOM 307 O CYS A 22 -3.032 6.138 0.323 1.00 0.00 O ATOM 308 CB CYS A 22 -2.630 5.122 -2.544 1.00 0.00 C ATOM 309 SG CYS A 22 -2.455 6.864 -3.027 1.00 0.00 S ATOM 0 H CYS A 22 -3.706 3.580 -0.838 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.950 4.418 -1.411 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.211 4.513 -3.345 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.696 4.898 -2.497 1.00 0.00 H new ATOM 314 N MET A 23 -0.792 6.204 0.186 1.00 0.00 N ATOM 315 CA MET A 23 -0.628 7.275 1.120 1.00 0.00 C ATOM 316 C MET A 23 0.174 8.392 0.545 1.00 0.00 C ATOM 317 O MET A 23 1.393 8.310 0.408 1.00 0.00 O ATOM 318 CB MET A 23 -0.094 6.780 2.474 1.00 0.00 C ATOM 319 CG MET A 23 1.166 5.913 2.443 1.00 0.00 C ATOM 320 SD MET A 23 1.509 5.133 4.050 1.00 0.00 S ATOM 321 CE MET A 23 3.034 4.285 3.547 1.00 0.00 C ATOM 0 H MET A 23 0.089 5.845 -0.182 1.00 0.00 H new ATOM 0 HA MET A 23 -1.617 7.687 1.323 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.108 7.650 3.098 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.885 6.212 2.964 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.053 5.140 1.683 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.019 6.526 2.150 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.329 3.577 4.321 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.862 3.750 2.613 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.828 5.018 3.404 1.00 0.00 H new ATOM 331 N TYR A 24 -0.502 9.493 0.171 1.00 0.00 N ATOM 332 CA TYR A 24 0.059 10.731 -0.275 1.00 0.00 C ATOM 333 C TYR A 24 -0.008 11.734 0.825 1.00 0.00 C ATOM 334 O TYR A 24 -1.073 12.233 1.188 1.00 0.00 O ATOM 335 CB TYR A 24 -0.686 11.237 -1.522 1.00 0.00 C ATOM 336 CG TYR A 24 -0.374 12.601 -2.034 1.00 0.00 C ATOM 337 CD1 TYR A 24 0.814 13.265 -1.842 1.00 0.00 C ATOM 338 CD2 TYR A 24 -1.382 13.227 -2.729 1.00 0.00 C ATOM 339 CE1 TYR A 24 0.974 14.556 -2.289 1.00 0.00 C ATOM 340 CE2 TYR A 24 -1.228 14.518 -3.176 1.00 0.00 C ATOM 341 CZ TYR A 24 -0.054 15.194 -2.944 1.00 0.00 C ATOM 342 OH TYR A 24 0.064 16.536 -3.360 1.00 0.00 O ATOM 0 H TYR A 24 -1.522 9.518 0.182 1.00 0.00 H new ATOM 0 HA TYR A 24 1.103 10.576 -0.546 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.499 10.529 -2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.754 11.200 -1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.629 12.769 -1.336 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.304 12.699 -2.926 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.909 15.070 -2.125 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.032 15.002 -3.711 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.763 16.814 -3.806 1.00 0.00 H new ATOM 352 N ILE A 25 1.159 12.113 1.375 1.00 0.00 N ATOM 353 CA ILE A 25 1.273 13.109 2.395 1.00 0.00 C ATOM 354 C ILE A 25 1.824 14.342 1.765 1.00 0.00 C ATOM 355 O ILE A 25 2.913 14.347 1.194 1.00 0.00 O ATOM 356 CB ILE A 25 2.137 12.614 3.516 1.00 0.00 C ATOM 357 CG1 ILE A 25 1.522 11.387 4.210 1.00 0.00 C ATOM 358 CG2 ILE A 25 2.360 13.734 4.545 1.00 0.00 C ATOM 359 CD1 ILE A 25 2.047 10.043 3.705 1.00 0.00 C ATOM 0 H ILE A 25 2.056 11.712 1.100 1.00 0.00 H new ATOM 0 HA ILE A 25 0.300 13.333 2.831 1.00 0.00 H new ATOM 0 HB ILE A 25 3.093 12.314 3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.712 11.458 5.281 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.441 11.414 4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.989 13.364 5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.850 14.579 4.062 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.399 14.054 4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.559 9.234 4.249 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.833 9.945 2.641 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.124 9.990 3.864 1.00 0.00 H new ATOM 371 N GLU A 26 1.084 15.462 1.862 1.00 0.00 N ATOM 372 CA GLU A 26 1.377 16.736 1.285 1.00 0.00 C ATOM 373 C GLU A 26 2.710 17.270 1.681 1.00 0.00 C ATOM 374 O GLU A 26 3.513 17.644 0.827 1.00 0.00 O ATOM 375 CB GLU A 26 0.286 17.727 1.724 1.00 0.00 C ATOM 376 CG GLU A 26 0.507 19.203 1.384 1.00 0.00 C ATOM 377 CD GLU A 26 -0.330 20.126 2.258 1.00 0.00 C ATOM 378 OE1 GLU A 26 -0.221 20.036 3.511 1.00 0.00 O ATOM 379 OE2 GLU A 26 -1.049 20.998 1.704 1.00 0.00 O ATOM 0 H GLU A 26 0.210 15.474 2.388 1.00 0.00 H new ATOM 0 HA GLU A 26 1.399 16.610 0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.656 17.414 1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.167 17.643 2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.562 19.448 1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.259 19.374 0.336 1.00 0.00 H new ATOM 386 N ALA A 27 3.030 17.275 2.987 1.00 0.00 N ATOM 387 CA ALA A 27 4.254 17.760 3.545 1.00 0.00 C ATOM 388 C ALA A 27 5.507 17.119 3.056 1.00 0.00 C ATOM 389 O ALA A 27 6.589 17.697 3.159 1.00 0.00 O ATOM 390 CB ALA A 27 4.194 17.589 5.073 1.00 0.00 C ATOM 0 H ALA A 27 2.392 16.917 3.698 1.00 0.00 H new ATOM 0 HA ALA A 27 4.318 18.799 3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.120 17.954 5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.353 18.157 5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.066 16.534 5.316 1.00 0.00 H new ATOM 396 N LEU A 28 5.415 15.909 2.476 1.00 0.00 N ATOM 397 CA LEU A 28 6.541 15.223 1.923 1.00 0.00 C ATOM 398 C LEU A 28 6.747 15.566 0.489 1.00 0.00 C ATOM 399 O LEU A 28 7.870 15.490 -0.007 1.00 0.00 O ATOM 400 CB LEU A 28 6.356 13.697 1.988 1.00 0.00 C ATOM 401 CG LEU A 28 5.932 13.116 3.347 1.00 0.00 C ATOM 402 CD1 LEU A 28 5.914 11.580 3.254 1.00 0.00 C ATOM 403 CD2 LEU A 28 6.809 13.574 4.525 1.00 0.00 C ATOM 0 H LEU A 28 4.538 15.396 2.389 1.00 0.00 H new ATOM 0 HA LEU A 28 7.398 15.537 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.609 13.412 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.294 13.226 1.693 1.00 0.00 H new ATOM 0 HG LEU A 28 4.935 13.501 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.614 11.161 4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.205 11.270 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.910 11.219 2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.445 13.121 5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.840 13.266 4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.764 14.660 4.612 1.00 0.00 H new ATOM 415 N ASP A 29 5.644 15.880 -0.215 1.00 0.00 N ATOM 416 CA ASP A 29 5.424 15.931 -1.627 1.00 0.00 C ATOM 417 C ASP A 29 5.462 14.595 -2.288 1.00 0.00 C ATOM 418 O ASP A 29 5.419 14.476 -3.511 1.00 0.00 O ATOM 419 CB ASP A 29 6.333 16.929 -2.364 1.00 0.00 C ATOM 420 CG ASP A 29 6.001 18.374 -2.020 1.00 0.00 C ATOM 421 OD1 ASP A 29 4.874 18.824 -2.359 1.00 0.00 O ATOM 422 OD2 ASP A 29 6.861 19.092 -1.442 1.00 0.00 O ATOM 0 H ASP A 29 4.790 16.133 0.282 1.00 0.00 H new ATOM 0 HA ASP A 29 4.404 16.305 -1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.373 16.727 -2.109 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.234 16.782 -3.439 1.00 0.00 H new ATOM 427 N LYS A 30 5.485 13.504 -1.502 1.00 0.00 N ATOM 428 CA LYS A 30 5.674 12.162 -1.958 1.00 0.00 C ATOM 429 C LYS A 30 4.573 11.266 -1.507 1.00 0.00 C ATOM 430 O LYS A 30 3.810 11.571 -0.590 1.00 0.00 O ATOM 431 CB LYS A 30 6.994 11.556 -1.449 1.00 0.00 C ATOM 432 CG LYS A 30 8.266 12.324 -1.814 1.00 0.00 C ATOM 433 CD LYS A 30 8.383 12.607 -3.312 1.00 0.00 C ATOM 434 CE LYS A 30 9.756 13.118 -3.755 1.00 0.00 C ATOM 435 NZ LYS A 30 9.683 13.503 -5.183 1.00 0.00 N ATOM 0 H LYS A 30 5.365 13.562 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 30 5.690 12.227 -3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.940 11.476 -0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.080 10.542 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.283 13.268 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.135 11.752 -1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.155 11.693 -3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.628 13.343 -3.590 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.054 13.973 -3.148 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.511 12.345 -3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.611 13.852 -5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.414 12.675 -5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.972 14.252 -5.305 1.00 0.00 H new ATOM 449 N TYR A 31 4.480 10.088 -2.149 1.00 0.00 N ATOM 450 CA TYR A 31 3.576 9.041 -1.788 1.00 0.00 C ATOM 451 C TYR A 31 4.312 7.750 -1.672 1.00 0.00 C ATOM 452 O TYR A 31 5.449 7.605 -2.117 1.00 0.00 O ATOM 453 CB TYR A 31 2.354 8.879 -2.708 1.00 0.00 C ATOM 454 CG TYR A 31 2.483 9.482 -4.065 1.00 0.00 C ATOM 455 CD1 TYR A 31 2.290 10.833 -4.231 1.00 0.00 C ATOM 456 CD2 TYR A 31 2.684 8.695 -5.174 1.00 0.00 C ATOM 457 CE1 TYR A 31 2.268 11.391 -5.488 1.00 0.00 C ATOM 458 CE2 TYR A 31 2.672 9.247 -6.434 1.00 0.00 C ATOM 459 CZ TYR A 31 2.449 10.593 -6.593 1.00 0.00 C ATOM 460 OH TYR A 31 2.351 11.158 -7.883 1.00 0.00 O ATOM 0 H TYR A 31 5.060 9.855 -2.955 1.00 0.00 H new ATOM 0 HA TYR A 31 3.163 9.339 -0.825 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.146 7.815 -2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.489 9.322 -2.214 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.154 11.463 -3.365 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.853 7.635 -5.055 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.109 12.453 -5.607 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.838 8.622 -7.299 1.00 0.00 H new ATOM 0 HH TYR A 31 2.505 10.463 -8.557 1.00 0.00 H new ATOM 470 N ALA A 32 3.672 6.759 -1.027 1.00 0.00 N ATOM 471 CA ALA A 32 4.166 5.419 -0.943 1.00 0.00 C ATOM 472 C ALA A 32 3.015 4.474 -0.941 1.00 0.00 C ATOM 473 O ALA A 32 1.855 4.880 -0.991 1.00 0.00 O ATOM 474 CB ALA A 32 5.033 5.241 0.314 1.00 0.00 C ATOM 0 H ALA A 32 2.782 6.894 -0.548 1.00 0.00 H new ATOM 0 HA ALA A 32 4.796 5.207 -1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.400 4.216 0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.879 5.927 0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.436 5.454 1.201 1.00 0.00 H new ATOM 480 N CYS A 33 3.305 3.161 -0.904 1.00 0.00 N ATOM 481 CA CYS A 33 2.322 2.124 -0.837 1.00 0.00 C ATOM 482 C CYS A 33 2.476 1.336 0.418 1.00 0.00 C ATOM 483 O CYS A 33 3.586 1.061 0.872 1.00 0.00 O ATOM 484 CB CYS A 33 2.418 1.165 -2.035 1.00 0.00 C ATOM 485 SG CYS A 33 2.013 2.002 -3.595 1.00 0.00 S ATOM 0 H CYS A 33 4.262 2.808 -0.921 1.00 0.00 H new ATOM 0 HA CYS A 33 1.348 2.612 -0.856 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.426 0.754 -2.093 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.739 0.325 -1.885 1.00 0.00 H new ATOM 490 N ASN A 34 1.352 0.951 1.048 1.00 0.00 N ATOM 491 CA ASN A 34 1.306 0.035 2.146 1.00 0.00 C ATOM 492 C ASN A 34 0.482 -1.130 1.717 1.00 0.00 C ATOM 493 O ASN A 34 -0.417 -0.986 0.891 1.00 0.00 O ATOM 494 CB ASN A 34 0.726 0.760 3.373 1.00 0.00 C ATOM 495 CG ASN A 34 0.855 -0.046 4.656 1.00 0.00 C ATOM 496 OD1 ASN A 34 1.930 -0.161 5.242 1.00 0.00 O ATOM 497 ND2 ASN A 34 -0.286 -0.624 5.122 1.00 0.00 N ATOM 0 H ASN A 34 0.430 1.295 0.779 1.00 0.00 H new ATOM 0 HA ASN A 34 2.294 -0.328 2.430 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.236 1.715 3.498 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -0.326 0.981 3.194 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.266 -1.172 5.982 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.161 -0.509 4.611 1.00 0.00 H new ATOM 504 N CYS A 35 0.744 -2.343 2.236 1.00 0.00 N ATOM 505 CA CYS A 35 0.018 -3.517 1.864 1.00 0.00 C ATOM 506 C CYS A 35 -0.502 -4.227 3.066 1.00 0.00 C ATOM 507 O CYS A 35 -0.245 -3.854 4.210 1.00 0.00 O ATOM 508 CB CYS A 35 0.887 -4.466 1.021 1.00 0.00 C ATOM 509 SG CYS A 35 1.396 -3.685 -0.538 1.00 0.00 S ATOM 0 H CYS A 35 1.475 -2.511 2.928 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.829 -3.198 1.256 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.770 -4.756 1.590 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.331 -5.379 0.808 1.00 0.00 H new ATOM 514 N VAL A 36 -1.300 -5.286 2.839 1.00 0.00 N ATOM 515 CA VAL A 36 -1.912 -6.084 3.856 1.00 0.00 C ATOM 516 C VAL A 36 -1.055 -7.229 4.271 1.00 0.00 C ATOM 517 O VAL A 36 -0.059 -7.565 3.632 1.00 0.00 O ATOM 518 CB VAL A 36 -3.260 -6.576 3.416 1.00 0.00 C ATOM 519 CG1 VAL A 36 -4.277 -5.434 3.575 1.00 0.00 C ATOM 520 CG2 VAL A 36 -3.220 -7.073 1.961 1.00 0.00 C ATOM 0 H VAL A 36 -1.530 -5.602 1.897 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.038 -5.439 4.725 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.557 -7.421 4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.262 -5.777 3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.318 -5.126 4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.973 -4.588 2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.210 -7.424 1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.916 -6.257 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.505 -7.892 1.876 1.00 0.00 H new ATOM 530 N VAL A 37 -1.416 -7.875 5.395 1.00 0.00 N ATOM 531 CA VAL A 37 -0.669 -8.936 5.995 1.00 0.00 C ATOM 532 C VAL A 37 -0.840 -10.214 5.248 1.00 0.00 C ATOM 533 O VAL A 37 -1.942 -10.634 4.899 1.00 0.00 O ATOM 534 CB VAL A 37 -1.027 -9.125 7.440 1.00 0.00 C ATOM 535 CG1 VAL A 37 -0.165 -10.210 8.106 1.00 0.00 C ATOM 536 CG2 VAL A 37 -0.827 -7.800 8.195 1.00 0.00 C ATOM 0 H VAL A 37 -2.267 -7.647 5.908 1.00 0.00 H new ATOM 0 HA VAL A 37 0.381 -8.647 5.945 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.069 -9.441 7.484 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.456 -10.315 9.151 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.313 -11.159 7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.886 -9.926 8.049 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.087 -7.937 9.245 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.215 -7.490 8.117 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.467 -7.033 7.760 1.00 0.00 H new ATOM 546 N GLY A 38 0.286 -10.886 4.951 1.00 0.00 N ATOM 547 CA GLY A 38 0.378 -12.128 4.249 1.00 0.00 C ATOM 548 C GLY A 38 0.745 -11.935 2.818 1.00 0.00 C ATOM 549 O GLY A 38 0.634 -12.861 2.016 1.00 0.00 O ATOM 0 H GLY A 38 1.203 -10.532 5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.121 -12.763 4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.576 -12.651 4.311 1.00 0.00 H new ATOM 553 N TYR A 39 1.275 -10.745 2.484 1.00 0.00 N ATOM 554 CA TYR A 39 1.553 -10.337 1.141 1.00 0.00 C ATOM 555 C TYR A 39 2.774 -9.484 1.148 1.00 0.00 C ATOM 556 O TYR A 39 2.736 -8.336 1.587 1.00 0.00 O ATOM 557 CB TYR A 39 0.389 -9.549 0.515 1.00 0.00 C ATOM 558 CG TYR A 39 -0.810 -10.422 0.376 1.00 0.00 C ATOM 559 CD1 TYR A 39 -0.883 -11.321 -0.663 1.00 0.00 C ATOM 560 CD2 TYR A 39 -1.811 -10.404 1.318 1.00 0.00 C ATOM 561 CE1 TYR A 39 -1.940 -12.195 -0.756 1.00 0.00 C ATOM 562 CE2 TYR A 39 -2.874 -11.271 1.232 1.00 0.00 C ATOM 563 CZ TYR A 39 -2.934 -12.171 0.193 1.00 0.00 C ATOM 564 OH TYR A 39 -4.005 -13.085 0.099 1.00 0.00 O ATOM 0 H TYR A 39 1.520 -10.038 3.177 1.00 0.00 H new ATOM 0 HA TYR A 39 1.700 -11.234 0.539 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.149 -8.686 1.136 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.684 -9.166 -0.462 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.104 -11.340 -1.411 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.762 -9.700 2.136 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.989 -12.899 -1.573 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.657 -11.246 1.975 1.00 0.00 H new ATOM 0 HH TYR A 39 -4.624 -12.941 0.845 1.00 0.00 H new ATOM 574 N ILE A 40 3.925 -10.010 0.692 1.00 0.00 N ATOM 575 CA ILE A 40 5.196 -9.389 0.895 1.00 0.00 C ATOM 576 C ILE A 40 5.942 -9.048 -0.350 1.00 0.00 C ATOM 577 O ILE A 40 5.614 -9.425 -1.474 1.00 0.00 O ATOM 578 CB ILE A 40 6.097 -10.142 1.829 1.00 0.00 C ATOM 579 CG1 ILE A 40 6.558 -11.508 1.291 1.00 0.00 C ATOM 580 CG2 ILE A 40 5.397 -10.274 3.192 1.00 0.00 C ATOM 581 CD1 ILE A 40 7.662 -12.125 2.147 1.00 0.00 C ATOM 0 H ILE A 40 3.973 -10.886 0.171 1.00 0.00 H new ATOM 0 HA ILE A 40 4.915 -8.448 1.367 1.00 0.00 H new ATOM 0 HB ILE A 40 7.018 -9.568 1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.707 -12.188 1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.917 -11.391 0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.042 -10.820 3.881 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.194 -9.282 3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.458 -10.814 3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.953 -13.088 1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.525 -11.460 2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.297 -12.269 3.164 1.00 0.00 H new ATOM 593 N GLY A 41 7.024 -8.273 -0.162 1.00 0.00 N ATOM 594 CA GLY A 41 7.926 -7.814 -1.172 1.00 0.00 C ATOM 595 C GLY A 41 7.554 -6.457 -1.663 1.00 0.00 C ATOM 596 O GLY A 41 6.606 -5.829 -1.194 1.00 0.00 O ATOM 0 H GLY A 41 7.287 -7.943 0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.940 -7.792 -0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.927 -8.516 -2.006 1.00 0.00 H new ATOM 600 N GLU A 42 8.314 -5.945 -2.647 1.00 0.00 N ATOM 601 CA GLU A 42 8.346 -4.563 -3.013 1.00 0.00 C ATOM 602 C GLU A 42 7.110 -4.095 -3.702 1.00 0.00 C ATOM 603 O GLU A 42 6.679 -2.950 -3.566 1.00 0.00 O ATOM 604 CB GLU A 42 9.605 -4.319 -3.862 1.00 0.00 C ATOM 605 CG GLU A 42 9.897 -2.858 -4.207 1.00 0.00 C ATOM 606 CD GLU A 42 11.336 -2.703 -4.677 1.00 0.00 C ATOM 607 OE1 GLU A 42 11.710 -3.322 -5.709 1.00 0.00 O ATOM 608 OE2 GLU A 42 12.121 -1.988 -3.999 1.00 0.00 O ATOM 0 H GLU A 42 8.935 -6.522 -3.214 1.00 0.00 H new ATOM 0 HA GLU A 42 8.386 -3.969 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.465 -4.727 -3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.509 -4.881 -4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.214 -2.518 -4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.723 -2.229 -3.334 1.00 0.00 H new ATOM 615 N ARG A 43 6.474 -5.006 -4.460 1.00 0.00 N ATOM 616 CA ARG A 43 5.252 -4.780 -5.168 1.00 0.00 C ATOM 617 C ARG A 43 4.137 -5.582 -4.589 1.00 0.00 C ATOM 618 O ARG A 43 3.046 -5.625 -5.155 1.00 0.00 O ATOM 619 CB ARG A 43 5.432 -5.093 -6.663 1.00 0.00 C ATOM 620 CG ARG A 43 6.141 -6.412 -6.976 1.00 0.00 C ATOM 621 CD ARG A 43 7.634 -6.306 -7.289 1.00 0.00 C ATOM 622 NE ARG A 43 7.777 -5.693 -8.640 1.00 0.00 N ATOM 623 CZ ARG A 43 7.728 -6.386 -9.815 1.00 0.00 C ATOM 624 NH1 ARG A 43 7.610 -7.747 -9.853 1.00 0.00 N ATOM 625 NH2 ARG A 43 7.775 -5.713 -11.001 1.00 0.00 N ATOM 0 H ARG A 43 6.833 -5.953 -4.585 1.00 0.00 H new ATOM 0 HA ARG A 43 4.991 -3.727 -5.064 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.450 -5.107 -7.135 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.994 -4.280 -7.122 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.014 -7.082 -6.126 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.643 -6.878 -7.826 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.139 -5.697 -6.539 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.099 -7.291 -7.266 1.00 0.00 H new ATOM 0 HE ARG A 43 7.922 -4.685 -8.690 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.555 -8.279 -8.984 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.576 -8.231 -10.750 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.847 -4.696 -11.008 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.739 -6.227 -11.881 1.00 0.00 H new ATOM 639 N CYS A 44 4.358 -6.231 -3.432 1.00 0.00 N ATOM 640 CA CYS A 44 3.406 -7.001 -2.695 1.00 0.00 C ATOM 641 C CYS A 44 2.809 -8.166 -3.405 1.00 0.00 C ATOM 642 O CYS A 44 1.652 -8.529 -3.199 1.00 0.00 O ATOM 643 CB CYS A 44 2.310 -6.123 -2.066 1.00 0.00 C ATOM 644 SG CYS A 44 3.021 -4.763 -1.096 1.00 0.00 S ATOM 0 H CYS A 44 5.272 -6.215 -2.979 1.00 0.00 H new ATOM 0 HA CYS A 44 4.012 -7.444 -1.904 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.673 -5.717 -2.851 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.675 -6.735 -1.425 1.00 0.00 H new ATOM 649 N GLN A 45 3.585 -8.836 -4.276 1.00 0.00 N ATOM 650 CA GLN A 45 3.098 -9.921 -5.072 1.00 0.00 C ATOM 651 C GLN A 45 3.199 -11.255 -4.415 1.00 0.00 C ATOM 652 O GLN A 45 2.444 -12.168 -4.741 1.00 0.00 O ATOM 653 CB GLN A 45 3.737 -9.963 -6.471 1.00 0.00 C ATOM 654 CG GLN A 45 5.211 -10.363 -6.556 1.00 0.00 C ATOM 655 CD GLN A 45 5.933 -9.841 -7.791 1.00 0.00 C ATOM 656 OE1 GLN A 45 7.108 -9.479 -7.743 1.00 0.00 O ATOM 657 NE2 GLN A 45 5.218 -9.769 -8.944 1.00 0.00 N ATOM 0 H GLN A 45 4.570 -8.620 -4.431 1.00 0.00 H new ATOM 0 HA GLN A 45 2.035 -9.709 -5.185 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.163 -10.658 -7.084 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.628 -8.976 -6.921 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.726 -9.998 -5.667 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.281 -11.451 -6.541 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.245 -10.075 -8.961 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.654 -9.409 -9.793 1.00 0.00 H new ATOM 666 N TYR A 46 4.120 -11.436 -3.450 1.00 0.00 N ATOM 667 CA TYR A 46 4.402 -12.730 -2.909 1.00 0.00 C ATOM 668 C TYR A 46 3.435 -13.086 -1.834 1.00 0.00 C ATOM 669 O TYR A 46 3.000 -12.230 -1.065 1.00 0.00 O ATOM 670 CB TYR A 46 5.811 -12.830 -2.299 1.00 0.00 C ATOM 671 CG TYR A 46 6.940 -12.441 -3.191 1.00 0.00 C ATOM 672 CD1 TYR A 46 6.882 -12.440 -4.565 1.00 0.00 C ATOM 673 CD2 TYR A 46 8.111 -12.066 -2.576 1.00 0.00 C ATOM 674 CE1 TYR A 46 7.963 -12.029 -5.308 1.00 0.00 C ATOM 675 CE2 TYR A 46 9.197 -11.651 -3.310 1.00 0.00 C ATOM 676 CZ TYR A 46 9.116 -11.617 -4.682 1.00 0.00 C ATOM 677 OH TYR A 46 10.209 -11.148 -5.443 1.00 0.00 O ATOM 0 H TYR A 46 4.672 -10.681 -3.043 1.00 0.00 H new ATOM 0 HA TYR A 46 4.323 -13.415 -3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.845 -12.202 -1.409 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.971 -13.857 -1.971 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.981 -12.764 -5.064 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.179 -12.098 -1.499 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.907 -12.030 -6.387 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.108 -11.354 -2.812 1.00 0.00 H new ATOM 0 HH TYR A 46 10.942 -10.897 -4.843 1.00 0.00 H new ATOM 687 N ARG A 47 3.072 -14.376 -1.727 1.00 0.00 N ATOM 688 CA ARG A 47 2.142 -14.871 -0.760 1.00 0.00 C ATOM 689 C ARG A 47 2.885 -15.477 0.380 1.00 0.00 C ATOM 690 O ARG A 47 3.776 -16.300 0.179 1.00 0.00 O ATOM 691 CB ARG A 47 1.261 -15.937 -1.432 1.00 0.00 C ATOM 692 CG ARG A 47 0.204 -16.599 -0.546 1.00 0.00 C ATOM 693 CD ARG A 47 -0.566 -17.722 -1.244 1.00 0.00 C ATOM 694 NE ARG A 47 -1.468 -17.107 -2.258 1.00 0.00 N ATOM 695 CZ ARG A 47 -1.676 -17.569 -3.526 1.00 0.00 C ATOM 696 NH1 ARG A 47 -0.960 -18.605 -4.054 1.00 0.00 N ATOM 697 NH2 ARG A 47 -2.650 -16.993 -4.290 1.00 0.00 N ATOM 0 H ARG A 47 3.441 -15.104 -2.339 1.00 0.00 H new ATOM 0 HA ARG A 47 1.521 -14.058 -0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.756 -15.478 -2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.911 -16.716 -1.830 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.688 -17.001 0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.503 -15.840 -0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.125 -18.417 -1.721 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.144 -18.295 -0.519 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.975 -16.267 -1.980 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.239 -19.063 -3.496 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.146 -18.921 -5.006 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.210 -16.229 -3.912 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.818 -17.327 -5.239 1.00 0.00 H new ATOM 711 N ASP A 48 2.556 -15.122 1.635 1.00 0.00 N ATOM 712 CA ASP A 48 3.137 -15.758 2.776 1.00 0.00 C ATOM 713 C ASP A 48 2.548 -17.107 3.011 1.00 0.00 C ATOM 714 O ASP A 48 1.439 -17.260 3.522 1.00 0.00 O ATOM 715 CB ASP A 48 2.965 -14.950 4.073 1.00 0.00 C ATOM 716 CG ASP A 48 3.929 -13.775 4.144 1.00 0.00 C ATOM 717 OD1 ASP A 48 5.134 -13.971 3.830 1.00 0.00 O ATOM 718 OD2 ASP A 48 3.523 -12.688 4.634 1.00 0.00 O ATOM 0 H ASP A 48 1.883 -14.389 1.860 1.00 0.00 H new ATOM 0 HA ASP A 48 4.198 -15.834 2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.941 -14.583 4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.125 -15.603 4.931 1.00 0.00 H new ATOM 723 N LEU A 49 3.293 -18.178 2.683 1.00 0.00 N ATOM 724 CA LEU A 49 2.808 -19.519 2.806 1.00 0.00 C ATOM 725 C LEU A 49 3.033 -20.079 4.169 1.00 0.00 C ATOM 726 O LEU A 49 2.679 -21.214 4.481 1.00 0.00 O ATOM 727 CB LEU A 49 3.459 -20.392 1.721 1.00 0.00 C ATOM 728 CG LEU A 49 2.621 -21.606 1.284 1.00 0.00 C ATOM 729 CD1 LEU A 49 1.353 -21.191 0.519 1.00 0.00 C ATOM 730 CD2 LEU A 49 3.465 -22.551 0.412 1.00 0.00 C ATOM 0 H LEU A 49 4.247 -18.113 2.327 1.00 0.00 H new ATOM 0 HA LEU A 49 1.728 -19.511 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.659 -19.772 0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.422 -20.746 2.088 1.00 0.00 H new ATOM 0 HG LEU A 49 2.308 -22.123 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.794 -22.081 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.732 -20.563 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.633 -20.634 -0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.859 -23.405 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.808 -22.018 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.326 -22.900 0.982 1.00 0.00 H new ATOM 742 N LYS A 50 3.619 -19.279 5.078 1.00 0.00 N ATOM 743 CA LYS A 50 4.009 -19.679 6.394 1.00 0.00 C ATOM 744 C LYS A 50 2.875 -20.045 7.289 1.00 0.00 C ATOM 745 O LYS A 50 2.991 -20.946 8.118 1.00 0.00 O ATOM 746 CB LYS A 50 4.859 -18.621 7.118 1.00 0.00 C ATOM 747 CG LYS A 50 6.137 -18.193 6.393 1.00 0.00 C ATOM 748 CD LYS A 50 5.943 -16.945 5.530 1.00 0.00 C ATOM 749 CE LYS A 50 7.209 -16.116 5.306 1.00 0.00 C ATOM 750 NZ LYS A 50 8.203 -16.821 4.466 1.00 0.00 N ATOM 0 H LYS A 50 3.832 -18.301 4.883 1.00 0.00 H new ATOM 0 HA LYS A 50 4.605 -20.573 6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.243 -17.737 7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.132 -19.009 8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.919 -18.002 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.484 -19.013 5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.548 -17.249 4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.189 -16.311 5.997 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.942 -15.171 4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.657 -15.875 6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.042 -16.220 4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.479 -17.711 4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.787 -17.029 3.536 1.00 0.00 H new ATOM 764 N TRP A 51 1.735 -19.341 7.172 1.00 0.00 N ATOM 765 CA TRP A 51 0.555 -19.598 7.937 1.00 0.00 C ATOM 766 C TRP A 51 -0.395 -20.534 7.274 1.00 0.00 C ATOM 767 O TRP A 51 -1.237 -21.143 7.931 1.00 0.00 O ATOM 768 CB TRP A 51 -0.154 -18.293 8.338 1.00 0.00 C ATOM 769 CG TRP A 51 -0.438 -17.271 7.263 1.00 0.00 C ATOM 770 CD1 TRP A 51 0.318 -16.194 6.902 1.00 0.00 C ATOM 771 CD2 TRP A 51 -1.657 -17.184 6.502 1.00 0.00 C ATOM 772 NE1 TRP A 51 -0.338 -15.453 5.954 1.00 0.00 N ATOM 773 CE2 TRP A 51 -1.553 -16.042 5.698 1.00 0.00 C ATOM 774 CE3 TRP A 51 -2.784 -17.960 6.478 1.00 0.00 C ATOM 775 CZ2 TRP A 51 -2.575 -15.677 4.865 1.00 0.00 C ATOM 776 CZ3 TRP A 51 -3.804 -17.583 5.637 1.00 0.00 C ATOM 777 CH2 TRP A 51 -3.703 -16.463 4.846 1.00 0.00 C ATOM 0 H TRP A 51 1.631 -18.564 6.520 1.00 0.00 H new ATOM 0 HA TRP A 51 0.898 -20.100 8.841 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -1.104 -18.560 8.802 1.00 0.00 H new ATOM 0 HB3 TRP A 51 0.450 -17.809 9.105 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.292 -15.959 7.305 1.00 0.00 H new ATOM 0 HE1 TRP A 51 0.017 -14.605 5.512 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -2.869 -18.839 7.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -2.498 -14.799 4.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -4.704 -18.179 5.597 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.525 -16.196 4.198 1.00 0.00 H new ATOM 788 N TRP A 52 -0.278 -20.708 5.946 1.00 0.00 N ATOM 789 CA TRP A 52 -0.986 -21.683 5.177 1.00 0.00 C ATOM 790 C TRP A 52 -0.568 -23.075 5.506 1.00 0.00 C ATOM 791 O TRP A 52 -1.396 -23.949 5.756 1.00 0.00 O ATOM 792 CB TRP A 52 -0.799 -21.489 3.663 1.00 0.00 C ATOM 793 CG TRP A 52 -1.523 -20.324 3.033 1.00 0.00 C ATOM 794 CD1 TRP A 52 -1.328 -18.985 3.216 1.00 0.00 C ATOM 795 CD2 TRP A 52 -2.537 -20.446 2.017 1.00 0.00 C ATOM 796 NE1 TRP A 52 -2.135 -18.268 2.374 1.00 0.00 N ATOM 797 CE2 TRP A 52 -2.892 -19.147 1.634 1.00 0.00 C ATOM 798 CE3 TRP A 52 -3.129 -21.533 1.437 1.00 0.00 C ATOM 799 CZ2 TRP A 52 -3.842 -18.935 0.673 1.00 0.00 C ATOM 800 CZ3 TRP A 52 -4.087 -21.308 0.475 1.00 0.00 C ATOM 801 CH2 TRP A 52 -4.436 -20.033 0.098 1.00 0.00 C ATOM 0 H TRP A 52 0.346 -20.136 5.377 1.00 0.00 H new ATOM 0 HA TRP A 52 -2.033 -21.536 5.441 1.00 0.00 H new ATOM 0 HB2 TRP A 52 0.267 -21.375 3.464 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.121 -22.401 3.161 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.636 -18.553 3.924 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -2.169 -17.251 2.306 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -2.854 -22.537 1.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -4.117 -17.934 0.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -4.575 -22.150 0.007 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -5.190 -19.892 -0.663 1.00 0.00 H new ATOM 812 N GLU A 53 0.752 -23.334 5.523 1.00 0.00 N ATOM 813 CA GLU A 53 1.320 -24.587 5.910 1.00 0.00 C ATOM 814 C GLU A 53 1.676 -24.587 7.358 1.00 0.00 C ATOM 815 O GLU A 53 2.842 -24.652 7.747 1.00 0.00 O ATOM 816 CB GLU A 53 2.553 -24.971 5.074 1.00 0.00 C ATOM 817 CG GLU A 53 2.244 -25.219 3.596 1.00 0.00 C ATOM 818 CD GLU A 53 3.275 -26.133 2.948 1.00 0.00 C ATOM 819 OE1 GLU A 53 3.426 -27.293 3.416 1.00 0.00 O ATOM 820 OE2 GLU A 53 3.923 -25.734 1.944 1.00 0.00 O ATOM 0 H GLU A 53 1.452 -22.641 5.256 1.00 0.00 H new ATOM 0 HA GLU A 53 0.551 -25.337 5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.295 -24.176 5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.002 -25.869 5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.253 -25.664 3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.218 -24.267 3.066 1.00 0.00 H new ATOM 827 N LEU A 54 0.645 -24.530 8.219 1.00 0.00 N ATOM 828 CA LEU A 54 0.748 -24.653 9.640 1.00 0.00 C ATOM 829 C LEU A 54 -0.430 -25.503 10.091 1.00 0.00 C ATOM 830 O LEU A 54 -0.233 -26.482 10.861 1.00 0.00 O ATOM 831 CB LEU A 54 0.748 -23.250 10.267 1.00 0.00 C ATOM 832 CG LEU A 54 1.120 -23.114 11.754 1.00 0.00 C ATOM 833 CD1 LEU A 54 0.026 -23.592 12.723 1.00 0.00 C ATOM 834 CD2 LEU A 54 2.474 -23.767 12.080 1.00 0.00 C ATOM 835 OXT LEU A 54 -1.585 -25.234 9.666 1.00 0.00 O ATOM 0 H LEU A 54 -0.315 -24.390 7.905 1.00 0.00 H new ATOM 0 HA LEU A 54 1.673 -25.134 9.956 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.438 -22.630 9.694 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.247 -22.826 10.134 1.00 0.00 H new ATOM 0 HG LEU A 54 1.215 -22.040 11.916 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.368 -23.462 13.750 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.880 -23.007 12.565 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.186 -24.646 12.542 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.691 -23.644 13.141 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.433 -24.829 11.839 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.258 -23.291 11.492 1.00 0.00 H new TER 847 LEU A 54