USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 489 hydrogens (2 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 24 MET CE :methyl -117:sc=-0.000784 (180deg=-1.58) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 13 THR OG1 : rot 180:sc= -2.45 USER MOD Single : A 1 LEU N :NH3+ -125:sc= -0.321 (180deg=-2.07!) USER MOD Single : A 4 ASN : amide:sc= -0.734 K(o=-0.73,f=-5.8!) USER MOD Single : A 5 LYS NZ :NH3+ -168:sc= -0.213 (180deg=-0.434) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= 0.797 (180deg=0.35) USER MOD Single : A 19 ASN : amide:sc= -2.69! C(o=-2.7!,f=-6.5!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.101 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -5.77! C(o=-5.8!,f=-8.4!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0879 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.093) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.52! USER MOD Single : A 60 ASN : amide:sc= -8.08! C(o=-8.1!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.883 11.909 -1.350 1.00 0.00 N ATOM 2 CA LEU A 1 6.477 10.821 -0.478 1.00 0.00 C ATOM 3 C LEU A 1 7.004 9.499 -1.039 1.00 0.00 C ATOM 4 O LEU A 1 6.641 9.101 -2.145 1.00 0.00 O ATOM 5 CB LEU A 1 4.962 10.838 -0.269 1.00 0.00 C ATOM 6 CG LEU A 1 4.449 11.750 0.849 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.661 13.222 0.495 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.987 11.443 1.179 1.00 0.00 C ATOM 0 H1 LEU A 1 7.395 12.625 -0.796 1.00 0.00 H new ATOM 0 H2 LEU A 1 7.504 11.541 -2.098 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.041 12.341 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 1 6.914 10.945 0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.490 11.141 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.632 9.820 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 1 5.030 11.549 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.288 13.848 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.724 13.412 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.122 13.457 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.647 12.104 1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.373 11.599 0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.897 10.407 1.505 1.00 0.00 H new ATOM 20 N LYS A 2 7.852 8.854 -0.251 1.00 0.00 N ATOM 21 CA LYS A 2 8.434 7.586 -0.657 1.00 0.00 C ATOM 22 C LYS A 2 7.967 6.487 0.301 1.00 0.00 C ATOM 23 O LYS A 2 7.819 6.724 1.499 1.00 0.00 O ATOM 24 CB LYS A 2 9.956 7.703 -0.762 1.00 0.00 C ATOM 25 CG LYS A 2 10.357 8.565 -1.960 1.00 0.00 C ATOM 26 CD LYS A 2 11.678 9.292 -1.694 1.00 0.00 C ATOM 27 CE LYS A 2 11.761 10.591 -2.500 1.00 0.00 C ATOM 28 NZ LYS A 2 12.692 10.435 -3.639 1.00 0.00 N ATOM 0 H LYS A 2 8.150 9.186 0.666 1.00 0.00 H new ATOM 0 HA LYS A 2 8.090 7.310 -1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.355 8.139 0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.395 6.710 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.454 7.939 -2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.573 9.293 -2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.768 9.513 -0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.514 8.643 -1.956 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.771 10.863 -2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.097 11.404 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.737 11.325 -4.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.640 10.197 -3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.355 9.673 -4.261 1.00 0.00 H new ATOM 42 N CYS A 3 7.747 5.308 -0.265 1.00 0.00 N ATOM 43 CA CYS A 3 7.300 4.173 0.525 1.00 0.00 C ATOM 44 C CYS A 3 8.100 2.943 0.092 1.00 0.00 C ATOM 45 O CYS A 3 8.732 2.948 -0.965 1.00 0.00 O ATOM 46 CB CYS A 3 5.793 3.949 0.389 1.00 0.00 C ATOM 47 SG CYS A 3 4.765 4.920 1.550 1.00 0.00 S ATOM 0 H CYS A 3 7.870 5.115 -1.259 1.00 0.00 H new ATOM 0 HA CYS A 3 7.479 4.369 1.582 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.494 4.193 -0.630 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.582 2.890 0.538 1.00 0.00 H new ATOM 52 N ASN A 4 8.049 1.918 0.930 1.00 0.00 N ATOM 53 CA ASN A 4 8.761 0.684 0.648 1.00 0.00 C ATOM 54 C ASN A 4 8.010 -0.099 -0.429 1.00 0.00 C ATOM 55 O ASN A 4 6.854 0.199 -0.726 1.00 0.00 O ATOM 56 CB ASN A 4 8.853 -0.197 1.896 1.00 0.00 C ATOM 57 CG ASN A 4 8.991 0.654 3.159 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.026 0.968 3.836 1.00 0.00 O ATOM 59 ND2 ASN A 4 10.242 1.010 3.438 1.00 0.00 N ATOM 0 H ASN A 4 7.525 1.917 1.805 1.00 0.00 H new ATOM 0 HA ASN A 4 9.766 0.944 0.315 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.963 -0.823 1.970 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.708 -0.868 1.810 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.439 1.580 4.261 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.005 0.713 2.829 1.00 0.00 H new ATOM 66 N LYS A 5 8.696 -1.086 -0.987 1.00 0.00 N ATOM 67 CA LYS A 5 8.107 -1.915 -2.025 1.00 0.00 C ATOM 68 C LYS A 5 7.533 -3.184 -1.394 1.00 0.00 C ATOM 69 O LYS A 5 7.248 -3.214 -0.198 1.00 0.00 O ATOM 70 CB LYS A 5 9.124 -2.185 -3.136 1.00 0.00 C ATOM 71 CG LYS A 5 9.549 -0.884 -3.819 1.00 0.00 C ATOM 72 CD LYS A 5 9.004 -0.812 -5.247 1.00 0.00 C ATOM 73 CE LYS A 5 7.523 -0.428 -5.250 1.00 0.00 C ATOM 74 NZ LYS A 5 7.368 1.044 -5.235 1.00 0.00 N ATOM 0 H LYS A 5 9.655 -1.330 -0.740 1.00 0.00 H new ATOM 0 HA LYS A 5 7.278 -1.394 -2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.999 -2.684 -2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.692 -2.862 -3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.187 -0.032 -3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.637 -0.817 -3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.574 -0.081 -5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.134 -1.776 -5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.036 -0.842 -6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.028 -0.860 -4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.377 1.287 -5.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.981 1.450 -4.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.637 1.431 -6.162 1.00 0.00 H new ATOM 88 N LEU A 6 7.381 -4.204 -2.226 1.00 0.00 N ATOM 89 CA LEU A 6 6.846 -5.475 -1.765 1.00 0.00 C ATOM 90 C LEU A 6 7.464 -5.820 -0.409 1.00 0.00 C ATOM 91 O LEU A 6 6.789 -6.363 0.465 1.00 0.00 O ATOM 92 CB LEU A 6 7.047 -6.557 -2.826 1.00 0.00 C ATOM 93 CG LEU A 6 5.922 -7.586 -2.955 1.00 0.00 C ATOM 94 CD1 LEU A 6 5.701 -8.325 -1.634 1.00 0.00 C ATOM 95 CD2 LEU A 6 4.638 -6.934 -3.469 1.00 0.00 C ATOM 0 H LEU A 6 7.619 -4.176 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 6 5.768 -5.404 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.180 -6.070 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.974 -7.087 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 6 6.223 -8.329 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.896 -9.050 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.617 -8.843 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.432 -7.609 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.855 -7.688 -3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.321 -6.156 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.821 -6.493 -4.449 1.00 0.00 H new ATOM 107 N VAL A 7 8.741 -5.491 -0.275 1.00 0.00 N ATOM 108 CA VAL A 7 9.457 -5.760 0.961 1.00 0.00 C ATOM 109 C VAL A 7 10.316 -4.547 1.321 1.00 0.00 C ATOM 110 O VAL A 7 10.829 -3.860 0.439 1.00 0.00 O ATOM 111 CB VAL A 7 10.271 -7.049 0.823 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.395 -7.101 1.860 1.00 0.00 C ATOM 113 CG2 VAL A 7 9.368 -8.280 0.932 1.00 0.00 C ATOM 0 H VAL A 7 9.298 -5.041 -1.001 1.00 0.00 H new ATOM 0 HA VAL A 7 8.758 -5.918 1.782 1.00 0.00 H new ATOM 0 HB VAL A 7 10.728 -7.054 -0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.958 -8.027 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.061 -6.250 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.968 -7.063 2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.970 -9.183 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.871 -8.282 1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.619 -8.253 0.141 1.00 0.00 H new ATOM 123 N PRO A 8 10.448 -4.321 2.620 1.00 0.00 N ATOM 124 CA PRO A 8 11.261 -3.168 3.123 1.00 0.00 C ATOM 125 C PRO A 8 12.791 -3.079 2.790 1.00 0.00 C ATOM 126 O PRO A 8 13.519 -2.298 3.401 1.00 0.00 O ATOM 127 CB PRO A 8 10.988 -3.208 4.644 1.00 0.00 C ATOM 128 CG PRO A 8 9.743 -4.079 4.820 1.00 0.00 C ATOM 129 CD PRO A 8 9.856 -5.130 3.717 1.00 0.00 C ATOM 0 HA PRO A 8 10.949 -2.268 2.592 1.00 0.00 H new ATOM 0 HB2 PRO A 8 11.838 -3.627 5.183 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.823 -2.205 5.038 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.717 -4.540 5.807 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.830 -3.492 4.718 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.495 -5.965 4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.887 -5.549 3.445 1.00 0.00 H new ATOM 137 N ILE A 9 13.204 -3.892 1.829 1.00 0.00 N ATOM 138 CA ILE A 9 14.595 -3.917 1.416 1.00 0.00 C ATOM 139 C ILE A 9 14.774 -3.028 0.183 1.00 0.00 C ATOM 140 O ILE A 9 15.897 -2.790 -0.257 1.00 0.00 O ATOM 141 CB ILE A 9 15.068 -5.358 1.208 1.00 0.00 C ATOM 142 CG1 ILE A 9 14.537 -5.923 -0.112 1.00 0.00 C ATOM 143 CG2 ILE A 9 14.689 -6.236 2.401 1.00 0.00 C ATOM 144 CD1 ILE A 9 15.687 -6.325 -1.037 1.00 0.00 C ATOM 0 H ILE A 9 12.598 -4.539 1.324 1.00 0.00 H new ATOM 0 HA ILE A 9 15.231 -3.507 2.201 1.00 0.00 H new ATOM 0 HB ILE A 9 16.156 -5.356 1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.905 -6.789 0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 9 13.912 -5.179 -0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 9 15.036 -7.255 2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 9 15.154 -5.842 3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.606 -6.238 2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 9 15.283 -6.723 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 9 16.303 -5.452 -1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 9 16.296 -7.087 -0.550 1.00 0.00 H new ATOM 156 N ALA A 10 13.649 -2.562 -0.338 1.00 0.00 N ATOM 157 CA ALA A 10 13.666 -1.704 -1.511 1.00 0.00 C ATOM 158 C ALA A 10 12.427 -0.807 -1.500 1.00 0.00 C ATOM 159 O ALA A 10 11.305 -1.294 -1.368 1.00 0.00 O ATOM 160 CB ALA A 10 13.751 -2.565 -2.773 1.00 0.00 C ATOM 0 H ALA A 10 12.719 -2.762 0.030 1.00 0.00 H new ATOM 0 HA ALA A 10 14.542 -1.056 -1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.764 -1.921 -3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.663 -3.161 -2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.887 -3.227 -2.821 1.00 0.00 H new ATOM 166 N TYR A 11 12.671 0.488 -1.639 1.00 0.00 N ATOM 167 CA TYR A 11 11.589 1.457 -1.646 1.00 0.00 C ATOM 168 C TYR A 11 11.738 2.436 -2.813 1.00 0.00 C ATOM 169 O TYR A 11 12.852 2.723 -3.248 1.00 0.00 O ATOM 170 CB TYR A 11 11.705 2.229 -0.331 1.00 0.00 C ATOM 171 CG TYR A 11 12.988 3.052 -0.202 1.00 0.00 C ATOM 172 CD1 TYR A 11 14.120 2.484 0.346 1.00 0.00 C ATOM 173 CD2 TYR A 11 13.013 4.362 -0.636 1.00 0.00 C ATOM 174 CE1 TYR A 11 15.328 3.259 0.467 1.00 0.00 C ATOM 175 CE2 TYR A 11 14.221 5.137 -0.515 1.00 0.00 C ATOM 176 CZ TYR A 11 15.319 4.547 0.031 1.00 0.00 C ATOM 177 OH TYR A 11 16.460 5.278 0.144 1.00 0.00 O ATOM 0 H TYR A 11 13.603 0.889 -1.748 1.00 0.00 H new ATOM 0 HA TYR A 11 10.627 0.957 -1.753 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.847 2.895 -0.236 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.654 1.523 0.498 1.00 0.00 H new ATOM 0 HD1 TYR A 11 14.100 1.458 0.684 1.00 0.00 H new ATOM 0 HD2 TYR A 11 12.127 4.806 -1.066 1.00 0.00 H new ATOM 0 HE1 TYR A 11 16.221 2.827 0.894 1.00 0.00 H new ATOM 0 HE2 TYR A 11 14.255 6.163 -0.850 1.00 0.00 H new ATOM 0 HH TYR A 11 16.307 6.180 -0.209 1.00 0.00 H new ATOM 187 N LYS A 12 10.599 2.921 -3.285 1.00 0.00 N ATOM 188 CA LYS A 12 10.589 3.862 -4.393 1.00 0.00 C ATOM 189 C LYS A 12 9.594 4.985 -4.093 1.00 0.00 C ATOM 190 O LYS A 12 8.935 4.975 -3.055 1.00 0.00 O ATOM 191 CB LYS A 12 10.318 3.136 -5.711 1.00 0.00 C ATOM 192 CG LYS A 12 11.437 2.143 -6.031 1.00 0.00 C ATOM 193 CD LYS A 12 11.683 2.061 -7.540 1.00 0.00 C ATOM 194 CE LYS A 12 13.106 1.586 -7.838 1.00 0.00 C ATOM 195 NZ LYS A 12 13.573 2.131 -9.132 1.00 0.00 N ATOM 0 H LYS A 12 9.677 2.680 -2.921 1.00 0.00 H new ATOM 0 HA LYS A 12 11.569 4.326 -4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.366 2.609 -5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.230 3.862 -6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.354 2.447 -5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.174 1.157 -5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.965 1.377 -7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.520 3.039 -7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.777 1.904 -7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.134 0.497 -7.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.541 1.799 -9.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.942 1.807 -9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.565 3.170 -9.094 1.00 0.00 H new ATOM 209 N THR A 13 9.517 5.927 -5.022 1.00 0.00 N ATOM 210 CA THR A 13 8.614 7.056 -4.870 1.00 0.00 C ATOM 211 C THR A 13 7.216 6.691 -5.376 1.00 0.00 C ATOM 212 O THR A 13 7.075 5.880 -6.290 1.00 0.00 O ATOM 213 CB THR A 13 9.228 8.254 -5.595 1.00 0.00 C ATOM 214 OG1 THR A 13 9.705 9.088 -4.543 1.00 0.00 O ATOM 215 CG2 THR A 13 8.178 9.111 -6.304 1.00 0.00 C ATOM 0 H THR A 13 10.065 5.932 -5.882 1.00 0.00 H new ATOM 0 HA THR A 13 8.488 7.323 -3.821 1.00 0.00 H new ATOM 0 HB THR A 13 9.960 7.902 -6.322 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.121 9.889 -4.924 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.667 9.948 -6.803 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.653 8.506 -7.043 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.465 9.491 -5.573 1.00 0.00 H new ATOM 223 N CYS A 14 6.219 7.307 -4.757 1.00 0.00 N ATOM 224 CA CYS A 14 4.838 7.058 -5.133 1.00 0.00 C ATOM 225 C CYS A 14 4.570 7.755 -6.467 1.00 0.00 C ATOM 226 O CYS A 14 4.706 8.972 -6.575 1.00 0.00 O ATOM 227 CB CYS A 14 3.865 7.514 -4.044 1.00 0.00 C ATOM 228 SG CYS A 14 3.984 6.589 -2.470 1.00 0.00 S ATOM 0 H CYS A 14 6.340 7.978 -3.998 1.00 0.00 H new ATOM 0 HA CYS A 14 4.677 5.986 -5.247 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.038 8.571 -3.842 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.848 7.425 -4.425 1.00 0.00 H new ATOM 233 N PRO A 15 4.193 6.953 -7.454 1.00 0.00 N ATOM 234 CA PRO A 15 3.896 7.494 -8.817 1.00 0.00 C ATOM 235 C PRO A 15 2.974 8.753 -8.981 1.00 0.00 C ATOM 236 O PRO A 15 2.417 9.250 -8.003 1.00 0.00 O ATOM 237 CB PRO A 15 3.338 6.253 -9.551 1.00 0.00 C ATOM 238 CG PRO A 15 2.963 5.254 -8.456 1.00 0.00 C ATOM 239 CD PRO A 15 3.998 5.489 -7.358 1.00 0.00 C ATOM 0 HA PRO A 15 4.808 7.934 -9.220 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.470 6.514 -10.156 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.082 5.831 -10.227 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.950 5.426 -8.091 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.000 4.229 -8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.633 5.186 -6.377 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.921 4.938 -7.538 1.00 0.00 H new ATOM 247 N GLU A 16 2.862 9.207 -10.220 1.00 0.00 N ATOM 248 CA GLU A 16 2.041 10.368 -10.520 1.00 0.00 C ATOM 249 C GLU A 16 0.571 10.069 -10.220 1.00 0.00 C ATOM 250 O GLU A 16 0.075 8.989 -10.539 1.00 0.00 O ATOM 251 CB GLU A 16 2.225 10.809 -11.974 1.00 0.00 C ATOM 252 CG GLU A 16 3.679 11.203 -12.248 1.00 0.00 C ATOM 253 CD GLU A 16 3.812 12.717 -12.419 1.00 0.00 C ATOM 254 OE1 GLU A 16 3.490 13.193 -13.529 1.00 0.00 O ATOM 255 OE2 GLU A 16 4.235 13.364 -11.436 1.00 0.00 O ATOM 0 H GLU A 16 3.326 8.792 -11.028 1.00 0.00 H new ATOM 0 HA GLU A 16 2.362 11.191 -9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.931 10.000 -12.643 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.569 11.653 -12.188 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.311 10.869 -11.425 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.033 10.699 -13.147 1.00 0.00 H new ATOM 262 N GLY A 17 -0.087 11.047 -9.612 1.00 0.00 N ATOM 263 CA GLY A 17 -1.490 10.902 -9.265 1.00 0.00 C ATOM 264 C GLY A 17 -1.662 10.013 -8.032 1.00 0.00 C ATOM 265 O GLY A 17 -2.783 9.770 -7.589 1.00 0.00 O ATOM 0 H GLY A 17 0.326 11.942 -9.351 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.924 11.883 -9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.034 10.472 -10.106 1.00 0.00 H new ATOM 269 N LYS A 18 -0.533 9.553 -7.512 1.00 0.00 N ATOM 270 CA LYS A 18 -0.545 8.696 -6.339 1.00 0.00 C ATOM 271 C LYS A 18 0.437 9.246 -5.302 1.00 0.00 C ATOM 272 O LYS A 18 1.650 9.106 -5.455 1.00 0.00 O ATOM 273 CB LYS A 18 -0.273 7.243 -6.733 1.00 0.00 C ATOM 274 CG LYS A 18 -1.282 6.761 -7.777 1.00 0.00 C ATOM 275 CD LYS A 18 -0.570 6.184 -9.002 1.00 0.00 C ATOM 276 CE LYS A 18 -1.572 5.822 -10.100 1.00 0.00 C ATOM 277 NZ LYS A 18 -1.208 6.485 -11.372 1.00 0.00 N ATOM 0 H LYS A 18 0.395 9.758 -7.882 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.532 8.697 -5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.738 7.153 -7.130 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.326 6.607 -5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.931 6.003 -7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.921 7.590 -8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.148 6.909 -9.385 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.005 5.298 -8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.593 4.741 -10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.575 6.124 -9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.060 6.610 -11.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.787 7.414 -11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.521 5.897 -11.886 1.00 0.00 H new ATOM 291 N ASN A 19 -0.123 9.859 -4.270 1.00 0.00 N ATOM 292 CA ASN A 19 0.689 10.430 -3.208 1.00 0.00 C ATOM 293 C ASN A 19 0.489 9.620 -1.927 1.00 0.00 C ATOM 294 O ASN A 19 1.303 9.694 -1.007 1.00 0.00 O ATOM 295 CB ASN A 19 0.280 11.877 -2.921 1.00 0.00 C ATOM 296 CG ASN A 19 0.996 12.411 -1.678 1.00 0.00 C ATOM 297 OD1 ASN A 19 2.211 12.467 -1.605 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.174 12.801 -0.708 1.00 0.00 N ATOM 0 H ASN A 19 -1.129 9.973 -4.146 1.00 0.00 H new ATOM 0 HA ASN A 19 1.730 10.405 -3.529 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.519 12.504 -3.780 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.799 11.932 -2.776 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.553 13.174 0.162 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.835 12.727 -0.834 1.00 0.00 H new ATOM 305 N LEU A 20 -0.599 8.863 -1.907 1.00 0.00 N ATOM 306 CA LEU A 20 -0.916 8.038 -0.753 1.00 0.00 C ATOM 307 C LEU A 20 -0.237 6.675 -0.904 1.00 0.00 C ATOM 308 O LEU A 20 0.195 6.310 -1.996 1.00 0.00 O ATOM 309 CB LEU A 20 -2.430 7.953 -0.556 1.00 0.00 C ATOM 310 CG LEU A 20 -3.071 9.101 0.226 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.596 9.068 0.097 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.619 9.089 1.687 1.00 0.00 C ATOM 0 H LEU A 20 -1.272 8.804 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.524 8.490 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.902 7.901 -1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.658 7.019 -0.043 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.731 10.041 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.027 9.894 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.874 9.162 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.974 8.124 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.089 9.915 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.910 8.146 2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.535 9.197 1.734 1.00 0.00 H new ATOM 324 N CYS A 21 -0.164 5.960 0.209 1.00 0.00 N ATOM 325 CA CYS A 21 0.454 4.646 0.215 1.00 0.00 C ATOM 326 C CYS A 21 -0.593 3.624 0.657 1.00 0.00 C ATOM 327 O CYS A 21 -1.397 3.897 1.548 1.00 0.00 O ATOM 328 CB CYS A 21 1.698 4.610 1.106 1.00 0.00 C ATOM 329 SG CYS A 21 3.241 5.167 0.294 1.00 0.00 S ATOM 0 H CYS A 21 -0.523 6.266 1.113 1.00 0.00 H new ATOM 0 HA CYS A 21 0.799 4.400 -0.789 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.519 5.235 1.981 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.841 3.591 1.465 1.00 0.00 H new ATOM 334 N TYR A 22 -0.553 2.466 0.014 1.00 0.00 N ATOM 335 CA TYR A 22 -1.489 1.400 0.329 1.00 0.00 C ATOM 336 C TYR A 22 -0.778 0.047 0.396 1.00 0.00 C ATOM 337 O TYR A 22 0.232 -0.162 -0.273 1.00 0.00 O ATOM 338 CB TYR A 22 -2.501 1.375 -0.818 1.00 0.00 C ATOM 339 CG TYR A 22 -2.033 0.587 -2.043 1.00 0.00 C ATOM 340 CD1 TYR A 22 -1.082 1.124 -2.887 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.562 -0.660 -2.305 1.00 0.00 C ATOM 342 CE1 TYR A 22 -0.641 0.382 -4.040 1.00 0.00 C ATOM 343 CE2 TYR A 22 -2.121 -1.402 -3.459 1.00 0.00 C ATOM 344 CZ TYR A 22 -1.182 -0.844 -4.269 1.00 0.00 C ATOM 345 OH TYR A 22 -0.767 -1.545 -5.358 1.00 0.00 O ATOM 0 H TYR A 22 0.114 2.243 -0.725 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.958 1.575 1.297 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.434 0.944 -0.456 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.719 2.400 -1.119 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.669 2.101 -2.683 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.307 -1.080 -1.645 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.103 0.791 -4.708 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.527 -2.379 -3.676 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.239 -2.403 -5.394 1.00 0.00 H new ATOM 355 N LYS A 23 -1.335 -0.837 1.211 1.00 0.00 N ATOM 356 CA LYS A 23 -0.767 -2.165 1.375 1.00 0.00 C ATOM 357 C LYS A 23 -1.890 -3.164 1.661 1.00 0.00 C ATOM 358 O LYS A 23 -2.667 -2.977 2.597 1.00 0.00 O ATOM 359 CB LYS A 23 0.331 -2.151 2.441 1.00 0.00 C ATOM 360 CG LYS A 23 -0.138 -1.419 3.700 1.00 0.00 C ATOM 361 CD LYS A 23 0.984 -1.338 4.737 1.00 0.00 C ATOM 362 CE LYS A 23 0.428 -1.460 6.157 1.00 0.00 C ATOM 363 NZ LYS A 23 1.507 -1.813 7.108 1.00 0.00 N ATOM 0 H LYS A 23 -2.173 -0.660 1.765 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.280 -2.487 0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.611 -3.174 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.222 -1.665 2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.470 -0.414 3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.997 -1.937 4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.709 -2.132 4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.515 -0.392 4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.034 -0.519 6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.352 -2.221 6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.112 -1.892 8.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.930 -2.722 6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.238 -1.073 7.094 1.00 0.00 H new ATOM 377 N MET A 24 -1.939 -4.202 0.840 1.00 0.00 N ATOM 378 CA MET A 24 -2.953 -5.230 0.993 1.00 0.00 C ATOM 379 C MET A 24 -2.428 -6.399 1.830 1.00 0.00 C ATOM 380 O MET A 24 -1.268 -6.786 1.702 1.00 0.00 O ATOM 381 CB MET A 24 -3.379 -5.739 -0.386 1.00 0.00 C ATOM 382 CG MET A 24 -4.114 -4.650 -1.169 1.00 0.00 C ATOM 383 SD MET A 24 -4.016 -4.986 -2.920 1.00 0.00 S ATOM 384 CE MET A 24 -5.115 -6.388 -3.029 1.00 0.00 C ATOM 0 H MET A 24 -1.292 -4.353 0.066 1.00 0.00 H new ATOM 0 HA MET A 24 -3.809 -4.794 1.509 1.00 0.00 H new ATOM 0 HB2 MET A 24 -2.501 -6.064 -0.945 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.025 -6.609 -0.273 1.00 0.00 H new ATOM 0 HG2 MET A 24 -5.157 -4.607 -0.856 1.00 0.00 H new ATOM 0 HG3 MET A 24 -3.676 -3.676 -0.952 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.557 -7.263 -3.363 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.549 -6.587 -2.049 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.911 -6.172 -3.742 1.00 0.00 H new ATOM 394 N PHE A 25 -3.307 -6.929 2.667 1.00 0.00 N ATOM 395 CA PHE A 25 -2.947 -8.046 3.524 1.00 0.00 C ATOM 396 C PHE A 25 -4.038 -9.118 3.514 1.00 0.00 C ATOM 397 O PHE A 25 -5.223 -8.804 3.609 1.00 0.00 O ATOM 398 CB PHE A 25 -2.804 -7.492 4.942 1.00 0.00 C ATOM 399 CG PHE A 25 -1.512 -6.706 5.177 1.00 0.00 C ATOM 400 CD1 PHE A 25 -1.410 -5.421 4.742 1.00 0.00 C ATOM 401 CD2 PHE A 25 -0.466 -7.292 5.819 1.00 0.00 C ATOM 402 CE1 PHE A 25 -0.212 -4.691 4.959 1.00 0.00 C ATOM 403 CE2 PHE A 25 0.732 -6.561 6.036 1.00 0.00 C ATOM 404 CZ PHE A 25 0.834 -5.276 5.601 1.00 0.00 C ATOM 0 H PHE A 25 -4.269 -6.605 2.770 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.023 -8.504 3.171 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.655 -6.845 5.155 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.847 -8.319 5.650 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.241 -4.956 4.232 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.546 -8.312 6.163 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.131 -3.671 4.614 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.563 -7.025 6.547 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.746 -4.721 5.766 1.00 0.00 H new ATOM 414 N MET A 26 -3.598 -10.363 3.401 1.00 0.00 N ATOM 415 CA MET A 26 -4.522 -11.484 3.378 1.00 0.00 C ATOM 416 C MET A 26 -5.076 -11.766 4.776 1.00 0.00 C ATOM 417 O MET A 26 -4.471 -11.384 5.777 1.00 0.00 O ATOM 418 CB MET A 26 -3.803 -12.728 2.853 1.00 0.00 C ATOM 419 CG MET A 26 -3.184 -12.465 1.479 1.00 0.00 C ATOM 420 SD MET A 26 -2.923 -14.008 0.620 1.00 0.00 S ATOM 421 CE MET A 26 -4.451 -14.114 -0.298 1.00 0.00 C ATOM 0 H MET A 26 -2.614 -10.620 3.324 1.00 0.00 H new ATOM 0 HA MET A 26 -5.355 -11.231 2.722 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.025 -13.026 3.555 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.507 -13.558 2.786 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.839 -11.820 0.894 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.237 -11.938 1.593 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.455 -15.027 -0.894 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.292 -14.130 0.396 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.540 -13.250 -0.957 1.00 0.00 H new ATOM 431 N MET A 27 -6.221 -12.433 4.801 1.00 0.00 N ATOM 432 CA MET A 27 -6.863 -12.771 6.060 1.00 0.00 C ATOM 433 C MET A 27 -5.984 -13.711 6.889 1.00 0.00 C ATOM 434 O MET A 27 -5.958 -13.623 8.115 1.00 0.00 O ATOM 435 CB MET A 27 -8.209 -13.441 5.783 1.00 0.00 C ATOM 436 CG MET A 27 -9.318 -12.399 5.623 1.00 0.00 C ATOM 437 SD MET A 27 -10.013 -11.998 7.217 1.00 0.00 S ATOM 438 CE MET A 27 -10.137 -10.224 7.064 1.00 0.00 C ATOM 0 H MET A 27 -6.720 -12.748 3.969 1.00 0.00 H new ATOM 0 HA MET A 27 -7.015 -11.853 6.627 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.139 -14.045 4.878 1.00 0.00 H new ATOM 0 HB3 MET A 27 -8.457 -14.119 6.600 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.918 -11.500 5.155 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.097 -12.783 4.964 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.556 -9.808 7.980 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.146 -9.803 6.895 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.785 -9.976 6.223 1.00 0.00 H new ATOM 448 N SER A 28 -5.287 -14.590 6.184 1.00 0.00 N ATOM 449 CA SER A 28 -4.410 -15.547 6.839 1.00 0.00 C ATOM 450 C SER A 28 -3.274 -14.812 7.553 1.00 0.00 C ATOM 451 O SER A 28 -3.449 -14.328 8.671 1.00 0.00 O ATOM 452 CB SER A 28 -3.842 -16.552 5.835 1.00 0.00 C ATOM 453 OG SER A 28 -2.848 -17.388 6.420 1.00 0.00 O ATOM 0 H SER A 28 -5.311 -14.660 5.167 1.00 0.00 H new ATOM 0 HA SER A 28 -4.996 -16.100 7.573 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.650 -17.170 5.444 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.412 -16.016 4.989 1.00 0.00 H new ATOM 0 HG SER A 28 -2.512 -18.016 5.747 1.00 0.00 H new ATOM 459 N ASP A 29 -2.135 -14.751 6.879 1.00 0.00 N ATOM 460 CA ASP A 29 -0.972 -14.082 7.436 1.00 0.00 C ATOM 461 C ASP A 29 -1.161 -12.568 7.334 1.00 0.00 C ATOM 462 O ASP A 29 -0.611 -11.928 6.440 1.00 0.00 O ATOM 463 CB ASP A 29 0.297 -14.452 6.663 1.00 0.00 C ATOM 464 CG ASP A 29 1.597 -14.335 7.462 1.00 0.00 C ATOM 465 OD1 ASP A 29 1.572 -13.617 8.486 1.00 0.00 O ATOM 466 OD2 ASP A 29 2.587 -14.965 7.030 1.00 0.00 O ATOM 0 H ASP A 29 -1.993 -15.154 5.953 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.868 -14.395 8.475 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.200 -15.476 6.303 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.369 -13.811 5.784 1.00 0.00 H new ATOM 471 N LEU A 30 -1.942 -12.039 8.265 1.00 0.00 N ATOM 472 CA LEU A 30 -2.212 -10.611 8.293 1.00 0.00 C ATOM 473 C LEU A 30 -0.952 -9.867 8.739 1.00 0.00 C ATOM 474 O LEU A 30 -0.897 -8.639 8.677 1.00 0.00 O ATOM 475 CB LEU A 30 -3.440 -10.314 9.155 1.00 0.00 C ATOM 476 CG LEU A 30 -4.779 -10.816 8.612 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.662 -11.353 9.740 1.00 0.00 C ATOM 478 CD2 LEU A 30 -5.485 -9.727 7.801 1.00 0.00 C ATOM 0 H LEU A 30 -2.396 -12.574 9.005 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.459 -10.250 7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.282 -10.753 10.140 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.509 -9.235 9.295 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.582 -11.646 7.934 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.608 -11.703 9.326 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.155 -12.180 10.237 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.854 -10.559 10.462 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.434 -10.110 7.427 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.669 -8.861 8.437 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.856 -9.433 6.961 1.00 0.00 H new ATOM 490 N THR A 31 0.030 -10.641 9.178 1.00 0.00 N ATOM 491 CA THR A 31 1.286 -10.070 9.634 1.00 0.00 C ATOM 492 C THR A 31 2.236 -9.859 8.454 1.00 0.00 C ATOM 493 O THR A 31 3.124 -9.010 8.512 1.00 0.00 O ATOM 494 CB THR A 31 1.856 -10.989 10.717 1.00 0.00 C ATOM 495 OG1 THR A 31 1.825 -10.194 11.899 1.00 0.00 O ATOM 496 CG2 THR A 31 3.343 -11.287 10.509 1.00 0.00 C ATOM 0 H THR A 31 -0.019 -11.659 9.228 1.00 0.00 H new ATOM 0 HA THR A 31 1.137 -9.082 10.070 1.00 0.00 H new ATOM 0 HB THR A 31 1.296 -11.924 10.731 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.176 -10.714 12.652 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.697 -11.943 11.304 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.485 -11.776 9.545 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.907 -10.355 10.529 1.00 0.00 H new ATOM 504 N ILE A 32 2.016 -10.646 7.411 1.00 0.00 N ATOM 505 CA ILE A 32 2.841 -10.555 6.218 1.00 0.00 C ATOM 506 C ILE A 32 1.990 -10.054 5.050 1.00 0.00 C ATOM 507 O ILE A 32 0.994 -10.679 4.690 1.00 0.00 O ATOM 508 CB ILE A 32 3.535 -11.891 5.944 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.833 -12.010 6.746 1.00 0.00 C ATOM 510 CG2 ILE A 32 3.767 -12.091 4.445 1.00 0.00 C ATOM 511 CD1 ILE A 32 5.277 -13.470 6.859 1.00 0.00 C ATOM 0 H ILE A 32 1.279 -11.349 7.367 1.00 0.00 H new ATOM 0 HA ILE A 32 3.641 -9.829 6.363 1.00 0.00 H new ATOM 0 HB ILE A 32 2.876 -12.693 6.278 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.617 -11.424 6.265 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.688 -11.592 7.742 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.262 -13.048 4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.810 -12.081 3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.395 -11.286 4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.202 -13.526 7.434 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.502 -14.048 7.362 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.444 -13.878 5.862 1.00 0.00 H new ATOM 523 N PRO A 33 2.414 -8.929 4.491 1.00 0.00 N ATOM 524 CA PRO A 33 1.680 -8.319 3.337 1.00 0.00 C ATOM 525 C PRO A 33 1.567 -9.092 1.978 1.00 0.00 C ATOM 526 O PRO A 33 2.329 -10.024 1.725 1.00 0.00 O ATOM 527 CB PRO A 33 2.385 -6.951 3.183 1.00 0.00 C ATOM 528 CG PRO A 33 3.779 -7.129 3.790 1.00 0.00 C ATOM 529 CD PRO A 33 3.575 -8.147 4.911 1.00 0.00 C ATOM 0 HA PRO A 33 0.617 -8.300 3.575 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.449 -6.660 2.134 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.832 -6.166 3.698 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.492 -7.490 3.049 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.169 -6.187 4.175 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.454 -8.779 5.038 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.396 -7.654 5.867 1.00 0.00 H new ATOM 537 N VAL A 34 0.612 -8.663 1.167 1.00 0.00 N ATOM 538 CA VAL A 34 0.391 -9.286 -0.127 1.00 0.00 C ATOM 539 C VAL A 34 0.729 -8.287 -1.234 1.00 0.00 C ATOM 540 O VAL A 34 1.256 -8.667 -2.279 1.00 0.00 O ATOM 541 CB VAL A 34 -1.041 -9.816 -0.215 1.00 0.00 C ATOM 542 CG1 VAL A 34 -2.054 -8.711 0.090 1.00 0.00 C ATOM 543 CG2 VAL A 34 -1.311 -10.444 -1.584 1.00 0.00 C ATOM 0 H VAL A 34 -0.019 -7.890 1.381 1.00 0.00 H new ATOM 0 HA VAL A 34 1.049 -10.146 -0.254 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.156 -10.595 0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.064 -9.114 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.884 -8.329 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.937 -7.901 -0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.336 -10.813 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.168 -9.695 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.622 -11.273 -1.747 1.00 0.00 H new ATOM 553 N LYS A 35 0.410 -7.028 -0.968 1.00 0.00 N ATOM 554 CA LYS A 35 0.673 -5.971 -1.930 1.00 0.00 C ATOM 555 C LYS A 35 1.212 -4.742 -1.195 1.00 0.00 C ATOM 556 O LYS A 35 0.833 -4.480 -0.056 1.00 0.00 O ATOM 557 CB LYS A 35 -0.575 -5.688 -2.769 1.00 0.00 C ATOM 558 CG LYS A 35 -1.225 -6.989 -3.242 1.00 0.00 C ATOM 559 CD LYS A 35 -0.492 -7.557 -4.459 1.00 0.00 C ATOM 560 CE LYS A 35 -1.255 -8.743 -5.054 1.00 0.00 C ATOM 561 NZ LYS A 35 -2.221 -8.278 -6.074 1.00 0.00 N ATOM 0 H LYS A 35 -0.028 -6.717 -0.101 1.00 0.00 H new ATOM 0 HA LYS A 35 1.441 -6.282 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.290 -5.113 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.307 -5.077 -3.631 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.215 -7.720 -2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.270 -6.807 -3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.376 -6.779 -5.214 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.510 -7.873 -4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.553 -9.446 -5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.781 -9.278 -4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.730 -9.095 -6.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.901 -7.624 -5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.712 -7.787 -6.836 1.00 0.00 H new ATOM 575 N ARG A 36 2.090 -4.022 -1.879 1.00 0.00 N ATOM 576 CA ARG A 36 2.685 -2.826 -1.305 1.00 0.00 C ATOM 577 C ARG A 36 3.055 -1.836 -2.411 1.00 0.00 C ATOM 578 O ARG A 36 3.962 -2.093 -3.203 1.00 0.00 O ATOM 579 CB ARG A 36 3.938 -3.170 -0.496 1.00 0.00 C ATOM 580 CG ARG A 36 3.575 -3.560 0.937 1.00 0.00 C ATOM 581 CD ARG A 36 4.809 -3.541 1.840 1.00 0.00 C ATOM 582 NE ARG A 36 4.416 -3.223 3.231 1.00 0.00 N ATOM 583 CZ ARG A 36 5.177 -3.475 4.305 1.00 0.00 C ATOM 584 NH1 ARG A 36 6.377 -4.052 4.154 1.00 0.00 N ATOM 585 NH2 ARG A 36 4.738 -3.151 5.528 1.00 0.00 N ATOM 0 H ARG A 36 2.403 -4.243 -2.824 1.00 0.00 H new ATOM 0 HA ARG A 36 1.949 -2.374 -0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.471 -3.991 -0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.614 -2.315 -0.484 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.825 -2.872 1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.129 -4.555 0.945 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.308 -4.509 1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.523 -2.802 1.478 1.00 0.00 H new ATOM 0 HE ARG A 36 3.508 -2.784 3.382 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.711 -4.299 3.222 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.957 -4.244 4.971 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.824 -2.712 5.642 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.317 -3.343 6.345 1.00 0.00 H new ATOM 599 N GLY A 37 2.336 -0.723 -2.429 1.00 0.00 N ATOM 600 CA GLY A 37 2.578 0.308 -3.424 1.00 0.00 C ATOM 601 C GLY A 37 1.981 1.646 -2.983 1.00 0.00 C ATOM 602 O GLY A 37 1.902 1.932 -1.789 1.00 0.00 O ATOM 0 H GLY A 37 1.586 -0.513 -1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.650 0.419 -3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.143 0.008 -4.377 1.00 0.00 H new ATOM 606 N CYS A 38 1.575 2.430 -3.971 1.00 0.00 N ATOM 607 CA CYS A 38 0.988 3.731 -3.700 1.00 0.00 C ATOM 608 C CYS A 38 -0.330 3.833 -4.471 1.00 0.00 C ATOM 609 O CYS A 38 -0.556 3.087 -5.423 1.00 0.00 O ATOM 610 CB CYS A 38 1.946 4.871 -4.056 1.00 0.00 C ATOM 611 SG CYS A 38 3.578 4.785 -3.234 1.00 0.00 S ATOM 0 H CYS A 38 1.641 2.189 -4.960 1.00 0.00 H new ATOM 0 HA CYS A 38 0.793 3.829 -2.632 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.098 4.876 -5.135 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.474 5.818 -3.797 1.00 0.00 H new ATOM 616 N ILE A 39 -1.167 4.761 -4.031 1.00 0.00 N ATOM 617 CA ILE A 39 -2.456 4.970 -4.666 1.00 0.00 C ATOM 618 C ILE A 39 -2.869 6.434 -4.503 1.00 0.00 C ATOM 619 O ILE A 39 -2.139 7.227 -3.912 1.00 0.00 O ATOM 620 CB ILE A 39 -3.486 3.976 -4.127 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.536 3.643 -5.190 1.00 0.00 C ATOM 622 CG2 ILE A 39 -4.123 4.493 -2.836 1.00 0.00 C ATOM 623 CD1 ILE A 39 -4.574 2.139 -5.469 1.00 0.00 C ATOM 0 H ILE A 39 -0.977 5.377 -3.241 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.390 4.775 -5.736 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.969 3.048 -3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.517 3.980 -4.855 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.311 4.182 -6.110 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.851 3.768 -2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.350 4.638 -2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.622 5.442 -3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.328 1.929 -6.228 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.598 1.810 -5.826 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.823 1.605 -4.552 1.00 0.00 H new ATOM 635 N ASP A 40 -4.040 6.748 -5.038 1.00 0.00 N ATOM 636 CA ASP A 40 -4.560 8.103 -4.959 1.00 0.00 C ATOM 637 C ASP A 40 -5.604 8.179 -3.842 1.00 0.00 C ATOM 638 O ASP A 40 -5.583 9.103 -3.031 1.00 0.00 O ATOM 639 CB ASP A 40 -5.239 8.509 -6.269 1.00 0.00 C ATOM 640 CG ASP A 40 -5.551 10.001 -6.399 1.00 0.00 C ATOM 641 OD1 ASP A 40 -5.196 10.740 -5.455 1.00 0.00 O ATOM 642 OD2 ASP A 40 -6.137 10.371 -7.439 1.00 0.00 O ATOM 0 H ASP A 40 -4.643 6.087 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.724 8.775 -4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.598 8.213 -7.100 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.169 7.949 -6.368 1.00 0.00 H new ATOM 647 N VAL A 41 -6.492 7.196 -3.837 1.00 0.00 N ATOM 648 CA VAL A 41 -7.542 7.141 -2.834 1.00 0.00 C ATOM 649 C VAL A 41 -7.476 5.796 -2.108 1.00 0.00 C ATOM 650 O VAL A 41 -6.916 4.831 -2.627 1.00 0.00 O ATOM 651 CB VAL A 41 -8.901 7.404 -3.483 1.00 0.00 C ATOM 652 CG1 VAL A 41 -10.000 6.581 -2.809 1.00 0.00 C ATOM 653 CG2 VAL A 41 -9.240 8.896 -3.461 1.00 0.00 C ATOM 0 H VAL A 41 -6.506 6.431 -4.512 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.398 7.922 -2.087 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.840 7.090 -4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.956 6.787 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.769 5.520 -2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.060 6.848 -1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.212 9.055 -3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.272 9.247 -2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.478 9.450 -4.009 1.00 0.00 H new ATOM 663 N CYS A 42 -8.058 5.773 -0.917 1.00 0.00 N ATOM 664 CA CYS A 42 -8.072 4.563 -0.114 1.00 0.00 C ATOM 665 C CYS A 42 -9.031 3.564 -0.767 1.00 0.00 C ATOM 666 O CYS A 42 -10.242 3.777 -0.776 1.00 0.00 O ATOM 667 CB CYS A 42 -8.453 4.851 1.339 1.00 0.00 C ATOM 668 SG CYS A 42 -7.818 3.640 2.554 1.00 0.00 S ATOM 0 H CYS A 42 -8.523 6.574 -0.490 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.070 4.136 -0.080 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -8.084 5.841 1.607 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.540 4.885 1.415 1.00 0.00 H new ATOM 673 N PRO A 43 -8.452 2.497 -1.298 1.00 0.00 N ATOM 674 CA PRO A 43 -9.265 1.434 -1.971 1.00 0.00 C ATOM 675 C PRO A 43 -10.320 0.614 -1.153 1.00 0.00 C ATOM 676 O PRO A 43 -10.420 0.762 0.064 1.00 0.00 O ATOM 677 CB PRO A 43 -8.175 0.537 -2.602 1.00 0.00 C ATOM 678 CG PRO A 43 -6.890 1.365 -2.587 1.00 0.00 C ATOM 679 CD PRO A 43 -7.002 2.214 -1.323 1.00 0.00 C ATOM 0 HA PRO A 43 -9.964 1.913 -2.657 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.052 -0.386 -2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.444 0.252 -3.619 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.006 0.727 -2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.808 1.987 -3.478 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.672 1.676 -0.435 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.406 3.124 -1.384 1.00 0.00 H new ATOM 687 N LYS A 44 -11.062 -0.218 -1.871 1.00 0.00 N ATOM 688 CA LYS A 44 -12.081 -1.042 -1.245 1.00 0.00 C ATOM 689 C LYS A 44 -11.409 -2.085 -0.350 1.00 0.00 C ATOM 690 O LYS A 44 -10.182 -2.168 -0.300 1.00 0.00 O ATOM 691 CB LYS A 44 -13.008 -1.644 -2.302 1.00 0.00 C ATOM 692 CG LYS A 44 -13.551 -0.561 -3.236 1.00 0.00 C ATOM 693 CD LYS A 44 -15.047 -0.754 -3.488 1.00 0.00 C ATOM 694 CE LYS A 44 -15.571 0.275 -4.493 1.00 0.00 C ATOM 695 NZ LYS A 44 -17.044 0.386 -4.401 1.00 0.00 N ATOM 0 H LYS A 44 -10.977 -0.338 -2.880 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.720 -0.435 -0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.467 -2.392 -2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.837 -2.157 -1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.376 0.422 -2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.012 -0.589 -4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.229 -1.761 -3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.593 -0.661 -2.549 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.115 1.246 -4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.285 -0.016 -5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.383 1.088 -5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.475 -0.538 -4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.310 0.686 -3.441 1.00 0.00 H new ATOM 709 N ASN A 45 -12.241 -2.857 0.334 1.00 0.00 N ATOM 710 CA ASN A 45 -11.743 -3.891 1.224 1.00 0.00 C ATOM 711 C ASN A 45 -12.788 -5.002 1.344 1.00 0.00 C ATOM 712 O ASN A 45 -13.985 -4.728 1.413 1.00 0.00 O ATOM 713 CB ASN A 45 -11.481 -3.334 2.624 1.00 0.00 C ATOM 714 CG ASN A 45 -10.739 -1.999 2.555 1.00 0.00 C ATOM 715 OD1 ASN A 45 -9.568 -1.893 2.880 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.482 -0.989 2.112 1.00 0.00 N ATOM 0 H ASN A 45 -13.258 -2.787 0.289 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.811 -4.273 0.808 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.427 -3.201 3.149 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.895 -4.050 3.200 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.077 -0.057 2.027 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.457 -1.147 1.857 1.00 0.00 H new ATOM 723 N SER A 46 -12.297 -6.233 1.364 1.00 0.00 N ATOM 724 CA SER A 46 -13.174 -7.386 1.475 1.00 0.00 C ATOM 725 C SER A 46 -12.863 -8.159 2.758 1.00 0.00 C ATOM 726 O SER A 46 -11.954 -7.794 3.502 1.00 0.00 O ATOM 727 CB SER A 46 -13.036 -8.301 0.257 1.00 0.00 C ATOM 728 OG SER A 46 -11.689 -8.722 0.055 1.00 0.00 O ATOM 0 H SER A 46 -11.304 -6.457 1.305 1.00 0.00 H new ATOM 0 HA SER A 46 -14.204 -7.030 1.514 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.674 -9.176 0.387 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.389 -7.778 -0.631 1.00 0.00 H new ATOM 0 HG SER A 46 -11.643 -9.306 -0.731 1.00 0.00 H new ATOM 734 N LEU A 47 -13.636 -9.213 2.978 1.00 0.00 N ATOM 735 CA LEU A 47 -13.454 -10.040 4.158 1.00 0.00 C ATOM 736 C LEU A 47 -12.359 -11.075 3.887 1.00 0.00 C ATOM 737 O LEU A 47 -12.123 -11.962 4.705 1.00 0.00 O ATOM 738 CB LEU A 47 -14.786 -10.655 4.592 1.00 0.00 C ATOM 739 CG LEU A 47 -15.849 -9.672 5.088 1.00 0.00 C ATOM 740 CD1 LEU A 47 -17.247 -10.289 5.007 1.00 0.00 C ATOM 741 CD2 LEU A 47 -15.522 -9.176 6.497 1.00 0.00 C ATOM 0 H LEU A 47 -14.389 -9.513 2.359 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.119 -9.434 5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.198 -11.211 3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -14.589 -11.377 5.385 1.00 0.00 H new ATOM 0 HG LEU A 47 -15.843 -8.802 4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -17.983 -9.570 5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.469 -10.551 3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -17.285 -11.186 5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.293 -8.479 6.825 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.484 -10.024 7.181 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.556 -8.671 6.490 1.00 0.00 H new ATOM 753 N LEU A 48 -11.719 -10.924 2.737 1.00 0.00 N ATOM 754 CA LEU A 48 -10.654 -11.833 2.349 1.00 0.00 C ATOM 755 C LEU A 48 -9.310 -11.110 2.450 1.00 0.00 C ATOM 756 O LEU A 48 -8.364 -11.631 3.039 1.00 0.00 O ATOM 757 CB LEU A 48 -10.933 -12.424 0.965 1.00 0.00 C ATOM 758 CG LEU A 48 -12.310 -13.061 0.772 1.00 0.00 C ATOM 759 CD1 LEU A 48 -12.630 -13.238 -0.714 1.00 0.00 C ATOM 760 CD2 LEU A 48 -12.416 -14.379 1.542 1.00 0.00 C ATOM 0 H LEU A 48 -11.917 -10.186 2.061 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.610 -12.683 3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.813 -11.634 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.174 -13.177 0.754 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.060 -12.385 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.615 -13.693 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.623 -12.265 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.880 -13.882 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.405 -14.812 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.656 -15.073 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.263 -14.193 2.605 1.00 0.00 H new ATOM 772 N VAL A 49 -9.267 -9.921 1.866 1.00 0.00 N ATOM 773 CA VAL A 49 -8.054 -9.122 1.883 1.00 0.00 C ATOM 774 C VAL A 49 -8.379 -7.722 2.407 1.00 0.00 C ATOM 775 O VAL A 49 -9.415 -7.153 2.068 1.00 0.00 O ATOM 776 CB VAL A 49 -7.419 -9.106 0.491 1.00 0.00 C ATOM 777 CG1 VAL A 49 -7.373 -10.515 -0.106 1.00 0.00 C ATOM 778 CG2 VAL A 49 -8.154 -8.140 -0.437 1.00 0.00 C ATOM 0 H VAL A 49 -10.053 -9.492 1.378 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.318 -9.559 2.557 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.393 -8.752 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.917 -10.476 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.783 -11.165 0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.386 -10.909 -0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.682 -8.149 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.195 -8.448 -0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.110 -7.133 -0.022 1.00 0.00 H new ATOM 788 N LYS A 50 -7.474 -7.207 3.227 1.00 0.00 N ATOM 789 CA LYS A 50 -7.651 -5.885 3.801 1.00 0.00 C ATOM 790 C LYS A 50 -6.606 -4.935 3.214 1.00 0.00 C ATOM 791 O LYS A 50 -5.476 -5.338 2.945 1.00 0.00 O ATOM 792 CB LYS A 50 -7.626 -5.957 5.329 1.00 0.00 C ATOM 793 CG LYS A 50 -8.191 -4.677 5.948 1.00 0.00 C ATOM 794 CD LYS A 50 -7.153 -3.996 6.842 1.00 0.00 C ATOM 795 CE LYS A 50 -7.234 -2.473 6.715 1.00 0.00 C ATOM 796 NZ LYS A 50 -7.356 -1.847 8.051 1.00 0.00 N ATOM 0 H LYS A 50 -6.616 -7.682 3.507 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.630 -5.484 3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.207 -6.815 5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.603 -6.110 5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.501 -3.993 5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.080 -4.913 6.532 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.315 -4.287 7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.154 -4.335 6.568 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.344 -2.096 6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.090 -2.199 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.410 -0.814 7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.218 -2.193 8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.526 -2.094 8.627 1.00 0.00 H new ATOM 810 N TYR A 51 -7.021 -3.689 3.032 1.00 0.00 N ATOM 811 CA TYR A 51 -6.135 -2.678 2.482 1.00 0.00 C ATOM 812 C TYR A 51 -5.819 -1.601 3.521 1.00 0.00 C ATOM 813 O TYR A 51 -6.726 -0.964 4.057 1.00 0.00 O ATOM 814 CB TYR A 51 -6.896 -2.039 1.318 1.00 0.00 C ATOM 815 CG TYR A 51 -7.392 -3.041 0.274 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.371 -3.956 0.606 1.00 0.00 C ATOM 817 CD2 TYR A 51 -6.861 -3.030 -1.000 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.838 -4.899 -0.377 1.00 0.00 C ATOM 819 CE2 TYR A 51 -7.328 -3.973 -1.983 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.293 -4.862 -1.623 1.00 0.00 C ATOM 821 OH TYR A 51 -8.734 -5.752 -2.551 1.00 0.00 O ATOM 0 H TYR A 51 -7.959 -3.358 3.256 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.191 -3.124 2.170 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.750 -1.490 1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.248 -1.312 0.829 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.787 -3.965 1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.095 -2.314 -1.260 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.604 -5.620 -0.131 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.921 -3.975 -2.984 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.257 -5.608 -3.395 1.00 0.00 H new ATOM 831 N VAL A 52 -4.530 -1.429 3.776 1.00 0.00 N ATOM 832 CA VAL A 52 -4.083 -0.440 4.741 1.00 0.00 C ATOM 833 C VAL A 52 -3.450 0.739 4.002 1.00 0.00 C ATOM 834 O VAL A 52 -2.423 0.586 3.344 1.00 0.00 O ATOM 835 CB VAL A 52 -3.136 -1.088 5.754 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.262 -0.424 7.127 1.00 0.00 C ATOM 837 CG2 VAL A 52 -3.382 -2.596 5.848 1.00 0.00 C ATOM 0 H VAL A 52 -3.781 -1.959 3.330 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.929 -0.051 5.308 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.115 -0.937 5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.578 -0.904 7.827 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.013 0.634 7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.285 -0.529 7.489 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.696 -3.032 6.574 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.409 -2.778 6.164 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.216 -3.053 4.873 1.00 0.00 H new ATOM 847 N CYS A 53 -4.091 1.892 4.133 1.00 0.00 N ATOM 848 CA CYS A 53 -3.605 3.098 3.485 1.00 0.00 C ATOM 849 C CYS A 53 -2.730 3.859 4.482 1.00 0.00 C ATOM 850 O CYS A 53 -2.808 3.626 5.688 1.00 0.00 O ATOM 851 CB CYS A 53 -4.753 3.960 2.959 1.00 0.00 C ATOM 852 SG CYS A 53 -6.001 3.057 1.970 1.00 0.00 S ATOM 0 H CYS A 53 -4.944 2.016 4.679 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.010 2.830 2.612 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.252 4.431 3.806 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.337 4.761 2.349 1.00 0.00 H new ATOM 857 N CYS A 54 -1.914 4.753 3.942 1.00 0.00 N ATOM 858 CA CYS A 54 -1.024 5.550 4.770 1.00 0.00 C ATOM 859 C CYS A 54 -0.564 6.760 3.954 1.00 0.00 C ATOM 860 O CYS A 54 -0.605 6.736 2.725 1.00 0.00 O ATOM 861 CB CYS A 54 0.158 4.727 5.286 1.00 0.00 C ATOM 862 SG CYS A 54 0.950 3.652 4.033 1.00 0.00 S ATOM 0 H CYS A 54 -1.851 4.943 2.942 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.558 5.892 5.657 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.909 5.408 5.687 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.184 4.106 6.114 1.00 0.00 H new ATOM 867 N ASN A 55 -0.138 7.789 4.671 1.00 0.00 N ATOM 868 CA ASN A 55 0.330 9.006 4.029 1.00 0.00 C ATOM 869 C ASN A 55 1.734 9.339 4.536 1.00 0.00 C ATOM 870 O ASN A 55 2.298 10.371 4.179 1.00 0.00 O ATOM 871 CB ASN A 55 -0.585 10.188 4.357 1.00 0.00 C ATOM 872 CG ASN A 55 -1.060 10.125 5.810 1.00 0.00 C ATOM 873 OD1 ASN A 55 -2.219 9.880 6.101 1.00 0.00 O ATOM 874 ND2 ASN A 55 -0.104 10.362 6.703 1.00 0.00 N ATOM 0 H ASN A 55 -0.107 7.805 5.690 1.00 0.00 H new ATOM 0 HA ASN A 55 0.332 8.839 2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.053 11.124 4.185 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.446 10.183 3.688 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.321 10.345 7.699 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.847 10.561 6.392 1.00 0.00 H new ATOM 881 N THR A 56 2.258 8.445 5.362 1.00 0.00 N ATOM 882 CA THR A 56 3.585 8.631 5.923 1.00 0.00 C ATOM 883 C THR A 56 4.632 7.918 5.064 1.00 0.00 C ATOM 884 O THR A 56 4.294 7.044 4.267 1.00 0.00 O ATOM 885 CB THR A 56 3.557 8.145 7.373 1.00 0.00 C ATOM 886 OG1 THR A 56 3.321 6.744 7.267 1.00 0.00 O ATOM 887 CG2 THR A 56 2.344 8.671 8.143 1.00 0.00 C ATOM 0 H THR A 56 1.787 7.589 5.656 1.00 0.00 H new ATOM 0 HA THR A 56 3.871 9.683 5.922 1.00 0.00 H new ATOM 0 HB THR A 56 4.471 8.458 7.878 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.290 6.349 8.163 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.372 8.297 9.166 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.365 9.761 8.155 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.429 8.331 7.657 1.00 0.00 H new ATOM 895 N ASP A 57 5.879 8.319 5.254 1.00 0.00 N ATOM 896 CA ASP A 57 6.978 7.731 4.507 1.00 0.00 C ATOM 897 C ASP A 57 7.281 6.339 5.065 1.00 0.00 C ATOM 898 O ASP A 57 6.954 6.042 6.213 1.00 0.00 O ATOM 899 CB ASP A 57 8.246 8.577 4.632 1.00 0.00 C ATOM 900 CG ASP A 57 8.295 9.807 3.725 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.525 10.750 4.005 1.00 0.00 O ATOM 902 OD2 ASP A 57 9.102 9.777 2.770 1.00 0.00 O ATOM 0 H ASP A 57 6.154 9.045 5.915 1.00 0.00 H new ATOM 0 HA ASP A 57 6.683 7.679 3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.346 8.903 5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.108 7.947 4.412 1.00 0.00 H new ATOM 907 N ARG A 58 7.901 5.521 4.227 1.00 0.00 N ATOM 908 CA ARG A 58 8.253 4.168 4.624 1.00 0.00 C ATOM 909 C ARG A 58 7.148 3.567 5.495 1.00 0.00 C ATOM 910 O ARG A 58 7.429 2.943 6.517 1.00 0.00 O ATOM 911 CB ARG A 58 9.572 4.146 5.397 1.00 0.00 C ATOM 912 CG ARG A 58 10.747 4.514 4.489 1.00 0.00 C ATOM 913 CD ARG A 58 12.017 3.767 4.903 1.00 0.00 C ATOM 914 NE ARG A 58 13.115 4.730 5.139 1.00 0.00 N ATOM 915 CZ ARG A 58 13.161 5.578 6.176 1.00 0.00 C ATOM 916 NH1 ARG A 58 12.170 5.588 7.078 1.00 0.00 N ATOM 917 NH2 ARG A 58 14.197 6.416 6.311 1.00 0.00 N ATOM 0 H ARG A 58 8.169 5.769 3.275 1.00 0.00 H new ATOM 0 HA ARG A 58 8.368 3.575 3.717 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.520 4.845 6.232 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.732 3.155 5.821 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.501 4.274 3.455 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.923 5.589 4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.830 3.187 5.807 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.303 3.060 4.124 1.00 0.00 H new ATOM 0 HE ARG A 58 13.885 4.750 4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.381 4.950 6.975 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.205 6.233 7.867 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.951 6.409 5.625 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.232 7.061 7.100 1.00 0.00 H new ATOM 931 N CYS A 59 5.914 3.776 5.059 1.00 0.00 N ATOM 932 CA CYS A 59 4.766 3.263 5.787 1.00 0.00 C ATOM 933 C CYS A 59 4.518 1.821 5.336 1.00 0.00 C ATOM 934 O CYS A 59 4.370 0.925 6.166 1.00 0.00 O ATOM 935 CB CYS A 59 3.531 4.144 5.589 1.00 0.00 C ATOM 936 SG CYS A 59 2.872 4.169 3.881 1.00 0.00 S ATOM 0 H CYS A 59 5.684 4.294 4.211 1.00 0.00 H new ATOM 0 HA CYS A 59 4.973 3.278 6.857 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.745 3.800 6.262 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.779 5.164 5.883 1.00 0.00 H new ATOM 941 N ASN A 60 4.480 1.644 4.024 1.00 0.00 N ATOM 942 CA ASN A 60 4.251 0.327 3.455 1.00 0.00 C ATOM 943 C ASN A 60 5.550 -0.186 2.830 1.00 0.00 C ATOM 944 O ASN A 60 6.163 0.498 2.012 1.00 0.00 O ATOM 945 CB ASN A 60 3.187 0.379 2.355 1.00 0.00 C ATOM 946 CG ASN A 60 3.705 1.130 1.127 1.00 0.00 C ATOM 947 OD1 ASN A 60 3.531 2.329 0.981 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.349 0.361 0.254 1.00 0.00 N ATOM 0 H ASN A 60 4.604 2.390 3.339 1.00 0.00 H new ATOM 0 HA ASN A 60 3.912 -0.331 4.255 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.901 -0.634 2.072 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.290 0.869 2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.732 0.768 -0.599 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.460 -0.636 0.437 1.00 0.00 H new TER 955 ASN A 60 HETATM 956 O HOH A 61 -1.002 -12.058 3.528 1.00 0.00 O