USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 482 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 LEU N :NH3+ 133:sc= 1.5 (180deg=1.05) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.288 K(o=-0.29,f=-2.7) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.108 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 21:sc= 0.419 USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= 0.236 (180deg=0.235) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 22 TYR OH : rot 84:sc= 0.00546 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= -0.0119 (180deg=-0.0119) USER MOD Single : A 24 MET CE :methyl 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 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= 0.214 X(o=0.21,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0585 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc=-0.00514 X(o=-0.0051,f=-0.018) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0717 USER MOD Single : A 60 ASN : amide:sc= -0.18 K(o=-0.18,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.442 13.117 -0.194 1.00 2.00 N ATOM 2 CA LEU A 1 -0.167 12.229 -1.217 1.00 2.00 C ATOM 3 C LEU A 1 -1.625 11.744 -0.883 1.00 2.00 C ATOM 4 O LEU A 1 -1.904 11.300 0.234 1.00 2.00 O ATOM 5 CB LEU A 1 0.756 10.996 -1.351 1.00 2.00 C ATOM 6 CG LEU A 1 0.395 10.044 -2.528 1.00 2.00 C ATOM 7 CD1 LEU A 1 1.112 10.450 -3.823 1.00 2.00 C ATOM 8 CD2 LEU A 1 0.675 8.595 -2.127 1.00 2.00 C ATOM 0 H1 LEU A 1 1.409 12.795 0.014 1.00 2.00 H new ATOM 0 H2 LEU A 1 0.472 14.092 -0.554 1.00 2.00 H new ATOM 0 H3 LEU A 1 -0.128 13.087 0.675 1.00 2.00 H new ATOM 0 HA LEU A 1 -0.257 12.804 -2.139 1.00 2.00 H new ATOM 0 HB2 LEU A 1 1.783 11.339 -1.480 1.00 2.00 H new ATOM 0 HB3 LEU A 1 0.723 10.430 -0.420 1.00 2.00 H new ATOM 0 HG LEU A 1 -0.671 10.130 -2.739 1.00 2.00 H new ATOM 0 HD11 LEU A 1 0.836 9.763 -4.623 1.00 2.00 H new ATOM 0 HD12 LEU A 1 0.820 11.463 -4.098 1.00 2.00 H new ATOM 0 HD13 LEU A 1 2.190 10.413 -3.669 1.00 2.00 H new ATOM 0 HD21 LEU A 1 0.421 7.933 -2.955 1.00 2.00 H new ATOM 0 HD22 LEU A 1 1.732 8.482 -1.884 1.00 2.00 H new ATOM 0 HD23 LEU A 1 0.073 8.336 -1.256 1.00 2.00 H new ATOM 22 N LYS A 2 -2.562 11.863 -1.831 1.00 2.00 N ATOM 23 CA LYS A 2 -3.985 11.436 -1.659 1.00 2.00 C ATOM 24 C LYS A 2 -4.093 9.910 -2.036 1.00 2.00 C ATOM 25 O LYS A 2 -3.427 9.466 -2.971 1.00 2.00 O ATOM 26 CB LYS A 2 -4.864 12.342 -2.565 1.00 2.00 C ATOM 27 CG LYS A 2 -5.236 13.717 -1.958 1.00 2.00 C ATOM 28 CD LYS A 2 -5.773 14.733 -2.991 1.00 2.00 C ATOM 29 CE LYS A 2 -4.693 15.546 -3.733 1.00 2.00 C ATOM 30 NZ LYS A 2 -4.225 16.675 -2.900 1.00 2.00 N ATOM 0 H LYS A 2 -2.368 12.259 -2.751 1.00 2.00 H new ATOM 0 HA LYS A 2 -4.333 11.546 -0.632 1.00 2.00 H new ATOM 0 HB2 LYS A 2 -4.338 12.508 -3.505 1.00 2.00 H new ATOM 0 HB3 LYS A 2 -5.783 11.807 -2.804 1.00 2.00 H new ATOM 0 HG2 LYS A 2 -5.988 13.570 -1.183 1.00 2.00 H new ATOM 0 HG3 LYS A 2 -4.356 14.139 -1.472 1.00 2.00 H new ATOM 0 HD2 LYS A 2 -6.372 14.197 -3.727 1.00 2.00 H new ATOM 0 HD3 LYS A 2 -6.441 15.427 -2.481 1.00 2.00 H new ATOM 0 HE2 LYS A 2 -3.852 14.899 -3.984 1.00 2.00 H new ATOM 0 HE3 LYS A 2 -5.096 15.923 -4.673 1.00 2.00 H new ATOM 0 HZ1 LYS A 2 -3.498 17.210 -3.417 1.00 2.00 H new ATOM 0 HZ2 LYS A 2 -5.026 17.301 -2.682 1.00 2.00 H new ATOM 0 HZ3 LYS A 2 -3.821 16.309 -2.014 1.00 2.00 H new ATOM 43 N CYS A 3 -4.880 9.076 -1.333 1.00 2.00 N ATOM 44 CA CYS A 3 -5.006 7.619 -1.661 1.00 2.00 C ATOM 45 C CYS A 3 -6.466 7.043 -1.603 1.00 2.00 C ATOM 46 O CYS A 3 -7.416 7.723 -1.202 1.00 2.00 O ATOM 47 CB CYS A 3 -4.003 6.849 -0.775 1.00 2.00 C ATOM 48 SG CYS A 3 -2.288 7.219 -1.209 1.00 2.00 S ATOM 0 H CYS A 3 -5.442 9.371 -0.535 1.00 2.00 H new ATOM 0 HA CYS A 3 -4.757 7.484 -2.714 1.00 2.00 H new ATOM 0 HB2 CYS A 3 -4.175 7.103 0.271 1.00 2.00 H new ATOM 0 HB3 CYS A 3 -4.179 5.778 -0.876 1.00 2.00 H new ATOM 53 N ASN A 4 -6.636 5.766 -2.004 1.00 2.00 N ATOM 54 CA ASN A 4 -7.952 5.079 -2.012 1.00 2.00 C ATOM 55 C ASN A 4 -8.118 3.733 -1.214 1.00 2.00 C ATOM 56 O ASN A 4 -7.733 2.679 -1.726 1.00 2.00 O ATOM 57 CB ASN A 4 -8.279 4.735 -3.513 1.00 2.00 C ATOM 58 CG ASN A 4 -8.916 5.790 -4.392 1.00 2.00 C ATOM 59 OD1 ASN A 4 -9.567 6.711 -3.936 1.00 2.00 O ATOM 60 ND2 ASN A 4 -8.842 5.652 -5.686 1.00 2.00 N ATOM 0 H ASN A 4 -5.868 5.180 -2.332 1.00 2.00 H new ATOM 0 HA ASN A 4 -8.612 5.783 -1.504 1.00 2.00 H new ATOM 0 HB2 ASN A 4 -7.347 4.430 -3.990 1.00 2.00 H new ATOM 0 HB3 ASN A 4 -8.937 3.866 -3.514 1.00 2.00 H new ATOM 0 HD21 ASN A 4 -9.325 6.310 -6.298 1.00 2.00 H new ATOM 0 HD22 ASN A 4 -8.301 4.886 -6.087 1.00 2.00 H new ATOM 67 N LYS A 5 -8.760 3.704 -0.018 1.00 2.00 N ATOM 68 CA LYS A 5 -8.953 2.435 0.767 1.00 2.00 C ATOM 69 C LYS A 5 -9.773 1.339 -0.061 1.00 2.00 C ATOM 70 O LYS A 5 -10.294 1.638 -1.141 1.00 2.00 O ATOM 71 CB LYS A 5 -9.542 2.740 2.178 1.00 2.00 C ATOM 72 CG LYS A 5 -11.064 3.031 2.279 1.00 2.00 C ATOM 73 CD LYS A 5 -11.604 3.229 3.712 1.00 2.00 C ATOM 74 CE LYS A 5 -11.645 1.955 4.574 1.00 2.00 C ATOM 75 NZ LYS A 5 -12.142 2.300 5.920 1.00 2.00 N ATOM 0 H LYS A 5 -9.153 4.532 0.429 1.00 2.00 H new ATOM 0 HA LYS A 5 -7.977 1.982 0.939 1.00 2.00 H new ATOM 0 HB2 LYS A 5 -9.320 1.891 2.825 1.00 2.00 H new ATOM 0 HB3 LYS A 5 -9.009 3.599 2.585 1.00 2.00 H new ATOM 0 HG2 LYS A 5 -11.285 3.926 1.698 1.00 2.00 H new ATOM 0 HG3 LYS A 5 -11.606 2.207 1.815 1.00 2.00 H new ATOM 0 HD2 LYS A 5 -10.986 3.972 4.217 1.00 2.00 H new ATOM 0 HD3 LYS A 5 -12.611 3.641 3.651 1.00 2.00 H new ATOM 0 HE2 LYS A 5 -12.293 1.210 4.113 1.00 2.00 H new ATOM 0 HE3 LYS A 5 -10.650 1.514 4.642 1.00 2.00 H new ATOM 0 HZ1 LYS A 5 -12.173 1.443 6.509 1.00 2.00 H new ATOM 0 HZ2 LYS A 5 -11.506 2.998 6.357 1.00 2.00 H new ATOM 0 HZ3 LYS A 5 -13.098 2.702 5.844 1.00 2.00 H new ATOM 88 N LEU A 6 -9.881 0.079 0.401 1.00 2.00 N ATOM 89 CA LEU A 6 -10.626 -1.030 -0.304 1.00 2.00 C ATOM 90 C LEU A 6 -11.895 -0.755 -1.196 1.00 2.00 C ATOM 91 O LEU A 6 -11.987 -1.217 -2.337 1.00 2.00 O ATOM 92 CB LEU A 6 -11.019 -2.110 0.768 1.00 2.00 C ATOM 93 CG LEU A 6 -10.040 -3.270 1.031 1.00 2.00 C ATOM 94 CD1 LEU A 6 -9.937 -4.203 -0.186 1.00 2.00 C ATOM 95 CD2 LEU A 6 -8.678 -2.749 1.492 1.00 2.00 C ATOM 0 H LEU A 6 -9.457 -0.220 1.279 1.00 2.00 H new ATOM 0 HA LEU A 6 -9.896 -1.318 -1.060 1.00 2.00 H new ATOM 0 HB2 LEU A 6 -11.185 -1.594 1.714 1.00 2.00 H new ATOM 0 HB3 LEU A 6 -11.974 -2.542 0.469 1.00 2.00 H new ATOM 0 HG LEU A 6 -10.438 -3.871 1.848 1.00 2.00 H new ATOM 0 HD11 LEU A 6 -9.238 -5.011 0.033 1.00 2.00 H new ATOM 0 HD12 LEU A 6 -10.919 -4.622 -0.407 1.00 2.00 H new ATOM 0 HD13 LEU A 6 -9.581 -3.639 -1.048 1.00 2.00 H new ATOM 0 HD21 LEU A 6 -8.008 -3.590 1.670 1.00 2.00 H new ATOM 0 HD22 LEU A 6 -8.255 -2.105 0.721 1.00 2.00 H new ATOM 0 HD23 LEU A 6 -8.799 -2.180 2.414 1.00 2.00 H new ATOM 107 N ILE A 7 -12.854 -0.006 -0.653 1.00 2.00 N ATOM 108 CA ILE A 7 -14.129 0.363 -1.330 1.00 2.00 C ATOM 109 C ILE A 7 -13.984 1.378 -2.537 1.00 2.00 C ATOM 110 O ILE A 7 -13.086 2.222 -2.473 1.00 2.00 O ATOM 111 CB ILE A 7 -15.069 0.917 -0.176 1.00 2.00 C ATOM 112 CG1 ILE A 7 -15.377 -0.108 0.970 1.00 2.00 C ATOM 113 CG2 ILE A 7 -16.440 1.477 -0.645 1.00 2.00 C ATOM 114 CD1 ILE A 7 -15.646 0.532 2.346 1.00 2.00 C ATOM 0 H ILE A 7 -12.779 0.377 0.289 1.00 2.00 H new ATOM 0 HA ILE A 7 -14.549 -0.513 -1.824 1.00 2.00 H new ATOM 0 HB ILE A 7 -14.451 1.732 0.202 1.00 2.00 H new ATOM 0 HG12 ILE A 7 -16.245 -0.703 0.684 1.00 2.00 H new ATOM 0 HG13 ILE A 7 -14.536 -0.795 1.061 1.00 2.00 H new ATOM 0 HG21 ILE A 7 -17.004 1.829 0.219 1.00 2.00 H new ATOM 0 HG22 ILE A 7 -16.278 2.305 -1.335 1.00 2.00 H new ATOM 0 HG23 ILE A 7 -17.001 0.690 -1.149 1.00 2.00 H new ATOM 0 HD11 ILE A 7 -15.850 -0.250 3.077 1.00 2.00 H new ATOM 0 HD12 ILE A 7 -14.772 1.103 2.659 1.00 2.00 H new ATOM 0 HD13 ILE A 7 -16.507 1.196 2.276 1.00 2.00 H new ATOM 126 N PRO A 8 -14.812 1.369 -3.637 1.00 2.00 N ATOM 127 CA PRO A 8 -14.675 2.338 -4.776 1.00 2.00 C ATOM 128 C PRO A 8 -14.612 3.868 -4.414 1.00 2.00 C ATOM 129 O PRO A 8 -13.730 4.565 -4.921 1.00 2.00 O ATOM 130 CB PRO A 8 -15.851 1.951 -5.691 1.00 2.00 C ATOM 131 CG PRO A 8 -16.056 0.459 -5.430 1.00 2.00 C ATOM 132 CD PRO A 8 -15.779 0.289 -3.936 1.00 2.00 C ATOM 0 HA PRO A 8 -13.697 2.247 -5.249 1.00 2.00 H new ATOM 0 HB2 PRO A 8 -16.747 2.524 -5.451 1.00 2.00 H new ATOM 0 HB3 PRO A 8 -15.620 2.144 -6.739 1.00 2.00 H new ATOM 0 HG2 PRO A 8 -17.069 0.147 -5.684 1.00 2.00 H new ATOM 0 HG3 PRO A 8 -15.377 -0.146 -6.031 1.00 2.00 H new ATOM 0 HD2 PRO A 8 -16.689 0.391 -3.345 1.00 2.00 H new ATOM 0 HD3 PRO A 8 -15.364 -0.694 -3.714 1.00 2.00 H new ATOM 140 N ILE A 9 -15.525 4.395 -3.561 1.00 2.00 N ATOM 141 CA ILE A 9 -15.528 5.850 -3.154 1.00 2.00 C ATOM 142 C ILE A 9 -14.205 6.267 -2.392 1.00 2.00 C ATOM 143 O ILE A 9 -13.595 7.304 -2.680 1.00 2.00 O ATOM 144 CB ILE A 9 -16.892 6.255 -2.482 1.00 2.00 C ATOM 145 CG1 ILE A 9 -17.104 7.788 -2.321 1.00 2.00 C ATOM 146 CG2 ILE A 9 -17.173 5.591 -1.109 1.00 2.00 C ATOM 147 CD1 ILE A 9 -17.199 8.575 -3.640 1.00 2.00 C ATOM 0 H ILE A 9 -16.273 3.848 -3.135 1.00 2.00 H new ATOM 0 HA ILE A 9 -15.487 6.470 -4.050 1.00 2.00 H new ATOM 0 HB ILE A 9 -17.604 5.867 -3.210 1.00 2.00 H new ATOM 0 HG12 ILE A 9 -18.017 7.955 -1.750 1.00 2.00 H new ATOM 0 HG13 ILE A 9 -16.281 8.193 -1.732 1.00 2.00 H new ATOM 0 HG21 ILE A 9 -18.135 5.934 -0.729 1.00 2.00 H new ATOM 0 HG22 ILE A 9 -17.194 4.508 -1.226 1.00 2.00 H new ATOM 0 HG23 ILE A 9 -16.387 5.864 -0.405 1.00 2.00 H new ATOM 0 HD11 ILE A 9 -17.346 9.633 -3.423 1.00 2.00 H new ATOM 0 HD12 ILE A 9 -16.278 8.446 -4.208 1.00 2.00 H new ATOM 0 HD13 ILE A 9 -18.041 8.204 -4.225 1.00 2.00 H new ATOM 159 N ALA A 10 -13.797 5.428 -1.420 1.00 2.00 N ATOM 160 CA ALA A 10 -12.593 5.571 -0.567 1.00 2.00 C ATOM 161 C ALA A 10 -12.213 6.822 0.319 1.00 2.00 C ATOM 162 O ALA A 10 -12.853 7.874 0.313 1.00 2.00 O ATOM 163 CB ALA A 10 -11.486 5.135 -1.546 1.00 2.00 C ATOM 0 H ALA A 10 -14.325 4.585 -1.194 1.00 2.00 H new ATOM 0 HA ALA A 10 -12.797 4.997 0.337 1.00 2.00 H new ATOM 0 HB1 ALA A 10 -10.518 5.189 -1.048 1.00 2.00 H new ATOM 0 HB2 ALA A 10 -11.670 4.111 -1.871 1.00 2.00 H new ATOM 0 HB3 ALA A 10 -11.486 5.796 -2.413 1.00 2.00 H new ATOM 169 N SER A 11 -11.100 6.650 1.070 1.00 2.00 N ATOM 170 CA SER A 11 -10.505 7.656 2.004 1.00 2.00 C ATOM 171 C SER A 11 -9.849 8.957 1.394 1.00 2.00 C ATOM 172 O SER A 11 -9.972 9.230 0.196 1.00 2.00 O ATOM 173 CB SER A 11 -9.566 6.804 2.911 1.00 2.00 C ATOM 174 OG SER A 11 -9.150 7.541 4.063 1.00 2.00 O ATOM 0 H SER A 11 -10.568 5.780 1.047 1.00 2.00 H new ATOM 0 HA SER A 11 -11.299 8.162 2.553 1.00 2.00 H new ATOM 0 HB2 SER A 11 -10.083 5.897 3.224 1.00 2.00 H new ATOM 0 HB3 SER A 11 -8.691 6.491 2.341 1.00 2.00 H new ATOM 0 HG SER A 11 -8.564 6.982 4.615 1.00 2.00 H new ATOM 180 N LYS A 12 -9.134 9.761 2.214 1.00 2.00 N ATOM 181 CA LYS A 12 -8.474 11.023 1.760 1.00 2.00 C ATOM 182 C LYS A 12 -6.920 11.151 1.558 1.00 2.00 C ATOM 183 O LYS A 12 -6.464 10.865 0.447 1.00 2.00 O ATOM 184 CB LYS A 12 -9.141 12.166 2.594 1.00 2.00 C ATOM 185 CG LYS A 12 -8.859 13.631 2.158 1.00 2.00 C ATOM 186 CD LYS A 12 -9.283 14.029 0.722 1.00 2.00 C ATOM 187 CE LYS A 12 -10.795 14.026 0.429 1.00 2.00 C ATOM 188 NZ LYS A 12 -11.459 15.181 1.069 1.00 2.00 N ATOM 0 H LYS A 12 -8.994 9.562 3.205 1.00 2.00 H new ATOM 0 HA LYS A 12 -8.656 11.072 0.686 1.00 2.00 H new ATOM 0 HB2 LYS A 12 -10.220 12.011 2.574 1.00 2.00 H new ATOM 0 HB3 LYS A 12 -8.822 12.056 3.630 1.00 2.00 H new ATOM 0 HG2 LYS A 12 -9.365 14.296 2.858 1.00 2.00 H new ATOM 0 HG3 LYS A 12 -7.789 13.815 2.259 1.00 2.00 H new ATOM 0 HD2 LYS A 12 -8.897 15.027 0.516 1.00 2.00 H new ATOM 0 HD3 LYS A 12 -8.798 13.349 0.022 1.00 2.00 H new ATOM 0 HE2 LYS A 12 -10.961 14.057 -0.648 1.00 2.00 H new ATOM 0 HE3 LYS A 12 -11.238 13.099 0.793 1.00 2.00 H new ATOM 0 HZ1 LYS A 12 -12.477 15.157 0.857 1.00 2.00 H new ATOM 0 HZ2 LYS A 12 -11.318 15.136 2.098 1.00 2.00 H new ATOM 0 HZ3 LYS A 12 -11.050 16.064 0.702 1.00 2.00 H new ATOM 201 N THR A 13 -6.084 11.556 2.552 1.00 2.00 N ATOM 202 CA THR A 13 -4.595 11.695 2.344 1.00 2.00 C ATOM 203 C THR A 13 -3.573 11.576 3.537 1.00 2.00 C ATOM 204 O THR A 13 -3.918 11.635 4.716 1.00 2.00 O ATOM 205 CB THR A 13 -4.456 13.150 1.712 1.00 2.00 C ATOM 206 OG1 THR A 13 -3.172 13.389 1.149 1.00 2.00 O ATOM 207 CG2 THR A 13 -4.700 14.359 2.637 1.00 2.00 C ATOM 0 H THR A 13 -6.397 11.791 3.494 1.00 2.00 H new ATOM 0 HA THR A 13 -4.302 10.822 1.761 1.00 2.00 H new ATOM 0 HB THR A 13 -5.260 13.103 0.977 1.00 2.00 H new ATOM 0 HG1 THR A 13 -2.734 12.533 0.958 1.00 2.00 H new ATOM 0 HG21 THR A 13 -4.571 15.282 2.071 1.00 2.00 H new ATOM 0 HG22 THR A 13 -5.714 14.315 3.033 1.00 2.00 H new ATOM 0 HG23 THR A 13 -3.987 14.336 3.461 1.00 2.00 H new ATOM 215 N CYS A 14 -2.287 11.408 3.159 1.00 2.00 N ATOM 216 CA CYS A 14 -1.113 11.281 4.069 1.00 2.00 C ATOM 217 C CYS A 14 0.048 12.249 3.547 1.00 2.00 C ATOM 218 O CYS A 14 -0.057 12.766 2.427 1.00 2.00 O ATOM 219 CB CYS A 14 -0.718 9.809 4.323 1.00 2.00 C ATOM 220 SG CYS A 14 0.676 9.211 3.331 1.00 2.00 S ATOM 0 H CYS A 14 -2.021 11.354 2.176 1.00 2.00 H new ATOM 0 HA CYS A 14 -1.365 11.622 5.073 1.00 2.00 H new ATOM 0 HB2 CYS A 14 -0.471 9.691 5.378 1.00 2.00 H new ATOM 0 HB3 CYS A 14 -1.583 9.177 4.125 1.00 2.00 H new ATOM 225 N PRO A 15 1.184 12.524 4.251 1.00 2.00 N ATOM 226 CA PRO A 15 2.265 13.443 3.744 1.00 2.00 C ATOM 227 C PRO A 15 3.072 13.235 2.409 1.00 2.00 C ATOM 228 O PRO A 15 2.769 12.387 1.564 1.00 2.00 O ATOM 229 CB PRO A 15 3.207 13.465 4.981 1.00 2.00 C ATOM 230 CG PRO A 15 2.336 13.159 6.193 1.00 2.00 C ATOM 231 CD PRO A 15 1.365 12.114 5.662 1.00 2.00 C ATOM 0 HA PRO A 15 1.767 14.346 3.392 1.00 2.00 H new ATOM 0 HB2 PRO A 15 4.001 12.726 4.877 1.00 2.00 H new ATOM 0 HB3 PRO A 15 3.689 14.437 5.085 1.00 2.00 H new ATOM 0 HG2 PRO A 15 2.925 12.776 7.027 1.00 2.00 H new ATOM 0 HG3 PRO A 15 1.816 14.048 6.551 1.00 2.00 H new ATOM 0 HD2 PRO A 15 1.772 11.106 5.742 1.00 2.00 H new ATOM 0 HD3 PRO A 15 0.423 12.122 6.210 1.00 2.00 H new ATOM 239 N ALA A 16 4.014 14.171 2.150 1.00 2.00 N ATOM 240 CA ALA A 16 4.911 14.167 0.948 1.00 2.00 C ATOM 241 C ALA A 16 6.044 13.122 1.251 1.00 2.00 C ATOM 242 O ALA A 16 6.280 12.787 2.424 1.00 2.00 O ATOM 243 CB ALA A 16 5.423 15.608 0.773 1.00 2.00 C ATOM 0 H ALA A 16 4.183 14.963 2.770 1.00 2.00 H new ATOM 0 HA ALA A 16 4.428 13.877 0.015 1.00 2.00 H new ATOM 0 HB1 ALA A 16 6.083 15.657 -0.093 1.00 2.00 H new ATOM 0 HB2 ALA A 16 4.577 16.279 0.623 1.00 2.00 H new ATOM 0 HB3 ALA A 16 5.972 15.910 1.665 1.00 2.00 H new ATOM 249 N GLY A 17 6.842 12.629 0.278 1.00 2.00 N ATOM 250 CA GLY A 17 7.904 11.597 0.632 1.00 2.00 C ATOM 251 C GLY A 17 7.172 10.214 0.619 1.00 2.00 C ATOM 252 O GLY A 17 7.644 9.246 0.025 1.00 2.00 O ATOM 0 H GLY A 17 6.798 12.893 -0.706 1.00 2.00 H new ATOM 0 HA2 GLY A 17 8.722 11.614 -0.088 1.00 2.00 H new ATOM 0 HA3 GLY A 17 8.337 11.801 1.611 1.00 2.00 H new ATOM 256 N LYS A 18 6.000 10.152 1.305 1.00 2.00 N ATOM 257 CA LYS A 18 5.104 8.987 1.430 1.00 2.00 C ATOM 258 C LYS A 18 4.278 9.054 0.066 1.00 2.00 C ATOM 259 O LYS A 18 3.066 9.290 0.056 1.00 2.00 O ATOM 260 CB LYS A 18 4.212 9.179 2.694 1.00 2.00 C ATOM 261 CG LYS A 18 4.898 9.147 4.081 1.00 2.00 C ATOM 262 CD LYS A 18 4.997 7.737 4.694 1.00 2.00 C ATOM 263 CE LYS A 18 5.744 7.682 6.037 1.00 2.00 C ATOM 264 NZ LYS A 18 7.206 7.758 5.830 1.00 2.00 N ATOM 0 H LYS A 18 5.642 10.962 1.811 1.00 2.00 H new ATOM 0 HA LYS A 18 5.592 8.021 1.560 1.00 2.00 H new ATOM 0 HB2 LYS A 18 3.699 10.136 2.598 1.00 2.00 H new ATOM 0 HB3 LYS A 18 3.446 8.404 2.683 1.00 2.00 H new ATOM 0 HG2 LYS A 18 5.901 9.564 3.990 1.00 2.00 H new ATOM 0 HG3 LYS A 18 4.345 9.792 4.764 1.00 2.00 H new ATOM 0 HD2 LYS A 18 3.990 7.343 4.835 1.00 2.00 H new ATOM 0 HD3 LYS A 18 5.500 7.080 3.985 1.00 2.00 H new ATOM 0 HE2 LYS A 18 5.419 8.506 6.673 1.00 2.00 H new ATOM 0 HE3 LYS A 18 5.494 6.759 6.559 1.00 2.00 H new ATOM 0 HZ1 LYS A 18 7.689 7.736 6.751 1.00 2.00 H new ATOM 0 HZ2 LYS A 18 7.518 6.949 5.256 1.00 2.00 H new ATOM 0 HZ3 LYS A 18 7.441 8.643 5.337 1.00 2.00 H new ATOM 277 N ASN A 19 4.969 8.890 -1.091 1.00 2.00 N ATOM 278 CA ASN A 19 4.397 8.928 -2.463 1.00 2.00 C ATOM 279 C ASN A 19 3.747 7.668 -3.094 1.00 2.00 C ATOM 280 O ASN A 19 3.065 7.793 -4.112 1.00 2.00 O ATOM 281 CB ASN A 19 5.444 9.586 -3.410 1.00 2.00 C ATOM 282 CG ASN A 19 6.713 8.786 -3.744 1.00 2.00 C ATOM 283 OD1 ASN A 19 7.027 7.749 -3.178 1.00 2.00 O ATOM 284 ND2 ASN A 19 7.505 9.250 -4.674 1.00 2.00 N ATOM 0 H ASN A 19 5.975 8.722 -1.095 1.00 2.00 H new ATOM 0 HA ASN A 19 3.490 9.518 -2.332 1.00 2.00 H new ATOM 0 HB2 ASN A 19 4.943 9.825 -4.348 1.00 2.00 H new ATOM 0 HB3 ASN A 19 5.752 10.531 -2.963 1.00 2.00 H new ATOM 0 HD21 ASN A 19 8.361 8.749 -4.912 1.00 2.00 H new ATOM 0 HD22 ASN A 19 7.267 10.113 -5.162 1.00 2.00 H new ATOM 291 N LEU A 20 3.940 6.489 -2.522 1.00 2.00 N ATOM 292 CA LEU A 20 3.367 5.237 -3.038 1.00 2.00 C ATOM 293 C LEU A 20 1.982 4.948 -2.397 1.00 2.00 C ATOM 294 O LEU A 20 1.872 4.729 -1.186 1.00 2.00 O ATOM 295 CB LEU A 20 4.328 4.065 -2.698 1.00 2.00 C ATOM 296 CG LEU A 20 5.699 3.975 -3.410 1.00 2.00 C ATOM 297 CD1 LEU A 20 6.463 2.763 -2.880 1.00 2.00 C ATOM 298 CD2 LEU A 20 5.622 3.821 -4.928 1.00 2.00 C ATOM 0 H LEU A 20 4.502 6.364 -1.680 1.00 2.00 H new ATOM 0 HA LEU A 20 3.239 5.335 -4.116 1.00 2.00 H new ATOM 0 HB2 LEU A 20 4.518 4.099 -1.625 1.00 2.00 H new ATOM 0 HB3 LEU A 20 3.794 3.136 -2.898 1.00 2.00 H new ATOM 0 HG LEU A 20 6.194 4.923 -3.198 1.00 2.00 H new ATOM 0 HD11 LEU A 20 7.430 2.696 -3.379 1.00 2.00 H new ATOM 0 HD12 LEU A 20 6.616 2.870 -1.806 1.00 2.00 H new ATOM 0 HD13 LEU A 20 5.890 1.857 -3.076 1.00 2.00 H new ATOM 0 HD21 LEU A 20 6.630 3.766 -5.340 1.00 2.00 H new ATOM 0 HD22 LEU A 20 5.079 2.908 -5.174 1.00 2.00 H new ATOM 0 HD23 LEU A 20 5.102 4.679 -5.355 1.00 2.00 H new ATOM 310 N CYS A 21 0.895 4.976 -3.183 1.00 2.00 N ATOM 311 CA CYS A 21 -0.472 4.696 -2.664 1.00 2.00 C ATOM 312 C CYS A 21 -0.472 3.122 -2.628 1.00 2.00 C ATOM 313 O CYS A 21 -0.715 2.450 -3.635 1.00 2.00 O ATOM 314 CB CYS A 21 -1.499 5.342 -3.617 1.00 2.00 C ATOM 315 SG CYS A 21 -1.910 7.037 -3.174 1.00 2.00 S ATOM 0 H CYS A 21 0.926 5.188 -4.180 1.00 2.00 H new ATOM 0 HA CYS A 21 -0.733 5.103 -1.687 1.00 2.00 H new ATOM 0 HB2 CYS A 21 -1.103 5.325 -4.633 1.00 2.00 H new ATOM 0 HB3 CYS A 21 -2.410 4.743 -3.619 1.00 2.00 H new ATOM 320 N TYR A 22 -0.134 2.533 -1.468 1.00 2.00 N ATOM 321 CA TYR A 22 -0.080 1.065 -1.304 1.00 2.00 C ATOM 322 C TYR A 22 -1.372 0.209 -1.249 1.00 2.00 C ATOM 323 O TYR A 22 -2.437 0.625 -0.803 1.00 2.00 O ATOM 324 CB TYR A 22 0.956 0.690 -0.192 1.00 2.00 C ATOM 325 CG TYR A 22 0.642 0.741 1.323 1.00 2.00 C ATOM 326 CD1 TYR A 22 -0.514 1.315 1.853 1.00 2.00 C ATOM 327 CD2 TYR A 22 1.573 0.175 2.201 1.00 2.00 C ATOM 328 CE1 TYR A 22 -0.747 1.309 3.228 1.00 2.00 C ATOM 329 CE2 TYR A 22 1.364 0.210 3.579 1.00 2.00 C ATOM 330 CZ TYR A 22 0.192 0.754 4.087 1.00 2.00 C ATOM 331 OH TYR A 22 -0.055 0.715 5.431 1.00 2.00 O ATOM 0 H TYR A 22 0.108 3.052 -0.624 1.00 2.00 H new ATOM 0 HA TYR A 22 0.245 0.750 -2.296 1.00 2.00 H new ATOM 0 HB2 TYR A 22 1.278 -0.330 -0.404 1.00 2.00 H new ATOM 0 HB3 TYR A 22 1.820 1.336 -0.348 1.00 2.00 H new ATOM 0 HD1 TYR A 22 -1.236 1.769 1.191 1.00 2.00 H new ATOM 0 HD2 TYR A 22 2.463 -0.294 1.807 1.00 2.00 H new ATOM 0 HE1 TYR A 22 -1.657 1.736 3.624 1.00 2.00 H new ATOM 0 HE2 TYR A 22 2.112 -0.185 4.250 1.00 2.00 H new ATOM 0 HH TYR A 22 -0.595 -0.075 5.642 1.00 2.00 H new ATOM 341 N LYS A 23 -1.225 -1.011 -1.757 1.00 2.00 N ATOM 342 CA LYS A 23 -2.270 -2.047 -1.826 1.00 2.00 C ATOM 343 C LYS A 23 -1.686 -3.061 -0.793 1.00 2.00 C ATOM 344 O LYS A 23 -0.821 -3.882 -1.114 1.00 2.00 O ATOM 345 CB LYS A 23 -2.404 -2.662 -3.241 1.00 2.00 C ATOM 346 CG LYS A 23 -3.024 -1.769 -4.330 1.00 2.00 C ATOM 347 CD LYS A 23 -3.243 -2.558 -5.637 1.00 2.00 C ATOM 348 CE LYS A 23 -3.750 -1.715 -6.816 1.00 2.00 C ATOM 349 NZ LYS A 23 -2.677 -0.845 -7.345 1.00 2.00 N ATOM 0 H LYS A 23 -0.338 -1.326 -2.151 1.00 2.00 H new ATOM 0 HA LYS A 23 -3.282 -1.698 -1.618 1.00 2.00 H new ATOM 0 HB2 LYS A 23 -1.412 -2.965 -3.575 1.00 2.00 H new ATOM 0 HB3 LYS A 23 -3.005 -3.568 -3.162 1.00 2.00 H new ATOM 0 HG2 LYS A 23 -3.975 -1.370 -3.979 1.00 2.00 H new ATOM 0 HG3 LYS A 23 -2.372 -0.917 -4.521 1.00 2.00 H new ATOM 0 HD2 LYS A 23 -2.303 -3.030 -5.923 1.00 2.00 H new ATOM 0 HD3 LYS A 23 -3.957 -3.359 -5.447 1.00 2.00 H new ATOM 0 HE2 LYS A 23 -4.114 -2.371 -7.607 1.00 2.00 H new ATOM 0 HE3 LYS A 23 -4.593 -1.104 -6.495 1.00 2.00 H new ATOM 0 HZ1 LYS A 23 -3.044 -0.285 -8.141 1.00 2.00 H new ATOM 0 HZ2 LYS A 23 -2.348 -0.205 -6.595 1.00 2.00 H new ATOM 0 HZ3 LYS A 23 -1.883 -1.432 -7.672 1.00 2.00 H new ATOM 362 N MET A 24 -2.086 -2.948 0.481 1.00 2.00 N ATOM 363 CA MET A 24 -1.617 -3.837 1.580 1.00 2.00 C ATOM 364 C MET A 24 -2.237 -5.278 1.462 1.00 2.00 C ATOM 365 O MET A 24 -3.041 -5.698 2.291 1.00 2.00 O ATOM 366 CB MET A 24 -1.982 -3.009 2.853 1.00 2.00 C ATOM 367 CG MET A 24 -1.563 -3.549 4.218 1.00 2.00 C ATOM 368 SD MET A 24 -2.065 -2.415 5.522 1.00 2.00 S ATOM 369 CE MET A 24 -1.447 -3.327 6.942 1.00 2.00 C ATOM 0 H MET A 24 -2.748 -2.237 0.791 1.00 2.00 H new ATOM 0 HA MET A 24 -0.553 -4.075 1.578 1.00 2.00 H new ATOM 0 HB2 MET A 24 -1.544 -2.017 2.740 1.00 2.00 H new ATOM 0 HB3 MET A 24 -3.064 -2.880 2.866 1.00 2.00 H new ATOM 0 HG2 MET A 24 -2.015 -4.527 4.384 1.00 2.00 H new ATOM 0 HG3 MET A 24 -0.482 -3.689 4.245 1.00 2.00 H new ATOM 0 HE1 MET A 24 -1.668 -2.773 7.854 1.00 2.00 H new ATOM 0 HE2 MET A 24 -1.929 -4.304 6.985 1.00 2.00 H new ATOM 0 HE3 MET A 24 -0.369 -3.458 6.849 1.00 2.00 H new ATOM 379 N PHE A 25 -1.842 -6.036 0.422 1.00 2.00 N ATOM 380 CA PHE A 25 -2.321 -7.416 0.148 1.00 2.00 C ATOM 381 C PHE A 25 -2.079 -8.434 1.304 1.00 2.00 C ATOM 382 O PHE A 25 -0.974 -8.484 1.844 1.00 2.00 O ATOM 383 CB PHE A 25 -1.613 -7.919 -1.153 1.00 2.00 C ATOM 384 CG PHE A 25 -2.024 -7.477 -2.579 1.00 2.00 C ATOM 385 CD1 PHE A 25 -3.196 -6.775 -2.880 1.00 2.00 C ATOM 386 CD2 PHE A 25 -1.236 -7.949 -3.636 1.00 2.00 C ATOM 387 CE1 PHE A 25 -3.558 -6.522 -4.202 1.00 2.00 C ATOM 388 CE2 PHE A 25 -1.610 -7.719 -4.959 1.00 2.00 C ATOM 389 CZ PHE A 25 -2.762 -6.994 -5.240 1.00 2.00 C ATOM 0 H PHE A 25 -1.168 -5.706 -0.268 1.00 2.00 H new ATOM 0 HA PHE A 25 -3.404 -7.363 0.038 1.00 2.00 H new ATOM 0 HB2 PHE A 25 -0.559 -7.665 -1.046 1.00 2.00 H new ATOM 0 HB3 PHE A 25 -1.682 -9.007 -1.138 1.00 2.00 H new ATOM 0 HD1 PHE A 25 -3.828 -6.425 -2.078 1.00 2.00 H new ATOM 0 HD2 PHE A 25 -0.330 -8.497 -3.424 1.00 2.00 H new ATOM 0 HE1 PHE A 25 -4.455 -5.961 -4.420 1.00 2.00 H new ATOM 0 HE2 PHE A 25 -1.004 -8.104 -5.766 1.00 2.00 H new ATOM 0 HZ PHE A 25 -3.039 -6.797 -6.265 1.00 2.00 H new ATOM 399 N MET A 26 -3.100 -9.211 1.707 1.00 2.00 N ATOM 400 CA MET A 26 -2.959 -10.216 2.802 1.00 2.00 C ATOM 401 C MET A 26 -1.976 -11.357 2.383 1.00 2.00 C ATOM 402 O MET A 26 -2.139 -11.903 1.289 1.00 2.00 O ATOM 403 CB MET A 26 -4.335 -10.918 3.040 1.00 2.00 C ATOM 404 CG MET A 26 -5.441 -10.170 3.788 1.00 2.00 C ATOM 405 SD MET A 26 -6.975 -11.108 3.672 1.00 2.00 S ATOM 406 CE MET A 26 -7.928 -10.252 4.933 1.00 2.00 C ATOM 0 H MET A 26 -4.034 -9.171 1.299 1.00 2.00 H new ATOM 0 HA MET A 26 -2.599 -9.689 3.686 1.00 2.00 H new ATOM 0 HB2 MET A 26 -4.732 -11.199 2.064 1.00 2.00 H new ATOM 0 HB3 MET A 26 -4.141 -11.843 3.583 1.00 2.00 H new ATOM 0 HG2 MET A 26 -5.162 -10.034 4.833 1.00 2.00 H new ATOM 0 HG3 MET A 26 -5.576 -9.176 3.362 1.00 2.00 H new ATOM 0 HE1 MET A 26 -8.920 -10.699 5.006 1.00 2.00 H new ATOM 0 HE2 MET A 26 -7.420 -10.338 5.894 1.00 2.00 H new ATOM 0 HE3 MET A 26 -8.023 -9.200 4.665 1.00 2.00 H new ATOM 416 N MET A 27 -0.971 -11.746 3.197 1.00 2.00 N ATOM 417 CA MET A 27 -0.029 -12.855 2.794 1.00 2.00 C ATOM 418 C MET A 27 -0.801 -14.204 2.457 1.00 2.00 C ATOM 419 O MET A 27 -0.413 -14.944 1.551 1.00 2.00 O ATOM 420 CB MET A 27 1.079 -12.996 3.866 1.00 2.00 C ATOM 421 CG MET A 27 2.349 -13.764 3.438 1.00 2.00 C ATOM 422 SD MET A 27 2.040 -15.530 3.208 1.00 2.00 S ATOM 423 CE MET A 27 2.206 -16.126 4.900 1.00 2.00 C ATOM 0 H MET A 27 -0.780 -11.335 4.111 1.00 2.00 H new ATOM 0 HA MET A 27 0.465 -12.598 1.857 1.00 2.00 H new ATOM 0 HB2 MET A 27 1.375 -11.997 4.186 1.00 2.00 H new ATOM 0 HB3 MET A 27 0.653 -13.497 4.735 1.00 2.00 H new ATOM 0 HG2 MET A 27 2.731 -13.341 2.509 1.00 2.00 H new ATOM 0 HG3 MET A 27 3.124 -13.629 4.192 1.00 2.00 H new ATOM 0 HE1 MET A 27 2.043 -17.203 4.924 1.00 2.00 H new ATOM 0 HE2 MET A 27 3.207 -15.903 5.268 1.00 2.00 H new ATOM 0 HE3 MET A 27 1.469 -15.633 5.533 1.00 2.00 H new ATOM 433 N SER A 28 -1.905 -14.493 3.183 1.00 2.00 N ATOM 434 CA SER A 28 -2.744 -15.702 2.984 1.00 2.00 C ATOM 435 C SER A 28 -3.687 -15.604 1.712 1.00 2.00 C ATOM 436 O SER A 28 -3.957 -16.624 1.075 1.00 2.00 O ATOM 437 CB SER A 28 -3.547 -15.984 4.274 1.00 2.00 C ATOM 438 OG SER A 28 -2.698 -16.195 5.405 1.00 2.00 O ATOM 0 H SER A 28 -2.244 -13.889 3.932 1.00 2.00 H new ATOM 0 HA SER A 28 -2.079 -16.542 2.782 1.00 2.00 H new ATOM 0 HB2 SER A 28 -4.215 -15.146 4.475 1.00 2.00 H new ATOM 0 HB3 SER A 28 -4.175 -16.863 4.124 1.00 2.00 H new ATOM 0 HG SER A 28 -3.247 -16.368 6.198 1.00 2.00 H new ATOM 444 N ASP A 29 -4.247 -14.416 1.384 1.00 2.00 N ATOM 445 CA ASP A 29 -5.147 -14.191 0.212 1.00 2.00 C ATOM 446 C ASP A 29 -4.843 -12.753 -0.359 1.00 2.00 C ATOM 447 O ASP A 29 -5.567 -11.790 -0.103 1.00 2.00 O ATOM 448 CB ASP A 29 -6.620 -14.429 0.643 1.00 2.00 C ATOM 449 CG ASP A 29 -7.600 -14.546 -0.525 1.00 2.00 C ATOM 450 OD1 ASP A 29 -7.742 -13.700 -1.403 1.00 2.00 O ATOM 451 OD2 ASP A 29 -8.303 -15.709 -0.491 1.00 2.00 O ATOM 0 H ASP A 29 -4.088 -13.569 1.930 1.00 2.00 H new ATOM 0 HA ASP A 29 -4.969 -14.897 -0.599 1.00 2.00 H new ATOM 0 HB2 ASP A 29 -6.670 -15.340 1.239 1.00 2.00 H new ATOM 0 HB3 ASP A 29 -6.936 -13.609 1.288 1.00 2.00 H new ATOM 457 N LEU A 30 -3.816 -12.650 -1.215 1.00 2.00 N ATOM 458 CA LEU A 30 -3.358 -11.387 -1.857 1.00 2.00 C ATOM 459 C LEU A 30 -4.381 -10.414 -2.553 1.00 2.00 C ATOM 460 O LEU A 30 -4.653 -9.341 -2.013 1.00 2.00 O ATOM 461 CB LEU A 30 -2.176 -11.774 -2.823 1.00 2.00 C ATOM 462 CG LEU A 30 -0.822 -12.361 -2.331 1.00 2.00 C ATOM 463 CD1 LEU A 30 -0.038 -11.392 -1.442 1.00 2.00 C ATOM 464 CD2 LEU A 30 -0.904 -13.740 -1.654 1.00 2.00 C ATOM 0 H LEU A 30 -3.260 -13.458 -1.494 1.00 2.00 H new ATOM 0 HA LEU A 30 -3.080 -10.748 -1.019 1.00 2.00 H new ATOM 0 HB2 LEU A 30 -2.583 -12.494 -3.533 1.00 2.00 H new ATOM 0 HB3 LEU A 30 -1.933 -10.873 -3.387 1.00 2.00 H new ATOM 0 HG LEU A 30 -0.277 -12.512 -3.263 1.00 2.00 H new ATOM 0 HD11 LEU A 30 0.897 -11.859 -1.131 1.00 2.00 H new ATOM 0 HD12 LEU A 30 0.179 -10.481 -2.000 1.00 2.00 H new ATOM 0 HD13 LEU A 30 -0.631 -11.145 -0.561 1.00 2.00 H new ATOM 0 HD21 LEU A 30 0.094 -14.056 -1.350 1.00 2.00 H new ATOM 0 HD22 LEU A 30 -1.548 -13.677 -0.777 1.00 2.00 H new ATOM 0 HD23 LEU A 30 -1.316 -14.466 -2.355 1.00 2.00 H new ATOM 476 N THR A 31 -4.883 -10.776 -3.751 1.00 2.00 N ATOM 477 CA THR A 31 -5.868 -10.004 -4.592 1.00 2.00 C ATOM 478 C THR A 31 -6.757 -8.863 -3.972 1.00 2.00 C ATOM 479 O THR A 31 -6.729 -7.724 -4.452 1.00 2.00 O ATOM 480 CB THR A 31 -6.649 -11.064 -5.445 1.00 2.00 C ATOM 481 OG1 THR A 31 -7.520 -10.424 -6.366 1.00 2.00 O ATOM 482 CG2 THR A 31 -7.508 -12.100 -4.686 1.00 2.00 C ATOM 0 H THR A 31 -4.611 -11.653 -4.194 1.00 2.00 H new ATOM 0 HA THR A 31 -5.265 -9.323 -5.193 1.00 2.00 H new ATOM 0 HB THR A 31 -5.835 -11.617 -5.914 1.00 2.00 H new ATOM 0 HG1 THR A 31 -7.997 -11.101 -6.890 1.00 2.00 H new ATOM 0 HG21 THR A 31 -7.989 -12.767 -5.401 1.00 2.00 H new ATOM 0 HG22 THR A 31 -6.872 -12.681 -4.018 1.00 2.00 H new ATOM 0 HG23 THR A 31 -8.270 -11.583 -4.102 1.00 2.00 H new ATOM 490 N ILE A 32 -7.598 -9.180 -2.975 1.00 2.00 N ATOM 491 CA ILE A 32 -8.492 -8.199 -2.291 1.00 2.00 C ATOM 492 C ILE A 32 -7.621 -7.814 -1.018 1.00 2.00 C ATOM 493 O ILE A 32 -7.597 -8.603 -0.064 1.00 2.00 O ATOM 494 CB ILE A 32 -9.917 -8.818 -2.008 1.00 2.00 C ATOM 495 CG1 ILE A 32 -10.886 -8.820 -3.232 1.00 2.00 C ATOM 496 CG2 ILE A 32 -10.688 -8.099 -0.869 1.00 2.00 C ATOM 497 CD1 ILE A 32 -10.535 -9.760 -4.394 1.00 2.00 C ATOM 0 H ILE A 32 -7.686 -10.128 -2.609 1.00 2.00 H new ATOM 0 HA ILE A 32 -8.761 -7.312 -2.865 1.00 2.00 H new ATOM 0 HB ILE A 32 -9.659 -9.841 -1.733 1.00 2.00 H new ATOM 0 HG12 ILE A 32 -11.883 -9.079 -2.875 1.00 2.00 H new ATOM 0 HG13 ILE A 32 -10.941 -7.804 -3.622 1.00 2.00 H new ATOM 0 HG21 ILE A 32 -11.658 -8.576 -0.729 1.00 2.00 H new ATOM 0 HG22 ILE A 32 -10.115 -8.164 0.056 1.00 2.00 H new ATOM 0 HG23 ILE A 32 -10.834 -7.052 -1.133 1.00 2.00 H new ATOM 0 HD11 ILE A 32 -11.286 -9.665 -5.178 1.00 2.00 H new ATOM 0 HD12 ILE A 32 -9.557 -9.494 -4.794 1.00 2.00 H new ATOM 0 HD13 ILE A 32 -10.513 -10.789 -4.035 1.00 2.00 H new ATOM 509 N PRO A 33 -6.939 -6.632 -0.916 1.00 2.00 N ATOM 510 CA PRO A 33 -6.118 -6.289 0.279 1.00 2.00 C ATOM 511 C PRO A 33 -6.718 -6.057 1.700 1.00 2.00 C ATOM 512 O PRO A 33 -7.926 -5.978 1.920 1.00 2.00 O ATOM 513 CB PRO A 33 -5.434 -4.979 -0.213 1.00 2.00 C ATOM 514 CG PRO A 33 -6.359 -4.384 -1.267 1.00 2.00 C ATOM 515 CD PRO A 33 -6.895 -5.615 -1.985 1.00 2.00 C ATOM 0 HA PRO A 33 -5.536 -7.178 0.521 1.00 2.00 H new ATOM 0 HB2 PRO A 33 -5.287 -4.283 0.613 1.00 2.00 H new ATOM 0 HB3 PRO A 33 -4.450 -5.188 -0.633 1.00 2.00 H new ATOM 0 HG2 PRO A 33 -7.160 -3.798 -0.817 1.00 2.00 H new ATOM 0 HG3 PRO A 33 -5.823 -3.721 -1.947 1.00 2.00 H new ATOM 0 HD2 PRO A 33 -7.882 -5.435 -2.412 1.00 2.00 H new ATOM 0 HD3 PRO A 33 -6.244 -5.919 -2.805 1.00 2.00 H new ATOM 523 N VAL A 34 -5.800 -5.960 2.686 1.00 2.00 N ATOM 524 CA VAL A 34 -6.138 -5.713 4.129 1.00 2.00 C ATOM 525 C VAL A 34 -6.578 -4.183 4.202 1.00 2.00 C ATOM 526 O VAL A 34 -7.616 -3.813 4.753 1.00 2.00 O ATOM 527 CB VAL A 34 -4.932 -5.930 5.129 1.00 2.00 C ATOM 528 CG1 VAL A 34 -5.320 -5.718 6.616 1.00 2.00 C ATOM 529 CG2 VAL A 34 -4.220 -7.288 5.069 1.00 2.00 C ATOM 0 H VAL A 34 -4.798 -6.049 2.517 1.00 2.00 H new ATOM 0 HA VAL A 34 -6.906 -6.424 4.434 1.00 2.00 H new ATOM 0 HB VAL A 34 -4.245 -5.164 4.769 1.00 2.00 H new ATOM 0 HG11 VAL A 34 -4.447 -5.883 7.247 1.00 2.00 H new ATOM 0 HG12 VAL A 34 -5.682 -4.699 6.756 1.00 2.00 H new ATOM 0 HG13 VAL A 34 -6.104 -6.423 6.891 1.00 2.00 H new ATOM 0 HG21 VAL A 34 -3.414 -7.309 5.803 1.00 2.00 H new ATOM 0 HG22 VAL A 34 -4.933 -8.083 5.290 1.00 2.00 H new ATOM 0 HG23 VAL A 34 -3.807 -7.438 4.072 1.00 2.00 H new ATOM 539 N LYS A 35 -5.720 -3.309 3.634 1.00 2.00 N ATOM 540 CA LYS A 35 -5.880 -1.852 3.553 1.00 2.00 C ATOM 541 C LYS A 35 -5.364 -1.360 2.163 1.00 2.00 C ATOM 542 O LYS A 35 -4.615 -2.027 1.446 1.00 2.00 O ATOM 543 CB LYS A 35 -5.111 -1.200 4.751 1.00 2.00 C ATOM 544 CG LYS A 35 -5.907 -0.181 5.595 1.00 2.00 C ATOM 545 CD LYS A 35 -7.017 -0.839 6.450 1.00 2.00 C ATOM 546 CE LYS A 35 -7.740 0.132 7.397 1.00 2.00 C ATOM 547 NZ LYS A 35 -6.919 0.432 8.588 1.00 2.00 N ATOM 0 H LYS A 35 -4.853 -3.623 3.198 1.00 2.00 H new ATOM 0 HA LYS A 35 -6.927 -1.558 3.631 1.00 2.00 H new ATOM 0 HB2 LYS A 35 -4.765 -1.996 5.411 1.00 2.00 H new ATOM 0 HB3 LYS A 35 -4.224 -0.702 4.359 1.00 2.00 H new ATOM 0 HG2 LYS A 35 -5.220 0.354 6.251 1.00 2.00 H new ATOM 0 HG3 LYS A 35 -6.357 0.558 4.932 1.00 2.00 H new ATOM 0 HD2 LYS A 35 -7.751 -1.294 5.785 1.00 2.00 H new ATOM 0 HD3 LYS A 35 -6.578 -1.644 7.039 1.00 2.00 H new ATOM 0 HE2 LYS A 35 -7.968 1.057 6.868 1.00 2.00 H new ATOM 0 HE3 LYS A 35 -8.691 -0.300 7.708 1.00 2.00 H new ATOM 0 HZ1 LYS A 35 -7.434 1.090 9.208 1.00 2.00 H new ATOM 0 HZ2 LYS A 35 -6.722 -0.449 9.105 1.00 2.00 H new ATOM 0 HZ3 LYS A 35 -6.022 0.867 8.291 1.00 2.00 H new ATOM 560 N ARG A 36 -5.816 -0.197 1.710 1.00 2.00 N ATOM 561 CA ARG A 36 -5.370 0.362 0.394 1.00 2.00 C ATOM 562 C ARG A 36 -5.012 1.858 0.716 1.00 2.00 C ATOM 563 O ARG A 36 -5.667 2.800 0.275 1.00 2.00 O ATOM 564 CB ARG A 36 -6.406 -0.079 -0.672 1.00 2.00 C ATOM 565 CG ARG A 36 -6.031 0.091 -2.159 1.00 2.00 C ATOM 566 CD ARG A 36 -6.997 -0.623 -3.131 1.00 2.00 C ATOM 567 NE ARG A 36 -8.259 0.164 -3.199 1.00 2.00 N ATOM 568 CZ ARG A 36 -9.314 -0.097 -3.953 1.00 2.00 C ATOM 569 NH1 ARG A 36 -9.419 -1.146 -4.717 1.00 2.00 N ATOM 570 NH2 ARG A 36 -10.302 0.735 -3.911 1.00 2.00 N ATOM 0 H ARG A 36 -6.484 0.388 2.211 1.00 2.00 H new ATOM 0 HA ARG A 36 -4.464 0.001 -0.092 1.00 2.00 H new ATOM 0 HB2 ARG A 36 -6.632 -1.132 -0.503 1.00 2.00 H new ATOM 0 HB3 ARG A 36 -7.326 0.477 -0.494 1.00 2.00 H new ATOM 0 HG2 ARG A 36 -6.009 1.154 -2.399 1.00 2.00 H new ATOM 0 HG3 ARG A 36 -5.023 -0.293 -2.316 1.00 2.00 H new ATOM 0 HD2 ARG A 36 -6.547 -0.706 -4.121 1.00 2.00 H new ATOM 0 HD3 ARG A 36 -7.200 -1.637 -2.787 1.00 2.00 H new ATOM 0 HE ARG A 36 -8.316 0.990 -2.603 1.00 2.00 H new ATOM 0 HH11 ARG A 36 -8.659 -1.825 -4.758 1.00 2.00 H new ATOM 0 HH12 ARG A 36 -10.261 -1.289 -5.275 1.00 2.00 H new ATOM 0 HH21 ARG A 36 -10.250 1.558 -3.311 1.00 2.00 H new ATOM 0 HH22 ARG A 36 -11.133 0.569 -4.478 1.00 2.00 H new ATOM 584 N GLY A 37 -3.938 2.070 1.511 1.00 2.00 N ATOM 585 CA GLY A 37 -3.468 3.416 1.924 1.00 2.00 C ATOM 586 C GLY A 37 -2.374 4.229 1.197 1.00 2.00 C ATOM 587 O GLY A 37 -2.284 4.259 -0.027 1.00 2.00 O ATOM 0 H GLY A 37 -3.370 1.311 1.886 1.00 2.00 H new ATOM 0 HA2 GLY A 37 -4.353 4.051 1.940 1.00 2.00 H new ATOM 0 HA3 GLY A 37 -3.130 3.313 2.955 1.00 2.00 H new ATOM 591 N CYS A 38 -1.569 4.927 2.009 1.00 2.00 N ATOM 592 CA CYS A 38 -0.444 5.797 1.564 1.00 2.00 C ATOM 593 C CYS A 38 0.903 5.511 2.311 1.00 2.00 C ATOM 594 O CYS A 38 0.938 5.464 3.544 1.00 2.00 O ATOM 595 CB CYS A 38 -1.048 7.188 1.879 1.00 2.00 C ATOM 596 SG CYS A 38 0.034 8.582 1.551 1.00 2.00 S ATOM 0 H CYS A 38 -1.675 4.910 3.023 1.00 2.00 H new ATOM 0 HA CYS A 38 -0.142 5.657 0.526 1.00 2.00 H new ATOM 0 HB2 CYS A 38 -1.960 7.311 1.295 1.00 2.00 H new ATOM 0 HB3 CYS A 38 -1.337 7.212 2.930 1.00 2.00 H new ATOM 601 N ILE A 39 2.022 5.363 1.575 1.00 2.00 N ATOM 602 CA ILE A 39 3.374 5.080 2.169 1.00 2.00 C ATOM 603 C ILE A 39 4.601 5.566 1.302 1.00 2.00 C ATOM 604 O ILE A 39 4.425 6.016 0.175 1.00 2.00 O ATOM 605 CB ILE A 39 3.422 3.528 2.446 1.00 2.00 C ATOM 606 CG1 ILE A 39 4.353 3.088 3.599 1.00 2.00 C ATOM 607 CG2 ILE A 39 3.749 2.698 1.172 1.00 2.00 C ATOM 608 CD1 ILE A 39 4.129 3.761 4.966 1.00 2.00 C ATOM 0 H ILE A 39 2.031 5.433 0.557 1.00 2.00 H new ATOM 0 HA ILE A 39 3.483 5.661 3.085 1.00 2.00 H new ATOM 0 HB ILE A 39 2.404 3.312 2.770 1.00 2.00 H new ATOM 0 HG12 ILE A 39 4.247 2.011 3.729 1.00 2.00 H new ATOM 0 HG13 ILE A 39 5.383 3.273 3.294 1.00 2.00 H new ATOM 0 HG21 ILE A 39 3.769 1.638 1.424 1.00 2.00 H new ATOM 0 HG22 ILE A 39 2.985 2.877 0.415 1.00 2.00 H new ATOM 0 HG23 ILE A 39 4.723 2.997 0.783 1.00 2.00 H new ATOM 0 HD11 ILE A 39 4.844 3.366 5.687 1.00 2.00 H new ATOM 0 HD12 ILE A 39 4.268 4.838 4.869 1.00 2.00 H new ATOM 0 HD13 ILE A 39 3.115 3.556 5.311 1.00 2.00 H new ATOM 620 N ASP A 40 5.855 5.495 1.797 1.00 2.00 N ATOM 621 CA ASP A 40 7.080 5.934 1.026 1.00 2.00 C ATOM 622 C ASP A 40 7.647 4.836 0.071 1.00 2.00 C ATOM 623 O ASP A 40 7.873 5.052 -1.118 1.00 2.00 O ATOM 624 CB ASP A 40 8.117 6.614 1.969 1.00 2.00 C ATOM 625 CG ASP A 40 8.743 5.761 3.072 1.00 2.00 C ATOM 626 OD1 ASP A 40 8.111 5.311 4.022 1.00 2.00 O ATOM 627 OD2 ASP A 40 10.074 5.556 2.882 1.00 2.00 O ATOM 0 H ASP A 40 6.066 5.139 2.729 1.00 2.00 H new ATOM 0 HA ASP A 40 6.775 6.710 0.324 1.00 2.00 H new ATOM 0 HB2 ASP A 40 8.924 7.008 1.351 1.00 2.00 H new ATOM 0 HB3 ASP A 40 7.631 7.468 2.441 1.00 2.00 H new ATOM 633 N VAL A 41 7.923 3.683 0.659 1.00 2.00 N ATOM 634 CA VAL A 41 8.461 2.460 0.008 1.00 2.00 C ATOM 635 C VAL A 41 7.467 1.344 0.470 1.00 2.00 C ATOM 636 O VAL A 41 6.874 1.451 1.550 1.00 2.00 O ATOM 637 CB VAL A 41 9.954 2.212 0.437 1.00 2.00 C ATOM 638 CG1 VAL A 41 10.545 0.878 -0.078 1.00 2.00 C ATOM 639 CG2 VAL A 41 10.916 3.325 -0.047 1.00 2.00 C ATOM 0 H VAL A 41 7.776 3.549 1.659 1.00 2.00 H new ATOM 0 HA VAL A 41 8.513 2.512 -1.079 1.00 2.00 H new ATOM 0 HB VAL A 41 9.890 2.195 1.525 1.00 2.00 H new ATOM 0 HG11 VAL A 41 11.577 0.782 0.260 1.00 2.00 H new ATOM 0 HG12 VAL A 41 9.957 0.046 0.310 1.00 2.00 H new ATOM 0 HG13 VAL A 41 10.518 0.865 -1.168 1.00 2.00 H new ATOM 0 HG21 VAL A 41 11.930 3.097 0.280 1.00 2.00 H new ATOM 0 HG22 VAL A 41 10.890 3.381 -1.135 1.00 2.00 H new ATOM 0 HG23 VAL A 41 10.606 4.282 0.373 1.00 2.00 H new ATOM 649 N CYS A 42 7.205 0.291 -0.341 1.00 2.00 N ATOM 650 CA CYS A 42 6.272 -0.848 0.009 1.00 2.00 C ATOM 651 C CYS A 42 7.019 -1.430 1.302 1.00 2.00 C ATOM 652 O CYS A 42 8.114 -1.983 1.145 1.00 2.00 O ATOM 653 CB CYS A 42 6.203 -1.723 -1.275 1.00 2.00 C ATOM 654 SG CYS A 42 6.494 -0.753 -2.799 1.00 2.00 S ATOM 0 H CYS A 42 7.628 0.192 -1.264 1.00 2.00 H new ATOM 0 HA CYS A 42 5.226 -0.674 0.261 1.00 2.00 H new ATOM 0 HB2 CYS A 42 6.944 -2.520 -1.208 1.00 2.00 H new ATOM 0 HB3 CYS A 42 5.225 -2.201 -1.333 1.00 2.00 H new ATOM 659 N PRO A 43 6.548 -1.220 2.573 1.00 2.00 N ATOM 660 CA PRO A 43 7.234 -1.719 3.784 1.00 2.00 C ATOM 661 C PRO A 43 7.728 -3.166 3.995 1.00 2.00 C ATOM 662 O PRO A 43 7.522 -4.069 3.184 1.00 2.00 O ATOM 663 CB PRO A 43 6.320 -1.220 4.934 1.00 2.00 C ATOM 664 CG PRO A 43 5.461 -0.125 4.339 1.00 2.00 C ATOM 665 CD PRO A 43 5.261 -0.576 2.901 1.00 2.00 C ATOM 0 HA PRO A 43 8.250 -1.333 3.702 1.00 2.00 H new ATOM 0 HB2 PRO A 43 5.704 -2.031 5.323 1.00 2.00 H new ATOM 0 HB3 PRO A 43 6.912 -0.842 5.767 1.00 2.00 H new ATOM 0 HG2 PRO A 43 4.512 -0.028 4.866 1.00 2.00 H new ATOM 0 HG3 PRO A 43 5.954 0.846 4.391 1.00 2.00 H new ATOM 0 HD2 PRO A 43 4.427 -1.271 2.808 1.00 2.00 H new ATOM 0 HD3 PRO A 43 5.050 0.265 2.240 1.00 2.00 H new ATOM 673 N LYS A 44 8.400 -3.346 5.150 1.00 2.00 N ATOM 674 CA LYS A 44 8.960 -4.650 5.572 1.00 2.00 C ATOM 675 C LYS A 44 7.739 -5.541 5.992 1.00 2.00 C ATOM 676 O LYS A 44 7.217 -5.486 7.110 1.00 2.00 O ATOM 677 CB LYS A 44 9.981 -4.460 6.726 1.00 2.00 C ATOM 678 CG LYS A 44 11.342 -3.841 6.329 1.00 2.00 C ATOM 679 CD LYS A 44 12.289 -3.714 7.538 1.00 2.00 C ATOM 680 CE LYS A 44 13.636 -3.083 7.154 1.00 2.00 C ATOM 681 NZ LYS A 44 14.472 -2.957 8.365 1.00 2.00 N ATOM 0 H LYS A 44 8.571 -2.594 5.817 1.00 2.00 H new ATOM 0 HA LYS A 44 9.513 -5.133 4.767 1.00 2.00 H new ATOM 0 HB2 LYS A 44 9.525 -3.828 7.488 1.00 2.00 H new ATOM 0 HB3 LYS A 44 10.166 -5.431 7.185 1.00 2.00 H new ATOM 0 HG2 LYS A 44 11.812 -4.458 5.563 1.00 2.00 H new ATOM 0 HG3 LYS A 44 11.179 -2.857 5.890 1.00 2.00 H new ATOM 0 HD2 LYS A 44 11.812 -3.109 8.309 1.00 2.00 H new ATOM 0 HD3 LYS A 44 12.461 -4.701 7.968 1.00 2.00 H new ATOM 0 HE2 LYS A 44 14.142 -3.699 6.410 1.00 2.00 H new ATOM 0 HE3 LYS A 44 13.478 -2.104 6.703 1.00 2.00 H new ATOM 0 HZ1 LYS A 44 15.386 -2.530 8.113 1.00 2.00 H new ATOM 0 HZ2 LYS A 44 13.988 -2.353 9.060 1.00 2.00 H new ATOM 0 HZ3 LYS A 44 14.631 -3.899 8.776 1.00 2.00 H new ATOM 694 N ASN A 45 7.246 -6.305 5.014 1.00 2.00 N ATOM 695 CA ASN A 45 6.096 -7.214 5.179 1.00 2.00 C ATOM 696 C ASN A 45 6.299 -8.425 6.149 1.00 2.00 C ATOM 697 O ASN A 45 7.421 -8.847 6.442 1.00 2.00 O ATOM 698 CB ASN A 45 5.662 -7.607 3.737 1.00 2.00 C ATOM 699 CG ASN A 45 6.489 -8.652 2.977 1.00 2.00 C ATOM 700 OD1 ASN A 45 7.506 -8.348 2.369 1.00 2.00 O ATOM 701 ND2 ASN A 45 6.067 -9.889 2.947 1.00 2.00 N ATOM 0 H ASN A 45 7.635 -6.314 4.071 1.00 2.00 H new ATOM 0 HA ASN A 45 5.298 -6.695 5.709 1.00 2.00 H new ATOM 0 HB2 ASN A 45 4.636 -7.971 3.789 1.00 2.00 H new ATOM 0 HB3 ASN A 45 5.647 -6.697 3.137 1.00 2.00 H new ATOM 0 HD21 ASN A 45 6.585 -10.592 2.420 1.00 2.00 H new ATOM 0 HD22 ASN A 45 5.220 -10.151 3.451 1.00 2.00 H new ATOM 708 N SER A 46 5.183 -8.953 6.671 1.00 2.00 N ATOM 709 CA SER A 46 5.209 -10.108 7.607 1.00 2.00 C ATOM 710 C SER A 46 4.191 -11.229 7.243 1.00 2.00 C ATOM 711 O SER A 46 3.602 -11.214 6.159 1.00 2.00 O ATOM 712 CB SER A 46 5.128 -9.523 9.046 1.00 2.00 C ATOM 713 OG SER A 46 5.411 -10.527 10.025 1.00 2.00 O ATOM 0 H SER A 46 4.246 -8.605 6.467 1.00 2.00 H new ATOM 0 HA SER A 46 6.142 -10.667 7.527 1.00 2.00 H new ATOM 0 HB2 SER A 46 5.836 -8.701 9.148 1.00 2.00 H new ATOM 0 HB3 SER A 46 4.134 -9.111 9.219 1.00 2.00 H new ATOM 0 HG SER A 46 5.356 -10.135 10.921 1.00 2.00 H new ATOM 719 N LEU A 47 3.977 -12.237 8.115 1.00 2.00 N ATOM 720 CA LEU A 47 3.005 -13.353 7.832 1.00 2.00 C ATOM 721 C LEU A 47 1.498 -12.947 7.562 1.00 2.00 C ATOM 722 O LEU A 47 0.671 -13.765 7.161 1.00 2.00 O ATOM 723 CB LEU A 47 3.225 -14.505 8.852 1.00 2.00 C ATOM 724 CG LEU A 47 2.843 -14.289 10.344 1.00 2.00 C ATOM 725 CD1 LEU A 47 1.347 -14.531 10.613 1.00 2.00 C ATOM 726 CD2 LEU A 47 3.643 -15.249 11.240 1.00 2.00 C ATOM 0 H LEU A 47 4.451 -12.315 9.015 1.00 2.00 H new ATOM 0 HA LEU A 47 3.248 -13.730 6.839 1.00 2.00 H new ATOM 0 HB2 LEU A 47 2.667 -15.370 8.494 1.00 2.00 H new ATOM 0 HB3 LEU A 47 4.281 -14.772 8.820 1.00 2.00 H new ATOM 0 HG LEU A 47 3.076 -13.249 10.572 1.00 2.00 H new ATOM 0 HD11 LEU A 47 1.136 -14.366 11.670 1.00 2.00 H new ATOM 0 HD12 LEU A 47 0.753 -13.842 10.013 1.00 2.00 H new ATOM 0 HD13 LEU A 47 1.091 -15.557 10.347 1.00 2.00 H new ATOM 0 HD21 LEU A 47 3.367 -15.089 12.282 1.00 2.00 H new ATOM 0 HD22 LEU A 47 3.420 -16.279 10.960 1.00 2.00 H new ATOM 0 HD23 LEU A 47 4.709 -15.061 11.114 1.00 2.00 H new ATOM 738 N LEU A 48 1.165 -11.679 7.829 1.00 2.00 N ATOM 739 CA LEU A 48 -0.171 -11.067 7.647 1.00 2.00 C ATOM 740 C LEU A 48 -0.236 -10.126 6.375 1.00 2.00 C ATOM 741 O LEU A 48 -1.330 -9.671 6.031 1.00 2.00 O ATOM 742 CB LEU A 48 -0.517 -10.250 8.932 1.00 2.00 C ATOM 743 CG LEU A 48 -0.588 -10.995 10.292 1.00 2.00 C ATOM 744 CD1 LEU A 48 -0.794 -9.990 11.436 1.00 2.00 C ATOM 745 CD2 LEU A 48 -1.710 -12.044 10.337 1.00 2.00 C ATOM 0 H LEU A 48 1.846 -11.014 8.195 1.00 2.00 H new ATOM 0 HA LEU A 48 -0.896 -11.865 7.485 1.00 2.00 H new ATOM 0 HB2 LEU A 48 0.224 -9.456 9.028 1.00 2.00 H new ATOM 0 HB3 LEU A 48 -1.481 -9.769 8.768 1.00 2.00 H new ATOM 0 HG LEU A 48 0.361 -11.518 10.411 1.00 2.00 H new ATOM 0 HD11 LEU A 48 -0.842 -10.524 12.385 1.00 2.00 H new ATOM 0 HD12 LEU A 48 0.039 -9.287 11.457 1.00 2.00 H new ATOM 0 HD13 LEU A 48 -1.725 -9.445 11.278 1.00 2.00 H new ATOM 0 HD21 LEU A 48 -1.712 -12.533 11.311 1.00 2.00 H new ATOM 0 HD22 LEU A 48 -2.671 -11.556 10.174 1.00 2.00 H new ATOM 0 HD23 LEU A 48 -1.544 -12.788 9.558 1.00 2.00 H new ATOM 757 N VAL A 49 0.885 -9.819 5.666 1.00 2.00 N ATOM 758 CA VAL A 49 0.901 -8.931 4.460 1.00 2.00 C ATOM 759 C VAL A 49 2.094 -9.127 3.444 1.00 2.00 C ATOM 760 O VAL A 49 3.132 -9.718 3.740 1.00 2.00 O ATOM 761 CB VAL A 49 0.842 -7.458 5.040 1.00 2.00 C ATOM 762 CG1 VAL A 49 2.104 -6.977 5.800 1.00 2.00 C ATOM 763 CG2 VAL A 49 0.487 -6.371 4.019 1.00 2.00 C ATOM 0 H VAL A 49 1.807 -10.179 5.912 1.00 2.00 H new ATOM 0 HA VAL A 49 0.052 -9.186 3.826 1.00 2.00 H new ATOM 0 HB VAL A 49 0.026 -7.576 5.753 1.00 2.00 H new ATOM 0 HG11 VAL A 49 1.950 -5.957 6.151 1.00 2.00 H new ATOM 0 HG12 VAL A 49 2.286 -7.631 6.653 1.00 2.00 H new ATOM 0 HG13 VAL A 49 2.964 -7.005 5.131 1.00 2.00 H new ATOM 0 HG21 VAL A 49 0.472 -5.399 4.513 1.00 2.00 H new ATOM 0 HG22 VAL A 49 1.232 -6.362 3.223 1.00 2.00 H new ATOM 0 HG23 VAL A 49 -0.495 -6.578 3.594 1.00 2.00 H new ATOM 773 N LYS A 50 1.917 -8.569 2.236 1.00 2.00 N ATOM 774 CA LYS A 50 2.883 -8.585 1.090 1.00 2.00 C ATOM 775 C LYS A 50 2.441 -7.374 0.181 1.00 2.00 C ATOM 776 O LYS A 50 1.824 -7.505 -0.876 1.00 2.00 O ATOM 777 CB LYS A 50 2.992 -9.971 0.412 1.00 2.00 C ATOM 778 CG LYS A 50 4.151 -10.060 -0.607 1.00 2.00 C ATOM 779 CD LYS A 50 4.392 -11.490 -1.133 1.00 2.00 C ATOM 780 CE LYS A 50 5.493 -11.593 -2.205 1.00 2.00 C ATOM 781 NZ LYS A 50 6.839 -11.334 -1.649 1.00 2.00 N ATOM 0 H LYS A 50 1.060 -8.066 2.005 1.00 2.00 H new ATOM 0 HA LYS A 50 3.920 -8.442 1.394 1.00 2.00 H new ATOM 0 HB2 LYS A 50 3.131 -10.733 1.178 1.00 2.00 H new ATOM 0 HB3 LYS A 50 2.053 -10.196 -0.094 1.00 2.00 H new ATOM 0 HG2 LYS A 50 3.937 -9.402 -1.449 1.00 2.00 H new ATOM 0 HG3 LYS A 50 5.065 -9.693 -0.140 1.00 2.00 H new ATOM 0 HD2 LYS A 50 4.657 -12.134 -0.294 1.00 2.00 H new ATOM 0 HD3 LYS A 50 3.460 -11.874 -1.548 1.00 2.00 H new ATOM 0 HE2 LYS A 50 5.471 -12.587 -2.652 1.00 2.00 H new ATOM 0 HE3 LYS A 50 5.288 -10.880 -3.004 1.00 2.00 H new ATOM 0 HZ1 LYS A 50 7.548 -11.414 -2.405 1.00 2.00 H new ATOM 0 HZ2 LYS A 50 6.869 -10.376 -1.246 1.00 2.00 H new ATOM 0 HZ3 LYS A 50 7.047 -12.030 -0.905 1.00 2.00 H new ATOM 794 N TYR A 51 2.792 -6.167 0.646 1.00 2.00 N ATOM 795 CA TYR A 51 2.497 -4.861 0.001 1.00 2.00 C ATOM 796 C TYR A 51 2.834 -4.549 -1.501 1.00 2.00 C ATOM 797 O TYR A 51 3.974 -4.649 -1.959 1.00 2.00 O ATOM 798 CB TYR A 51 3.258 -3.771 0.835 1.00 2.00 C ATOM 799 CG TYR A 51 3.162 -3.739 2.375 1.00 2.00 C ATOM 800 CD1 TYR A 51 2.076 -3.150 3.022 1.00 2.00 C ATOM 801 CD2 TYR A 51 4.229 -4.224 3.137 1.00 2.00 C ATOM 802 CE1 TYR A 51 2.071 -3.030 4.413 1.00 2.00 C ATOM 803 CE2 TYR A 51 4.206 -4.125 4.525 1.00 2.00 C ATOM 804 CZ TYR A 51 3.131 -3.521 5.161 1.00 2.00 C ATOM 805 OH TYR A 51 3.125 -3.375 6.521 1.00 2.00 O ATOM 0 H TYR A 51 3.311 -6.059 1.517 1.00 2.00 H new ATOM 0 HA TYR A 51 1.407 -4.879 -0.010 1.00 2.00 H new ATOM 0 HB2 TYR A 51 4.315 -3.856 0.583 1.00 2.00 H new ATOM 0 HB3 TYR A 51 2.921 -2.799 0.474 1.00 2.00 H new ATOM 0 HD1 TYR A 51 1.238 -2.786 2.446 1.00 2.00 H new ATOM 0 HD2 TYR A 51 5.077 -4.678 2.645 1.00 2.00 H new ATOM 0 HE1 TYR A 51 1.238 -2.553 4.909 1.00 2.00 H new ATOM 0 HE2 TYR A 51 5.026 -4.519 5.108 1.00 2.00 H new ATOM 0 HH TYR A 51 3.938 -3.774 6.896 1.00 2.00 H new ATOM 815 N VAL A 52 1.806 -4.112 -2.235 1.00 2.00 N ATOM 816 CA VAL A 52 1.883 -3.730 -3.682 1.00 2.00 C ATOM 817 C VAL A 52 1.835 -2.151 -3.626 1.00 2.00 C ATOM 818 O VAL A 52 1.296 -1.544 -2.692 1.00 2.00 O ATOM 819 CB VAL A 52 0.878 -4.551 -4.555 1.00 2.00 C ATOM 820 CG1 VAL A 52 0.568 -3.937 -5.937 1.00 2.00 C ATOM 821 CG2 VAL A 52 1.436 -5.974 -4.795 1.00 2.00 C ATOM 0 H VAL A 52 0.868 -4.005 -1.848 1.00 2.00 H new ATOM 0 HA VAL A 52 2.783 -4.002 -4.233 1.00 2.00 H new ATOM 0 HB VAL A 52 -0.051 -4.554 -3.985 1.00 2.00 H new ATOM 0 HG11 VAL A 52 -0.137 -4.576 -6.469 1.00 2.00 H new ATOM 0 HG12 VAL A 52 0.133 -2.946 -5.806 1.00 2.00 H new ATOM 0 HG13 VAL A 52 1.489 -3.855 -6.514 1.00 2.00 H new ATOM 0 HG21 VAL A 52 0.733 -6.543 -5.404 1.00 2.00 H new ATOM 0 HG22 VAL A 52 2.393 -5.907 -5.313 1.00 2.00 H new ATOM 0 HG23 VAL A 52 1.576 -6.476 -3.838 1.00 2.00 H new ATOM 831 N CYS A 53 2.373 -1.426 -4.616 1.00 2.00 N ATOM 832 CA CYS A 53 2.367 0.070 -4.596 1.00 2.00 C ATOM 833 C CYS A 53 2.398 0.830 -5.964 1.00 2.00 C ATOM 834 O CYS A 53 2.797 0.294 -7.000 1.00 2.00 O ATOM 835 CB CYS A 53 3.668 0.348 -3.776 1.00 2.00 C ATOM 836 SG CYS A 53 5.016 -0.834 -4.143 1.00 2.00 S ATOM 0 H CYS A 53 2.817 -1.832 -5.439 1.00 2.00 H new ATOM 0 HA CYS A 53 1.423 0.441 -4.196 1.00 2.00 H new ATOM 0 HB2 CYS A 53 4.013 1.360 -3.987 1.00 2.00 H new ATOM 0 HB3 CYS A 53 3.435 0.305 -2.712 1.00 2.00 H new ATOM 841 N CYS A 54 1.975 2.114 -5.935 1.00 2.00 N ATOM 842 CA CYS A 54 1.935 3.001 -7.132 1.00 2.00 C ATOM 843 C CYS A 54 2.271 4.484 -6.726 1.00 2.00 C ATOM 844 O CYS A 54 1.545 5.110 -5.952 1.00 2.00 O ATOM 845 CB CYS A 54 0.579 2.821 -7.848 1.00 2.00 C ATOM 846 SG CYS A 54 -0.797 3.425 -6.852 1.00 2.00 S ATOM 0 H CYS A 54 1.650 2.570 -5.082 1.00 2.00 H new ATOM 0 HA CYS A 54 2.704 2.723 -7.852 1.00 2.00 H new ATOM 0 HB2 CYS A 54 0.598 3.352 -8.800 1.00 2.00 H new ATOM 0 HB3 CYS A 54 0.426 1.766 -8.075 1.00 2.00 H new ATOM 851 N ASN A 55 3.330 5.072 -7.304 1.00 2.00 N ATOM 852 CA ASN A 55 3.814 6.476 -7.041 1.00 2.00 C ATOM 853 C ASN A 55 2.924 7.776 -7.178 1.00 2.00 C ATOM 854 O ASN A 55 3.496 8.873 -7.144 1.00 2.00 O ATOM 855 CB ASN A 55 5.052 6.627 -7.996 1.00 2.00 C ATOM 856 CG ASN A 55 6.301 5.800 -7.688 1.00 2.00 C ATOM 857 OD1 ASN A 55 6.434 4.659 -8.109 1.00 2.00 O ATOM 858 ND2 ASN A 55 7.239 6.327 -6.946 1.00 2.00 N ATOM 0 H ASN A 55 3.905 4.585 -7.992 1.00 2.00 H new ATOM 0 HA ASN A 55 3.933 6.492 -5.958 1.00 2.00 H new ATOM 0 HB2 ASN A 55 4.727 6.378 -9.006 1.00 2.00 H new ATOM 0 HB3 ASN A 55 5.341 7.678 -8.005 1.00 2.00 H new ATOM 0 HD21 ASN A 55 8.075 5.788 -6.721 1.00 2.00 H new ATOM 0 HD22 ASN A 55 7.135 7.278 -6.591 1.00 2.00 H new ATOM 865 N THR A 56 1.587 7.739 -7.312 1.00 2.00 N ATOM 866 CA THR A 56 0.758 8.988 -7.443 1.00 2.00 C ATOM 867 C THR A 56 -0.585 9.014 -6.628 1.00 2.00 C ATOM 868 O THR A 56 -0.966 8.078 -5.919 1.00 2.00 O ATOM 869 CB THR A 56 0.642 9.344 -8.972 1.00 2.00 C ATOM 870 OG1 THR A 56 0.219 10.693 -9.140 1.00 2.00 O ATOM 871 CG2 THR A 56 -0.328 8.493 -9.806 1.00 2.00 C ATOM 0 H THR A 56 1.045 6.875 -7.334 1.00 2.00 H new ATOM 0 HA THR A 56 1.280 9.800 -6.937 1.00 2.00 H new ATOM 0 HB THR A 56 1.650 9.147 -9.338 1.00 2.00 H new ATOM 0 HG1 THR A 56 0.154 10.899 -10.096 1.00 2.00 H new ATOM 0 HG21 THR A 56 -0.317 8.837 -10.840 1.00 2.00 H new ATOM 0 HG22 THR A 56 -0.020 7.448 -9.768 1.00 2.00 H new ATOM 0 HG23 THR A 56 -1.336 8.589 -9.402 1.00 2.00 H new ATOM 879 N ASP A 57 -1.282 10.160 -6.704 1.00 2.00 N ATOM 880 CA ASP A 57 -2.575 10.406 -6.011 1.00 2.00 C ATOM 881 C ASP A 57 -3.767 9.493 -6.461 1.00 2.00 C ATOM 882 O ASP A 57 -4.164 9.502 -7.629 1.00 2.00 O ATOM 883 CB ASP A 57 -2.931 11.910 -6.204 1.00 2.00 C ATOM 884 CG ASP A 57 -2.002 12.920 -5.521 1.00 2.00 C ATOM 885 OD1 ASP A 57 -1.624 12.816 -4.358 1.00 2.00 O ATOM 886 OD2 ASP A 57 -1.655 13.950 -6.343 1.00 2.00 O ATOM 0 H ASP A 57 -0.965 10.958 -7.254 1.00 2.00 H new ATOM 0 HA ASP A 57 -2.432 10.146 -4.962 1.00 2.00 H new ATOM 0 HB2 ASP A 57 -2.943 12.124 -7.273 1.00 2.00 H new ATOM 0 HB3 ASP A 57 -3.944 12.072 -5.835 1.00 2.00 H new ATOM 892 N ARG A 58 -4.354 8.733 -5.518 1.00 2.00 N ATOM 893 CA ARG A 58 -5.505 7.802 -5.778 1.00 2.00 C ATOM 894 C ARG A 58 -5.293 6.635 -6.824 1.00 2.00 C ATOM 895 O ARG A 58 -6.263 5.977 -7.205 1.00 2.00 O ATOM 896 CB ARG A 58 -6.823 8.641 -5.955 1.00 2.00 C ATOM 897 CG ARG A 58 -7.477 9.177 -4.645 1.00 2.00 C ATOM 898 CD ARG A 58 -8.860 9.849 -4.850 1.00 2.00 C ATOM 899 NE ARG A 58 -9.655 9.817 -3.577 1.00 2.00 N ATOM 900 CZ ARG A 58 -10.876 9.292 -3.425 1.00 2.00 C ATOM 901 NH1 ARG A 58 -11.632 8.891 -4.405 1.00 2.00 N ATOM 902 NH2 ARG A 58 -11.346 9.138 -2.234 1.00 2.00 N ATOM 0 H ARG A 58 -4.053 8.736 -4.543 1.00 2.00 H new ATOM 0 HA ARG A 58 -5.597 7.185 -4.884 1.00 2.00 H new ATOM 0 HB2 ARG A 58 -6.604 9.491 -6.602 1.00 2.00 H new ATOM 0 HB3 ARG A 58 -7.555 8.024 -6.476 1.00 2.00 H new ATOM 0 HG2 ARG A 58 -7.588 8.350 -3.944 1.00 2.00 H new ATOM 0 HG3 ARG A 58 -6.801 9.897 -4.184 1.00 2.00 H new ATOM 0 HD2 ARG A 58 -8.725 10.881 -5.175 1.00 2.00 H new ATOM 0 HD3 ARG A 58 -9.407 9.335 -5.640 1.00 2.00 H new ATOM 0 HE ARG A 58 -9.224 10.234 -2.752 1.00 2.00 H new ATOM 0 HH11 ARG A 58 -11.303 8.967 -5.367 1.00 2.00 H new ATOM 0 HH12 ARG A 58 -12.554 8.500 -4.211 1.00 2.00 H new ATOM 0 HH21 ARG A 58 -10.789 9.415 -1.426 1.00 2.00 H new ATOM 0 HH22 ARG A 58 -12.275 8.739 -2.100 1.00 2.00 H new ATOM 916 N CYS A 59 -4.047 6.311 -7.225 1.00 2.00 N ATOM 917 CA CYS A 59 -3.749 5.223 -8.208 1.00 2.00 C ATOM 918 C CYS A 59 -4.017 3.734 -7.778 1.00 2.00 C ATOM 919 O CYS A 59 -4.036 2.839 -8.626 1.00 2.00 O ATOM 920 CB CYS A 59 -2.302 5.470 -8.670 1.00 2.00 C ATOM 921 SG CYS A 59 -1.129 5.345 -7.304 1.00 2.00 S ATOM 0 H CYS A 59 -3.213 6.789 -6.883 1.00 2.00 H new ATOM 0 HA CYS A 59 -4.479 5.299 -9.014 1.00 2.00 H new ATOM 0 HB2 CYS A 59 -2.039 4.747 -9.442 1.00 2.00 H new ATOM 0 HB3 CYS A 59 -2.229 6.459 -9.122 1.00 2.00 H new ATOM 926 N ASN A 60 -4.220 3.466 -6.480 1.00 2.00 N ATOM 927 CA ASN A 60 -4.486 2.113 -5.938 1.00 2.00 C ATOM 928 C ASN A 60 -5.993 1.730 -6.064 1.00 2.00 C ATOM 929 O ASN A 60 -6.882 2.081 -5.288 1.00 2.00 O ATOM 930 CB ASN A 60 -3.904 2.024 -4.505 1.00 2.00 C ATOM 931 CG ASN A 60 -4.318 3.047 -3.436 1.00 2.00 C ATOM 932 OD1 ASN A 60 -4.939 4.077 -3.669 1.00 2.00 O ATOM 933 ND2 ASN A 60 -3.905 2.837 -2.221 1.00 2.00 N ATOM 934 OXT ASN A 60 -6.240 0.961 -7.163 1.00 0.00 O ATOM 0 H ASN A 60 -4.205 4.190 -5.761 1.00 2.00 H new ATOM 0 HA ASN A 60 -3.976 1.355 -6.532 1.00 2.00 H new ATOM 0 HB2 ASN A 60 -4.149 1.035 -4.118 1.00 2.00 H new ATOM 0 HB3 ASN A 60 -2.819 2.071 -4.594 1.00 2.00 H new ATOM 0 HD21 ASN A 60 -4.100 3.521 -1.490 1.00 2.00 H new ATOM 0 HD22 ASN A 60 -3.386 1.988 -1.999 1.00 2.00 H new