USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 487 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ -130:sc= 0.0414 (180deg=-0.968) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0484 X(o=-0.048,f=-0.023) 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 24 MET CE :methyl -162:sc= -0.0119 (180deg=-0.659) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.31) 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 SER OG : rot 140:sc= 0.0201 USER MOD Single : A 46 SER OG : rot -19:sc= 0.823 USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0238) USER MOD Single : A 51 TYR OH : rot 150:sc= -0.299 USER MOD Single : A 55 ASN : amide:sc= -0.871 K(o=-0.87,f=-0.36) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.548 USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0814) USER MOD Single : A 60 ASN : amide:sc= -5.88! C(o=-5.9!,f=-16!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 2.072 14.722 -4.601 1.00 0.00 N ATOM 2 CA LEU A 1 2.763 13.446 -4.548 1.00 0.00 C ATOM 3 C LEU A 1 2.044 12.442 -5.451 1.00 0.00 C ATOM 4 O LEU A 1 0.861 12.606 -5.748 1.00 0.00 O ATOM 5 CB LEU A 1 2.908 12.975 -3.099 1.00 0.00 C ATOM 6 CG LEU A 1 3.998 13.664 -2.275 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.437 14.876 -1.529 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.679 12.673 -1.330 1.00 0.00 C ATOM 0 H1 LEU A 1 2.758 15.481 -4.789 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.362 14.701 -5.361 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.600 14.899 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 1 3.779 13.548 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.953 13.119 -2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.107 11.903 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 1 4.762 14.033 -2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.232 15.348 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.037 15.592 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.642 14.553 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.449 13.188 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.939 12.253 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 1 5.135 11.871 -1.911 1.00 0.00 H new ATOM 20 N LYS A 2 2.787 11.426 -5.863 1.00 0.00 N ATOM 21 CA LYS A 2 2.235 10.397 -6.727 1.00 0.00 C ATOM 22 C LYS A 2 2.534 9.021 -6.129 1.00 0.00 C ATOM 23 O LYS A 2 3.671 8.736 -5.756 1.00 0.00 O ATOM 24 CB LYS A 2 2.745 10.568 -8.159 1.00 0.00 C ATOM 25 CG LYS A 2 4.268 10.715 -8.185 1.00 0.00 C ATOM 26 CD LYS A 2 4.806 10.606 -9.613 1.00 0.00 C ATOM 27 CE LYS A 2 4.437 11.844 -10.433 1.00 0.00 C ATOM 28 NZ LYS A 2 5.109 11.810 -11.752 1.00 0.00 N ATOM 0 H LYS A 2 3.767 11.293 -5.614 1.00 0.00 H new ATOM 0 HA LYS A 2 1.151 10.492 -6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.449 9.708 -8.759 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.284 11.446 -8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.551 11.677 -7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.722 9.944 -7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.890 10.490 -9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.401 9.714 -10.091 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.357 11.889 -10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.727 12.745 -9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.848 12.657 -12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.140 11.790 -11.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.811 10.960 -12.271 1.00 0.00 H new ATOM 42 N CYS A 3 1.493 8.204 -6.056 1.00 0.00 N ATOM 43 CA CYS A 3 1.630 6.865 -5.509 1.00 0.00 C ATOM 44 C CYS A 3 0.823 5.904 -6.384 1.00 0.00 C ATOM 45 O CYS A 3 0.174 6.325 -7.341 1.00 0.00 O ATOM 46 CB CYS A 3 1.194 6.805 -4.044 1.00 0.00 C ATOM 47 SG CYS A 3 2.512 7.195 -2.835 1.00 0.00 S ATOM 0 H CYS A 3 0.551 8.444 -6.367 1.00 0.00 H new ATOM 0 HA CYS A 3 2.679 6.571 -5.520 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.368 7.500 -3.897 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.811 5.806 -3.834 1.00 0.00 H new ATOM 52 N LYS A 4 0.888 4.630 -6.025 1.00 0.00 N ATOM 53 CA LYS A 4 0.171 3.606 -6.766 1.00 0.00 C ATOM 54 C LYS A 4 -1.143 3.291 -6.050 1.00 0.00 C ATOM 55 O LYS A 4 -1.283 3.555 -4.857 1.00 0.00 O ATOM 56 CB LYS A 4 1.061 2.380 -6.984 1.00 0.00 C ATOM 57 CG LYS A 4 2.108 2.649 -8.068 1.00 0.00 C ATOM 58 CD LYS A 4 1.531 2.396 -9.462 1.00 0.00 C ATOM 59 CE LYS A 4 2.560 2.716 -10.548 1.00 0.00 C ATOM 60 NZ LYS A 4 1.986 2.481 -11.892 1.00 0.00 N ATOM 0 H LYS A 4 1.426 4.284 -5.231 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.086 3.966 -7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.558 2.116 -6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.447 1.526 -7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.455 3.680 -7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.975 2.009 -7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.219 1.355 -9.547 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.641 3.008 -9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.880 3.754 -10.459 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.446 2.096 -10.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.698 2.703 -12.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.702 1.484 -11.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.154 3.090 -12.026 1.00 0.00 H new ATOM 74 N LYS A 5 -2.074 2.731 -6.809 1.00 0.00 N ATOM 75 CA LYS A 5 -3.373 2.378 -6.262 1.00 0.00 C ATOM 76 C LYS A 5 -3.353 0.914 -5.817 1.00 0.00 C ATOM 77 O LYS A 5 -2.285 0.323 -5.664 1.00 0.00 O ATOM 78 CB LYS A 5 -4.483 2.701 -7.264 1.00 0.00 C ATOM 79 CG LYS A 5 -4.468 4.184 -7.640 1.00 0.00 C ATOM 80 CD LYS A 5 -5.880 4.686 -7.948 1.00 0.00 C ATOM 81 CE LYS A 5 -6.650 4.980 -6.660 1.00 0.00 C ATOM 82 NZ LYS A 5 -8.094 5.142 -6.945 1.00 0.00 N ATOM 0 H LYS A 5 -1.954 2.513 -7.798 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.590 2.978 -5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.357 2.094 -8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.451 2.440 -6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.042 4.766 -6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.827 4.336 -8.508 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.824 5.589 -8.557 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.416 3.939 -8.534 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.503 4.168 -5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.261 5.886 -6.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.602 5.341 -6.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.231 5.932 -7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.465 4.267 -7.368 1.00 0.00 H new ATOM 96 N LEU A 6 -4.546 0.372 -5.621 1.00 0.00 N ATOM 97 CA LEU A 6 -4.679 -1.011 -5.196 1.00 0.00 C ATOM 98 C LEU A 6 -3.832 -1.903 -6.107 1.00 0.00 C ATOM 99 O LEU A 6 -3.095 -2.763 -5.628 1.00 0.00 O ATOM 100 CB LEU A 6 -6.153 -1.415 -5.139 1.00 0.00 C ATOM 101 CG LEU A 6 -6.934 -0.932 -3.914 1.00 0.00 C ATOM 102 CD1 LEU A 6 -7.327 0.539 -4.060 1.00 0.00 C ATOM 103 CD2 LEU A 6 -8.147 -1.826 -3.649 1.00 0.00 C ATOM 0 H LEU A 6 -5.429 0.866 -5.749 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.299 -1.136 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.648 -1.036 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.213 -2.503 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.283 -1.007 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.881 0.857 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.428 1.147 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.952 0.662 -4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.684 -1.461 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.809 -1.807 -4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.813 -2.848 -3.470 1.00 0.00 H new ATOM 115 N VAL A 7 -3.966 -1.667 -7.404 1.00 0.00 N ATOM 116 CA VAL A 7 -3.223 -2.438 -8.386 1.00 0.00 C ATOM 117 C VAL A 7 -2.007 -1.633 -8.846 1.00 0.00 C ATOM 118 O VAL A 7 -2.110 -0.432 -9.094 1.00 0.00 O ATOM 119 CB VAL A 7 -4.143 -2.843 -9.539 1.00 0.00 C ATOM 120 CG1 VAL A 7 -3.375 -3.628 -10.604 1.00 0.00 C ATOM 121 CG2 VAL A 7 -5.344 -3.642 -9.028 1.00 0.00 C ATOM 0 H VAL A 7 -4.578 -0.952 -7.798 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.852 -3.363 -7.944 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.520 -1.931 -10.002 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.053 -3.904 -11.412 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.569 -3.010 -11.001 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.955 -4.530 -10.159 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.982 -3.917 -9.868 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.994 -4.545 -8.527 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.913 -3.034 -8.325 1.00 0.00 H new ATOM 131 N PRO A 8 -0.852 -2.343 -8.948 1.00 0.00 N ATOM 132 CA PRO A 8 0.383 -1.707 -9.374 1.00 0.00 C ATOM 133 C PRO A 8 0.372 -1.442 -10.881 1.00 0.00 C ATOM 134 O PRO A 8 1.233 -1.935 -11.608 1.00 0.00 O ATOM 135 CB PRO A 8 1.485 -2.663 -8.948 1.00 0.00 C ATOM 136 CG PRO A 8 0.808 -4.005 -8.719 1.00 0.00 C ATOM 137 CD PRO A 8 -0.692 -3.766 -8.663 1.00 0.00 C ATOM 0 HA PRO A 8 0.528 -0.726 -8.922 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.254 -2.740 -9.717 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.976 -2.313 -8.040 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.054 -4.699 -9.523 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.158 -4.456 -7.790 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.218 -4.378 -9.396 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.097 -4.022 -7.684 1.00 0.00 H new ATOM 145 N LEU A 9 -0.613 -0.664 -11.306 1.00 0.00 N ATOM 146 CA LEU A 9 -0.748 -0.328 -12.713 1.00 0.00 C ATOM 147 C LEU A 9 -1.205 1.126 -12.843 1.00 0.00 C ATOM 148 O LEU A 9 -0.646 1.888 -13.630 1.00 0.00 O ATOM 149 CB LEU A 9 -1.667 -1.327 -13.417 1.00 0.00 C ATOM 150 CG LEU A 9 -1.044 -2.679 -13.771 1.00 0.00 C ATOM 151 CD1 LEU A 9 -2.092 -3.792 -13.738 1.00 0.00 C ATOM 152 CD2 LEU A 9 -0.319 -2.613 -15.117 1.00 0.00 C ATOM 0 H LEU A 9 -1.325 -0.257 -10.700 1.00 0.00 H new ATOM 0 HA LEU A 9 0.215 -0.407 -13.218 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.533 -1.504 -12.780 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.035 -0.868 -14.335 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.297 -2.919 -13.014 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.622 -4.742 -13.993 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.522 -3.857 -12.739 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.880 -3.572 -14.458 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.115 -3.587 -15.345 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.027 -2.339 -15.899 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.473 -1.866 -15.067 1.00 0.00 H new ATOM 164 N PHE A 10 -2.218 1.467 -12.060 1.00 0.00 N ATOM 165 CA PHE A 10 -2.757 2.816 -12.079 1.00 0.00 C ATOM 166 C PHE A 10 -2.218 3.638 -10.905 1.00 0.00 C ATOM 167 O PHE A 10 -2.169 3.154 -9.776 1.00 0.00 O ATOM 168 CB PHE A 10 -4.276 2.693 -11.944 1.00 0.00 C ATOM 169 CG PHE A 10 -4.988 2.324 -13.248 1.00 0.00 C ATOM 170 CD1 PHE A 10 -5.159 1.017 -13.583 1.00 0.00 C ATOM 171 CD2 PHE A 10 -5.449 3.304 -14.071 1.00 0.00 C ATOM 172 CE1 PHE A 10 -5.820 0.675 -14.792 1.00 0.00 C ATOM 173 CE2 PHE A 10 -6.109 2.961 -15.281 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.281 1.654 -15.616 1.00 0.00 C ATOM 0 H PHE A 10 -2.680 0.832 -11.408 1.00 0.00 H new ATOM 0 HA PHE A 10 -2.470 3.318 -13.003 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.504 1.938 -11.191 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.676 3.639 -11.578 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.792 0.239 -12.929 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.313 4.342 -13.805 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.957 -0.363 -15.058 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.475 3.738 -15.935 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.783 1.394 -16.536 1.00 0.00 H new ATOM 184 N SER A 11 -1.829 4.866 -11.214 1.00 0.00 N ATOM 185 CA SER A 11 -1.296 5.759 -10.200 1.00 0.00 C ATOM 186 C SER A 11 -2.211 6.975 -10.040 1.00 0.00 C ATOM 187 O SER A 11 -2.854 7.403 -10.997 1.00 0.00 O ATOM 188 CB SER A 11 0.124 6.207 -10.551 1.00 0.00 C ATOM 189 OG SER A 11 0.279 6.445 -11.947 1.00 0.00 O ATOM 0 H SER A 11 -1.872 5.263 -12.152 1.00 0.00 H new ATOM 0 HA SER A 11 -1.254 5.217 -9.256 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.364 7.116 -9.999 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.834 5.444 -10.232 1.00 0.00 H new ATOM 0 HG SER A 11 1.198 6.731 -12.130 1.00 0.00 H new ATOM 195 N LYS A 12 -2.241 7.497 -8.822 1.00 0.00 N ATOM 196 CA LYS A 12 -3.067 8.655 -8.525 1.00 0.00 C ATOM 197 C LYS A 12 -2.225 9.701 -7.791 1.00 0.00 C ATOM 198 O LYS A 12 -1.270 9.358 -7.095 1.00 0.00 O ATOM 199 CB LYS A 12 -4.325 8.234 -7.763 1.00 0.00 C ATOM 200 CG LYS A 12 -5.134 9.456 -7.322 1.00 0.00 C ATOM 201 CD LYS A 12 -6.476 9.037 -6.718 1.00 0.00 C ATOM 202 CE LYS A 12 -7.503 8.744 -7.814 1.00 0.00 C ATOM 203 NZ LYS A 12 -8.844 8.535 -7.225 1.00 0.00 N ATOM 0 H LYS A 12 -1.707 7.139 -8.030 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.420 9.118 -9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.941 7.595 -8.396 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.045 7.644 -6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.565 10.028 -6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.304 10.111 -8.176 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.339 8.152 -6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.849 9.828 -6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.535 9.573 -8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.203 7.858 -8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.529 8.337 -7.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.813 7.730 -6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.134 9.391 -6.710 1.00 0.00 H new ATOM 217 N THR A 13 -2.610 10.956 -7.972 1.00 0.00 N ATOM 218 CA THR A 13 -1.902 12.055 -7.337 1.00 0.00 C ATOM 219 C THR A 13 -2.715 12.603 -6.162 1.00 0.00 C ATOM 220 O THR A 13 -3.837 13.073 -6.344 1.00 0.00 O ATOM 221 CB THR A 13 -1.598 13.104 -8.408 1.00 0.00 C ATOM 222 OG1 THR A 13 -0.847 12.392 -9.388 1.00 0.00 O ATOM 223 CG2 THR A 13 -0.635 14.184 -7.912 1.00 0.00 C ATOM 0 H THR A 13 -3.403 11.236 -8.549 1.00 0.00 H new ATOM 0 HA THR A 13 -0.955 11.723 -6.911 1.00 0.00 H new ATOM 0 HB THR A 13 -2.528 13.569 -8.735 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.609 12.997 -10.121 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.453 14.903 -8.710 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.073 14.696 -7.055 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.308 13.723 -7.616 1.00 0.00 H new ATOM 231 N CYS A 14 -2.116 12.525 -4.982 1.00 0.00 N ATOM 232 CA CYS A 14 -2.770 13.008 -3.778 1.00 0.00 C ATOM 233 C CYS A 14 -3.158 14.472 -3.996 1.00 0.00 C ATOM 234 O CYS A 14 -2.292 15.342 -4.081 1.00 0.00 O ATOM 235 CB CYS A 14 -1.884 12.831 -2.543 1.00 0.00 C ATOM 236 SG CYS A 14 -1.263 11.129 -2.282 1.00 0.00 S ATOM 0 H CYS A 14 -1.185 12.135 -4.835 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.668 12.419 -3.588 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.031 13.505 -2.625 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.448 13.136 -1.662 1.00 0.00 H new ATOM 241 N PRO A 15 -4.495 14.705 -4.083 1.00 0.00 N ATOM 242 CA PRO A 15 -5.008 16.049 -4.290 1.00 0.00 C ATOM 243 C PRO A 15 -4.912 16.876 -3.006 1.00 0.00 C ATOM 244 O PRO A 15 -4.540 16.357 -1.955 1.00 0.00 O ATOM 245 CB PRO A 15 -6.439 15.855 -4.766 1.00 0.00 C ATOM 246 CG PRO A 15 -6.823 14.439 -4.365 1.00 0.00 C ATOM 247 CD PRO A 15 -5.549 13.700 -3.987 1.00 0.00 C ATOM 0 HA PRO A 15 -4.431 16.611 -5.024 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.106 16.585 -4.307 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.513 15.989 -5.845 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.518 14.455 -3.526 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.328 13.933 -5.188 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.614 13.289 -2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.361 12.864 -4.661 1.00 0.00 H new ATOM 255 N ALA A 16 -5.256 18.149 -3.134 1.00 0.00 N ATOM 256 CA ALA A 16 -5.213 19.053 -1.997 1.00 0.00 C ATOM 257 C ALA A 16 -5.901 18.394 -0.800 1.00 0.00 C ATOM 258 O ALA A 16 -6.994 17.846 -0.932 1.00 0.00 O ATOM 259 CB ALA A 16 -5.860 20.386 -2.379 1.00 0.00 C ATOM 0 H ALA A 16 -5.566 18.576 -4.007 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.182 19.261 -1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.828 21.064 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.317 20.828 -3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.897 20.217 -2.669 1.00 0.00 H new ATOM 265 N GLY A 17 -5.232 18.468 0.341 1.00 0.00 N ATOM 266 CA GLY A 17 -5.765 17.884 1.560 1.00 0.00 C ATOM 267 C GLY A 17 -4.913 16.699 2.019 1.00 0.00 C ATOM 268 O GLY A 17 -4.650 16.543 3.210 1.00 0.00 O ATOM 0 H GLY A 17 -4.326 18.924 0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.797 18.639 2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.791 17.555 1.392 1.00 0.00 H new ATOM 272 N LYS A 18 -4.507 15.893 1.049 1.00 0.00 N ATOM 273 CA LYS A 18 -3.690 14.726 1.338 1.00 0.00 C ATOM 274 C LYS A 18 -2.288 14.936 0.765 1.00 0.00 C ATOM 275 O LYS A 18 -2.134 15.477 -0.329 1.00 0.00 O ATOM 276 CB LYS A 18 -4.377 13.455 0.835 1.00 0.00 C ATOM 277 CG LYS A 18 -5.798 13.342 1.391 1.00 0.00 C ATOM 278 CD LYS A 18 -6.625 12.341 0.582 1.00 0.00 C ATOM 279 CE LYS A 18 -7.987 12.099 1.236 1.00 0.00 C ATOM 280 NZ LYS A 18 -8.769 11.115 0.456 1.00 0.00 N ATOM 0 H LYS A 18 -4.728 16.025 0.062 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.578 14.596 2.414 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.409 13.461 -0.255 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.796 12.582 1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.760 13.029 2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.280 14.319 1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.766 12.716 -0.432 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.084 11.398 0.501 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.849 11.737 2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.537 13.038 1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.690 10.962 0.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.917 11.475 -0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.250 10.215 0.414 1.00 0.00 H new ATOM 294 N ASN A 19 -1.299 14.496 1.530 1.00 0.00 N ATOM 295 CA ASN A 19 0.086 14.629 1.111 1.00 0.00 C ATOM 296 C ASN A 19 0.884 13.425 1.616 1.00 0.00 C ATOM 297 O ASN A 19 2.111 13.475 1.687 1.00 0.00 O ATOM 298 CB ASN A 19 0.719 15.894 1.695 1.00 0.00 C ATOM 299 CG ASN A 19 0.226 17.143 0.961 1.00 0.00 C ATOM 300 OD1 ASN A 19 0.786 17.570 -0.035 1.00 0.00 O ATOM 301 ND2 ASN A 19 -0.850 17.702 1.508 1.00 0.00 N ATOM 0 H ASN A 19 -1.429 14.047 2.437 1.00 0.00 H new ATOM 0 HA ASN A 19 0.106 14.685 0.023 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.476 15.971 2.755 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.805 15.829 1.621 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.256 18.540 1.093 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.269 17.292 2.343 1.00 0.00 H new ATOM 308 N LEU A 20 0.155 12.372 1.954 1.00 0.00 N ATOM 309 CA LEU A 20 0.780 11.157 2.450 1.00 0.00 C ATOM 310 C LEU A 20 0.236 9.956 1.674 1.00 0.00 C ATOM 311 O LEU A 20 -0.789 10.059 1.002 1.00 0.00 O ATOM 312 CB LEU A 20 0.601 11.043 3.965 1.00 0.00 C ATOM 313 CG LEU A 20 1.276 12.129 4.804 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.670 12.194 6.207 1.00 0.00 C ATOM 315 CD2 LEU A 20 2.793 11.928 4.843 1.00 0.00 C ATOM 0 H LEU A 20 -0.863 12.335 1.894 1.00 0.00 H new ATOM 0 HA LEU A 20 1.856 11.185 2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.466 11.052 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.985 10.074 4.284 1.00 0.00 H new ATOM 0 HG LEU A 20 1.091 13.092 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.168 12.974 6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.394 12.420 6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.803 11.234 6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.249 12.713 5.446 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.020 10.956 5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.192 11.971 3.830 1.00 0.00 H new ATOM 327 N CYS A 21 0.947 8.844 1.793 1.00 0.00 N ATOM 328 CA CYS A 21 0.548 7.624 1.111 1.00 0.00 C ATOM 329 C CYS A 21 0.273 6.552 2.167 1.00 0.00 C ATOM 330 O CYS A 21 1.113 6.294 3.028 1.00 0.00 O ATOM 331 CB CYS A 21 1.602 7.172 0.098 1.00 0.00 C ATOM 332 SG CYS A 21 1.793 8.270 -1.353 1.00 0.00 S ATOM 0 H CYS A 21 1.797 8.762 2.351 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.359 7.806 0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.563 7.094 0.606 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.344 6.172 -0.252 1.00 0.00 H new ATOM 337 N TYR A 22 -0.905 5.955 2.066 1.00 0.00 N ATOM 338 CA TYR A 22 -1.301 4.916 3.001 1.00 0.00 C ATOM 339 C TYR A 22 -1.272 3.539 2.336 1.00 0.00 C ATOM 340 O TYR A 22 -1.576 3.412 1.151 1.00 0.00 O ATOM 341 CB TYR A 22 -2.739 5.242 3.409 1.00 0.00 C ATOM 342 CG TYR A 22 -3.801 4.590 2.521 1.00 0.00 C ATOM 343 CD1 TYR A 22 -3.964 3.219 2.533 1.00 0.00 C ATOM 344 CD2 TYR A 22 -4.595 5.372 1.707 1.00 0.00 C ATOM 345 CE1 TYR A 22 -4.963 2.606 1.697 1.00 0.00 C ATOM 346 CE2 TYR A 22 -5.593 4.759 0.870 1.00 0.00 C ATOM 347 CZ TYR A 22 -5.728 3.406 0.907 1.00 0.00 C ATOM 348 OH TYR A 22 -6.672 2.826 0.117 1.00 0.00 O ATOM 0 H TYR A 22 -1.599 6.171 1.350 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.621 4.887 3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.895 4.922 4.439 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.876 6.323 3.387 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.342 2.607 3.169 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.468 6.444 1.698 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.102 1.535 1.697 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.220 5.359 0.228 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.143 3.518 -0.392 1.00 0.00 H new ATOM 358 N LYS A 23 -0.902 2.543 3.127 1.00 0.00 N ATOM 359 CA LYS A 23 -0.828 1.179 2.629 1.00 0.00 C ATOM 360 C LYS A 23 -1.445 0.231 3.659 1.00 0.00 C ATOM 361 O LYS A 23 -1.188 0.356 4.856 1.00 0.00 O ATOM 362 CB LYS A 23 0.611 0.824 2.251 1.00 0.00 C ATOM 363 CG LYS A 23 1.543 0.956 3.456 1.00 0.00 C ATOM 364 CD LYS A 23 2.667 1.955 3.174 1.00 0.00 C ATOM 365 CE LYS A 23 3.869 1.261 2.531 1.00 0.00 C ATOM 366 NZ LYS A 23 4.726 0.643 3.568 1.00 0.00 N ATOM 0 H LYS A 23 -0.650 2.653 4.109 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.408 1.076 1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.649 -0.196 1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.952 1.479 1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.973 1.281 4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.969 -0.017 3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.302 2.742 2.515 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.974 2.435 4.104 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.525 0.498 1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.448 1.983 1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.537 0.176 3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.069 1.378 4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.175 -0.060 4.100 1.00 0.00 H new ATOM 380 N MET A 24 -2.248 -0.696 3.157 1.00 0.00 N ATOM 381 CA MET A 24 -2.903 -1.665 4.018 1.00 0.00 C ATOM 382 C MET A 24 -2.420 -3.084 3.714 1.00 0.00 C ATOM 383 O MET A 24 -2.484 -3.535 2.571 1.00 0.00 O ATOM 384 CB MET A 24 -4.418 -1.587 3.815 1.00 0.00 C ATOM 385 CG MET A 24 -5.161 -2.264 4.968 1.00 0.00 C ATOM 386 SD MET A 24 -5.227 -4.027 4.700 1.00 0.00 S ATOM 387 CE MET A 24 -6.979 -4.305 4.897 1.00 0.00 C ATOM 0 H MET A 24 -2.460 -0.796 2.164 1.00 0.00 H new ATOM 0 HA MET A 24 -2.653 -1.430 5.053 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.726 -0.544 3.742 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.687 -2.065 2.873 1.00 0.00 H new ATOM 0 HG2 MET A 24 -4.658 -2.050 5.911 1.00 0.00 H new ATOM 0 HG3 MET A 24 -6.171 -1.862 5.047 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.161 -5.364 5.080 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.347 -3.722 5.741 1.00 0.00 H new ATOM 0 HE3 MET A 24 -7.500 -3.999 3.990 1.00 0.00 H new ATOM 397 N PHE A 25 -1.947 -3.750 4.758 1.00 0.00 N ATOM 398 CA PHE A 25 -1.452 -5.109 4.617 1.00 0.00 C ATOM 399 C PHE A 25 -2.023 -6.016 5.709 1.00 0.00 C ATOM 400 O PHE A 25 -2.560 -5.533 6.704 1.00 0.00 O ATOM 401 CB PHE A 25 0.069 -5.050 4.763 1.00 0.00 C ATOM 402 CG PHE A 25 0.743 -4.029 3.844 1.00 0.00 C ATOM 403 CD1 PHE A 25 0.269 -3.831 2.585 1.00 0.00 C ATOM 404 CD2 PHE A 25 1.817 -3.321 4.285 1.00 0.00 C ATOM 405 CE1 PHE A 25 0.895 -2.884 1.731 1.00 0.00 C ATOM 406 CE2 PHE A 25 2.443 -2.374 3.432 1.00 0.00 C ATOM 407 CZ PHE A 25 1.968 -2.176 2.173 1.00 0.00 C ATOM 0 H PHE A 25 -1.896 -3.374 5.705 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.751 -5.515 3.651 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.315 -4.811 5.797 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.482 -6.037 4.557 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.583 -4.394 2.234 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.194 -3.479 5.285 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.519 -2.727 0.731 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.296 -1.811 3.783 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.444 -1.456 1.524 1.00 0.00 H new ATOM 417 N MET A 26 -1.887 -7.315 5.486 1.00 0.00 N ATOM 418 CA MET A 26 -2.382 -8.294 6.439 1.00 0.00 C ATOM 419 C MET A 26 -1.251 -8.812 7.330 1.00 0.00 C ATOM 420 O MET A 26 -0.136 -9.033 6.859 1.00 0.00 O ATOM 421 CB MET A 26 -3.015 -9.465 5.685 1.00 0.00 C ATOM 422 CG MET A 26 -4.507 -9.221 5.446 1.00 0.00 C ATOM 423 SD MET A 26 -4.772 -8.647 3.777 1.00 0.00 S ATOM 424 CE MET A 26 -4.752 -10.205 2.907 1.00 0.00 C ATOM 0 H MET A 26 -1.441 -7.712 4.659 1.00 0.00 H new ATOM 0 HA MET A 26 -3.127 -7.813 7.073 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.508 -9.604 4.730 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.880 -10.385 6.254 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.066 -10.141 5.616 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.882 -8.484 6.157 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.905 -10.029 1.842 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.790 -10.695 3.060 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.549 -10.844 3.287 1.00 0.00 H new ATOM 434 N VAL A 27 -1.578 -8.992 8.601 1.00 0.00 N ATOM 435 CA VAL A 27 -0.604 -9.480 9.563 1.00 0.00 C ATOM 436 C VAL A 27 -0.239 -10.926 9.223 1.00 0.00 C ATOM 437 O VAL A 27 -0.637 -11.853 9.928 1.00 0.00 O ATOM 438 CB VAL A 27 -1.145 -9.318 10.985 1.00 0.00 C ATOM 439 CG1 VAL A 27 -2.334 -10.250 11.228 1.00 0.00 C ATOM 440 CG2 VAL A 27 -0.044 -9.552 12.021 1.00 0.00 C ATOM 0 H VAL A 27 -2.504 -8.809 8.987 1.00 0.00 H new ATOM 0 HA VAL A 27 0.312 -8.892 9.510 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.495 -8.292 11.095 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.700 -10.115 12.246 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.131 -10.015 10.522 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.020 -11.284 11.089 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.456 -9.431 13.023 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.351 -10.562 11.911 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.758 -8.830 11.869 1.00 0.00 H new ATOM 450 N ALA A 28 0.514 -11.075 8.143 1.00 0.00 N ATOM 451 CA ALA A 28 0.936 -12.393 7.701 1.00 0.00 C ATOM 452 C ALA A 28 1.995 -12.245 6.606 1.00 0.00 C ATOM 453 O ALA A 28 2.990 -12.968 6.597 1.00 0.00 O ATOM 454 CB ALA A 28 -0.282 -13.189 7.230 1.00 0.00 C ATOM 0 H ALA A 28 0.843 -10.304 7.561 1.00 0.00 H new ATOM 0 HA ALA A 28 1.388 -12.946 8.524 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.035 -14.178 6.899 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.990 -13.292 8.053 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.761 -12.665 6.403 1.00 0.00 H new ATOM 460 N ALA A 29 1.744 -11.302 5.710 1.00 0.00 N ATOM 461 CA ALA A 29 2.663 -11.049 4.613 1.00 0.00 C ATOM 462 C ALA A 29 2.918 -9.544 4.504 1.00 0.00 C ATOM 463 O ALA A 29 2.126 -8.819 3.904 1.00 0.00 O ATOM 464 CB ALA A 29 2.091 -11.639 3.322 1.00 0.00 C ATOM 0 H ALA A 29 0.918 -10.704 5.721 1.00 0.00 H new ATOM 0 HA ALA A 29 3.622 -11.533 4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.780 -11.449 2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.956 -12.714 3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.129 -11.174 3.104 1.00 0.00 H new ATOM 470 N PRO A 30 4.056 -9.109 5.108 1.00 0.00 N ATOM 471 CA PRO A 30 4.425 -7.704 5.085 1.00 0.00 C ATOM 472 C PRO A 30 4.960 -7.301 3.709 1.00 0.00 C ATOM 473 O PRO A 30 4.999 -6.117 3.377 1.00 0.00 O ATOM 474 CB PRO A 30 5.455 -7.549 6.192 1.00 0.00 C ATOM 475 CG PRO A 30 5.967 -8.951 6.484 1.00 0.00 C ATOM 476 CD PRO A 30 5.017 -9.940 5.827 1.00 0.00 C ATOM 0 HA PRO A 30 3.575 -7.043 5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.268 -6.893 5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.009 -7.103 7.081 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.978 -9.077 6.096 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.015 -9.124 7.559 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.548 -10.608 5.149 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.522 -10.566 6.569 1.00 0.00 H new ATOM 484 N HIS A 31 5.360 -8.308 2.947 1.00 0.00 N ATOM 485 CA HIS A 31 5.891 -8.073 1.615 1.00 0.00 C ATOM 486 C HIS A 31 4.798 -8.325 0.574 1.00 0.00 C ATOM 487 O HIS A 31 5.093 -8.617 -0.584 1.00 0.00 O ATOM 488 CB HIS A 31 7.145 -8.916 1.374 1.00 0.00 C ATOM 489 CG HIS A 31 7.882 -8.571 0.102 1.00 0.00 C ATOM 490 ND1 HIS A 31 8.507 -7.352 -0.095 1.00 0.00 N ATOM 491 CD2 HIS A 31 8.088 -9.297 -1.034 1.00 0.00 C ATOM 492 CE1 HIS A 31 9.060 -7.355 -1.299 1.00 0.00 C ATOM 493 NE2 HIS A 31 8.799 -8.561 -1.880 1.00 0.00 N ATOM 0 H HIS A 31 5.327 -9.288 3.226 1.00 0.00 H new ATOM 0 HA HIS A 31 6.200 -7.032 1.521 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.822 -8.791 2.219 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.863 -9.968 1.344 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.733 -10.301 -1.215 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.619 -6.545 -1.743 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.100 -8.850 -2.811 1.00 0.00 H new ATOM 501 N VAL A 32 3.558 -8.203 1.024 1.00 0.00 N ATOM 502 CA VAL A 32 2.419 -8.414 0.147 1.00 0.00 C ATOM 503 C VAL A 32 1.403 -7.289 0.358 1.00 0.00 C ATOM 504 O VAL A 32 0.675 -7.283 1.349 1.00 0.00 O ATOM 505 CB VAL A 32 1.828 -9.805 0.382 1.00 0.00 C ATOM 506 CG1 VAL A 32 0.490 -9.963 -0.344 1.00 0.00 C ATOM 507 CG2 VAL A 32 2.812 -10.898 -0.039 1.00 0.00 C ATOM 0 H VAL A 32 3.317 -7.961 1.985 1.00 0.00 H new ATOM 0 HA VAL A 32 2.730 -8.380 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 32 1.644 -9.914 1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.092 -10.961 -0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.214 -9.218 0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.638 -9.823 -1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.366 -11.877 0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.043 -10.791 -1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.729 -10.806 0.543 1.00 0.00 H new ATOM 517 N PRO A 33 1.387 -6.340 -0.616 1.00 0.00 N ATOM 518 CA PRO A 33 0.473 -5.212 -0.547 1.00 0.00 C ATOM 519 C PRO A 33 -0.954 -5.642 -0.894 1.00 0.00 C ATOM 520 O PRO A 33 -1.166 -6.401 -1.838 1.00 0.00 O ATOM 521 CB PRO A 33 1.037 -4.188 -1.517 1.00 0.00 C ATOM 522 CG PRO A 33 1.977 -4.955 -2.434 1.00 0.00 C ATOM 523 CD PRO A 33 2.235 -6.314 -1.804 1.00 0.00 C ATOM 0 HA PRO A 33 0.399 -4.791 0.456 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.240 -3.709 -2.086 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.568 -3.398 -0.986 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.535 -5.071 -3.424 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.912 -4.411 -2.564 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.981 -7.123 -2.489 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.286 -6.436 -1.543 1.00 0.00 H new ATOM 531 N VAL A 34 -1.897 -5.138 -0.111 1.00 0.00 N ATOM 532 CA VAL A 34 -3.297 -5.460 -0.323 1.00 0.00 C ATOM 533 C VAL A 34 -3.993 -4.273 -0.993 1.00 0.00 C ATOM 534 O VAL A 34 -4.534 -4.404 -2.090 1.00 0.00 O ATOM 535 CB VAL A 34 -3.948 -5.864 1.001 1.00 0.00 C ATOM 536 CG1 VAL A 34 -5.340 -6.457 0.770 1.00 0.00 C ATOM 537 CG2 VAL A 34 -3.058 -6.839 1.774 1.00 0.00 C ATOM 0 H VAL A 34 -1.718 -4.509 0.671 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.395 -6.315 -0.992 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.064 -4.964 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.780 -6.736 1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.974 -5.718 0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.259 -7.341 0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.544 -7.110 2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.896 -7.736 1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.099 -6.366 1.986 1.00 0.00 H new ATOM 547 N LYS A 35 -3.956 -3.141 -0.305 1.00 0.00 N ATOM 548 CA LYS A 35 -4.576 -1.932 -0.820 1.00 0.00 C ATOM 549 C LYS A 35 -3.559 -0.789 -0.789 1.00 0.00 C ATOM 550 O LYS A 35 -2.544 -0.875 -0.099 1.00 0.00 O ATOM 551 CB LYS A 35 -5.868 -1.626 -0.059 1.00 0.00 C ATOM 552 CG LYS A 35 -6.831 -2.814 -0.115 1.00 0.00 C ATOM 553 CD LYS A 35 -7.415 -3.112 1.267 1.00 0.00 C ATOM 554 CE LYS A 35 -8.471 -4.216 1.190 1.00 0.00 C ATOM 555 NZ LYS A 35 -9.700 -3.809 1.906 1.00 0.00 N ATOM 0 H LYS A 35 -3.506 -3.036 0.604 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.871 -2.069 -1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.636 -1.390 0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.346 -0.745 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.638 -2.600 -0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.308 -3.694 -0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.617 -3.414 1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.860 -2.207 1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.705 -4.431 0.147 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.077 -5.135 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.406 -4.570 1.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.475 -3.626 2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.084 -2.945 1.473 1.00 0.00 H new ATOM 569 N ARG A 36 -3.866 0.255 -1.544 1.00 0.00 N ATOM 570 CA ARG A 36 -2.992 1.413 -1.611 1.00 0.00 C ATOM 571 C ARG A 36 -3.766 2.635 -2.110 1.00 0.00 C ATOM 572 O ARG A 36 -4.501 2.549 -3.093 1.00 0.00 O ATOM 573 CB ARG A 36 -1.806 1.155 -2.542 1.00 0.00 C ATOM 574 CG ARG A 36 -1.017 -0.078 -2.096 1.00 0.00 C ATOM 575 CD ARG A 36 0.216 -0.289 -2.977 1.00 0.00 C ATOM 576 NE ARG A 36 0.033 -1.486 -3.827 1.00 0.00 N ATOM 577 CZ ARG A 36 1.006 -2.042 -4.561 1.00 0.00 C ATOM 578 NH1 ARG A 36 2.237 -1.513 -4.553 1.00 0.00 N ATOM 579 NH2 ARG A 36 0.748 -3.128 -5.303 1.00 0.00 N ATOM 0 H ARG A 36 -4.708 0.323 -2.115 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.616 1.602 -0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.164 1.013 -3.562 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.151 2.026 -2.552 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.710 0.039 -1.057 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.656 -0.960 -2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.381 0.589 -3.602 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.102 -0.408 -2.354 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.892 -1.915 -3.856 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.433 -0.687 -3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.978 -1.936 -5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.189 -3.531 -5.309 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.489 -3.551 -5.862 1.00 0.00 H new ATOM 593 N GLY A 37 -3.575 3.744 -1.410 1.00 0.00 N ATOM 594 CA GLY A 37 -4.246 4.981 -1.770 1.00 0.00 C ATOM 595 C GLY A 37 -3.583 6.182 -1.092 1.00 0.00 C ATOM 596 O GLY A 37 -2.520 6.049 -0.488 1.00 0.00 O ATOM 0 H GLY A 37 -2.965 3.811 -0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.222 5.111 -2.852 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.295 4.928 -1.479 1.00 0.00 H new ATOM 600 N CYS A 38 -4.239 7.327 -1.216 1.00 0.00 N ATOM 601 CA CYS A 38 -3.726 8.550 -0.622 1.00 0.00 C ATOM 602 C CYS A 38 -4.465 8.791 0.695 1.00 0.00 C ATOM 603 O CYS A 38 -5.517 8.201 0.938 1.00 0.00 O ATOM 604 CB CYS A 38 -3.856 9.739 -1.576 1.00 0.00 C ATOM 605 SG CYS A 38 -2.592 9.805 -2.897 1.00 0.00 S ATOM 0 H CYS A 38 -5.120 7.433 -1.719 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.660 8.442 -0.424 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.843 9.710 -2.038 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.803 10.660 -0.995 1.00 0.00 H new ATOM 610 N ILE A 39 -3.887 9.661 1.511 1.00 0.00 N ATOM 611 CA ILE A 39 -4.477 9.987 2.797 1.00 0.00 C ATOM 612 C ILE A 39 -3.860 11.285 3.322 1.00 0.00 C ATOM 613 O ILE A 39 -2.783 11.686 2.884 1.00 0.00 O ATOM 614 CB ILE A 39 -4.344 8.808 3.763 1.00 0.00 C ATOM 615 CG1 ILE A 39 -5.482 8.806 4.786 1.00 0.00 C ATOM 616 CG2 ILE A 39 -2.969 8.803 4.435 1.00 0.00 C ATOM 617 CD1 ILE A 39 -5.710 7.401 5.348 1.00 0.00 C ATOM 0 H ILE A 39 -3.016 10.150 1.305 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.548 10.162 2.691 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.426 7.885 3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.247 9.493 5.599 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.398 9.168 4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.900 7.955 5.117 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.193 8.721 3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.834 9.729 4.993 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.524 7.427 6.073 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.969 6.722 4.536 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.800 7.052 5.836 1.00 0.00 H new ATOM 629 N ASP A 40 -4.570 11.906 4.253 1.00 0.00 N ATOM 630 CA ASP A 40 -4.105 13.151 4.842 1.00 0.00 C ATOM 631 C ASP A 40 -3.608 12.882 6.264 1.00 0.00 C ATOM 632 O ASP A 40 -2.528 13.335 6.643 1.00 0.00 O ATOM 633 CB ASP A 40 -5.236 14.178 4.923 1.00 0.00 C ATOM 634 CG ASP A 40 -4.932 15.409 5.779 1.00 0.00 C ATOM 635 OD1 ASP A 40 -3.761 15.844 5.750 1.00 0.00 O ATOM 636 OD2 ASP A 40 -5.877 15.887 6.442 1.00 0.00 O ATOM 0 H ASP A 40 -5.463 11.571 4.614 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.306 13.544 4.214 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.480 14.508 3.913 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.124 13.687 5.321 1.00 0.00 H new ATOM 641 N VAL A 41 -4.418 12.148 7.011 1.00 0.00 N ATOM 642 CA VAL A 41 -4.073 11.814 8.383 1.00 0.00 C ATOM 643 C VAL A 41 -3.730 10.326 8.470 1.00 0.00 C ATOM 644 O VAL A 41 -4.461 9.484 7.950 1.00 0.00 O ATOM 645 CB VAL A 41 -5.211 12.221 9.322 1.00 0.00 C ATOM 646 CG1 VAL A 41 -5.663 13.656 9.046 1.00 0.00 C ATOM 647 CG2 VAL A 41 -6.385 11.246 9.215 1.00 0.00 C ATOM 0 H VAL A 41 -5.312 11.775 6.693 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.191 12.370 8.702 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.833 12.180 10.344 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.472 13.920 9.727 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.825 14.337 9.197 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.014 13.735 8.017 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.180 11.558 9.892 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.761 11.240 8.192 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.051 10.244 9.484 1.00 0.00 H new ATOM 657 N CYS A 42 -2.616 10.046 9.132 1.00 0.00 N ATOM 658 CA CYS A 42 -2.167 8.674 9.293 1.00 0.00 C ATOM 659 C CYS A 42 -2.950 8.045 10.448 1.00 0.00 C ATOM 660 O CYS A 42 -2.854 8.498 11.587 1.00 0.00 O ATOM 661 CB CYS A 42 -0.656 8.596 9.520 1.00 0.00 C ATOM 662 SG CYS A 42 0.037 6.903 9.502 1.00 0.00 S ATOM 0 H CYS A 42 -2.012 10.746 9.563 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.360 8.116 8.377 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.157 9.186 8.751 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.423 9.059 10.479 1.00 0.00 H new ATOM 667 N PRO A 43 -3.727 6.983 10.104 1.00 0.00 N ATOM 668 CA PRO A 43 -4.526 6.287 11.099 1.00 0.00 C ATOM 669 C PRO A 43 -3.648 5.402 11.986 1.00 0.00 C ATOM 670 O PRO A 43 -2.431 5.354 11.811 1.00 0.00 O ATOM 671 CB PRO A 43 -5.549 5.498 10.299 1.00 0.00 C ATOM 672 CG PRO A 43 -4.997 5.412 8.886 1.00 0.00 C ATOM 673 CD PRO A 43 -3.865 6.419 8.765 1.00 0.00 C ATOM 0 HA PRO A 43 -5.021 6.967 11.793 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.694 4.504 10.723 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -6.520 5.994 10.310 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.636 4.405 8.678 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.779 5.627 8.157 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.942 5.940 8.440 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.098 7.191 8.032 1.00 0.00 H new ATOM 681 N LYS A 44 -4.299 4.723 12.919 1.00 0.00 N ATOM 682 CA LYS A 44 -3.593 3.842 13.833 1.00 0.00 C ATOM 683 C LYS A 44 -3.567 2.427 13.253 1.00 0.00 C ATOM 684 O LYS A 44 -4.301 2.123 12.314 1.00 0.00 O ATOM 685 CB LYS A 44 -4.205 3.921 15.233 1.00 0.00 C ATOM 686 CG LYS A 44 -3.205 3.462 16.296 1.00 0.00 C ATOM 687 CD LYS A 44 -3.552 4.048 17.666 1.00 0.00 C ATOM 688 CE LYS A 44 -2.972 5.455 17.822 1.00 0.00 C ATOM 689 NZ LYS A 44 -1.550 5.388 18.225 1.00 0.00 N ATOM 0 H LYS A 44 -5.308 4.765 13.062 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.557 4.160 13.944 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.517 4.945 15.440 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.100 3.300 15.278 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.203 2.373 16.352 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.199 3.768 16.010 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.635 4.081 17.788 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.163 3.401 18.452 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.064 5.999 16.882 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.542 6.009 18.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.172 6.352 18.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.470 4.887 19.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.007 4.878 17.499 1.00 0.00 H new ATOM 703 N SER A 45 -2.713 1.598 13.836 1.00 0.00 N ATOM 704 CA SER A 45 -2.582 0.222 13.388 1.00 0.00 C ATOM 705 C SER A 45 -3.229 -0.723 14.403 1.00 0.00 C ATOM 706 O SER A 45 -3.476 -0.338 15.545 1.00 0.00 O ATOM 707 CB SER A 45 -1.113 -0.151 13.179 1.00 0.00 C ATOM 708 OG SER A 45 -0.601 0.364 11.953 1.00 0.00 O ATOM 0 H SER A 45 -2.105 1.853 14.614 1.00 0.00 H new ATOM 0 HA SER A 45 -3.095 0.124 12.431 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.520 0.232 14.009 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.010 -1.236 13.188 1.00 0.00 H new ATOM 0 HG SER A 45 0.312 0.692 12.092 1.00 0.00 H new ATOM 714 N SER A 46 -3.487 -1.941 13.949 1.00 0.00 N ATOM 715 CA SER A 46 -4.101 -2.943 14.803 1.00 0.00 C ATOM 716 C SER A 46 -3.277 -4.232 14.774 1.00 0.00 C ATOM 717 O SER A 46 -2.247 -4.299 14.104 1.00 0.00 O ATOM 718 CB SER A 46 -5.542 -3.225 14.373 1.00 0.00 C ATOM 719 OG SER A 46 -5.605 -3.828 13.083 1.00 0.00 O ATOM 0 H SER A 46 -3.282 -2.256 13.001 1.00 0.00 H new ATOM 0 HA SER A 46 -4.123 -2.556 15.822 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.017 -3.880 15.103 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.107 -2.293 14.366 1.00 0.00 H new ATOM 0 HG SER A 46 -4.766 -3.664 12.604 1.00 0.00 H new ATOM 725 N LEU A 47 -3.760 -5.222 15.509 1.00 0.00 N ATOM 726 CA LEU A 47 -3.081 -6.505 15.575 1.00 0.00 C ATOM 727 C LEU A 47 -3.485 -7.355 14.369 1.00 0.00 C ATOM 728 O LEU A 47 -2.872 -8.386 14.098 1.00 0.00 O ATOM 729 CB LEU A 47 -3.346 -7.182 16.922 1.00 0.00 C ATOM 730 CG LEU A 47 -2.601 -6.599 18.124 1.00 0.00 C ATOM 731 CD1 LEU A 47 -3.198 -5.252 18.538 1.00 0.00 C ATOM 732 CD2 LEU A 47 -2.572 -7.594 19.286 1.00 0.00 C ATOM 0 H LEU A 47 -4.614 -5.162 16.064 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.001 -6.368 15.520 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.416 -7.135 17.125 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.084 -8.236 16.834 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.567 -6.417 17.830 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.650 -4.859 19.395 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.124 -4.550 17.707 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.246 -5.386 18.808 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.037 -7.155 20.128 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.592 -7.830 19.588 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.066 -8.507 18.971 1.00 0.00 H new ATOM 744 N LEU A 48 -4.515 -6.891 13.677 1.00 0.00 N ATOM 745 CA LEU A 48 -5.009 -7.595 12.506 1.00 0.00 C ATOM 746 C LEU A 48 -4.389 -6.983 11.249 1.00 0.00 C ATOM 747 O LEU A 48 -3.565 -7.613 10.588 1.00 0.00 O ATOM 748 CB LEU A 48 -6.539 -7.608 12.494 1.00 0.00 C ATOM 749 CG LEU A 48 -7.194 -8.816 11.822 1.00 0.00 C ATOM 750 CD1 LEU A 48 -8.640 -8.988 12.292 1.00 0.00 C ATOM 751 CD2 LEU A 48 -7.095 -8.718 10.299 1.00 0.00 C ATOM 0 H LEU A 48 -5.021 -6.035 13.905 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.705 -8.641 12.534 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.891 -7.555 13.524 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.886 -6.705 11.992 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.649 -9.710 12.123 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.082 -9.854 11.799 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.656 -9.138 13.372 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.213 -8.095 12.041 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.568 -9.589 9.847 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.600 -7.814 9.959 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.046 -8.681 10.004 1.00 0.00 H new ATOM 763 N VAL A 49 -4.809 -5.761 10.955 1.00 0.00 N ATOM 764 CA VAL A 49 -4.305 -5.056 9.789 1.00 0.00 C ATOM 765 C VAL A 49 -3.216 -4.073 10.223 1.00 0.00 C ATOM 766 O VAL A 49 -3.253 -3.553 11.337 1.00 0.00 O ATOM 767 CB VAL A 49 -5.460 -4.379 9.047 1.00 0.00 C ATOM 768 CG1 VAL A 49 -4.947 -3.258 8.142 1.00 0.00 C ATOM 769 CG2 VAL A 49 -6.272 -5.401 8.249 1.00 0.00 C ATOM 0 H VAL A 49 -5.493 -5.241 11.505 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.850 -5.755 9.087 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.121 -3.933 9.790 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.787 -2.793 7.626 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.433 -2.510 8.745 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.255 -3.671 7.408 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.086 -4.894 7.731 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.626 -5.889 7.519 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.683 -6.149 8.927 1.00 0.00 H new ATOM 779 N LYS A 50 -2.272 -3.849 9.321 1.00 0.00 N ATOM 780 CA LYS A 50 -1.175 -2.937 9.597 1.00 0.00 C ATOM 781 C LYS A 50 -1.160 -1.829 8.542 1.00 0.00 C ATOM 782 O LYS A 50 -0.944 -2.095 7.360 1.00 0.00 O ATOM 783 CB LYS A 50 0.145 -3.704 9.701 1.00 0.00 C ATOM 784 CG LYS A 50 1.251 -2.817 10.276 1.00 0.00 C ATOM 785 CD LYS A 50 1.327 -2.952 11.798 1.00 0.00 C ATOM 786 CE LYS A 50 2.217 -1.864 12.401 1.00 0.00 C ATOM 787 NZ LYS A 50 3.624 -2.055 11.984 1.00 0.00 N ATOM 0 H LYS A 50 -2.244 -4.283 8.398 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.315 -2.455 10.564 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.011 -4.581 10.334 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.439 -4.065 8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.209 -3.092 9.835 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.064 -1.777 10.009 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.326 -2.885 12.223 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.719 -3.935 12.060 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.867 -0.882 12.083 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.147 -1.890 13.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.227 -1.360 12.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.933 -3.016 12.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.702 -1.923 10.955 1.00 0.00 H new ATOM 801 N TYR A 51 -1.393 -0.611 9.007 1.00 0.00 N ATOM 802 CA TYR A 51 -1.410 0.539 8.118 1.00 0.00 C ATOM 803 C TYR A 51 -0.144 1.382 8.289 1.00 0.00 C ATOM 804 O TYR A 51 0.077 1.967 9.348 1.00 0.00 O ATOM 805 CB TYR A 51 -2.624 1.374 8.531 1.00 0.00 C ATOM 806 CG TYR A 51 -3.913 1.004 7.794 1.00 0.00 C ATOM 807 CD1 TYR A 51 -4.112 1.430 6.496 1.00 0.00 C ATOM 808 CD2 TYR A 51 -4.876 0.245 8.426 1.00 0.00 C ATOM 809 CE1 TYR A 51 -5.325 1.082 5.803 1.00 0.00 C ATOM 810 CE2 TYR A 51 -6.089 -0.103 7.733 1.00 0.00 C ATOM 811 CZ TYR A 51 -6.254 0.333 6.455 1.00 0.00 C ATOM 812 OH TYR A 51 -7.399 0.004 5.800 1.00 0.00 O ATOM 0 H TYR A 51 -1.572 -0.395 9.988 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.458 0.219 7.077 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.784 1.258 9.603 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.405 2.427 8.353 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.358 2.024 6.001 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.720 -0.088 9.441 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.493 1.409 4.787 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.851 -0.697 8.217 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.729 -0.857 6.131 1.00 0.00 H new ATOM 822 N VAL A 52 0.652 1.417 7.231 1.00 0.00 N ATOM 823 CA VAL A 52 1.889 2.179 7.250 1.00 0.00 C ATOM 824 C VAL A 52 1.753 3.388 6.323 1.00 0.00 C ATOM 825 O VAL A 52 1.198 3.278 5.231 1.00 0.00 O ATOM 826 CB VAL A 52 3.067 1.273 6.884 1.00 0.00 C ATOM 827 CG1 VAL A 52 4.383 2.053 6.900 1.00 0.00 C ATOM 828 CG2 VAL A 52 3.136 0.060 7.813 1.00 0.00 C ATOM 0 H VAL A 52 0.465 0.930 6.355 1.00 0.00 H new ATOM 0 HA VAL A 52 2.088 2.559 8.252 1.00 0.00 H new ATOM 0 HB VAL A 52 2.906 0.908 5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.204 1.386 6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.332 2.868 6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.552 2.461 7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.982 -0.567 7.531 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.261 0.397 8.842 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.214 -0.515 7.729 1.00 0.00 H new ATOM 838 N CYS A 53 2.270 4.514 6.791 1.00 0.00 N ATOM 839 CA CYS A 53 2.214 5.743 6.018 1.00 0.00 C ATOM 840 C CYS A 53 3.646 6.191 5.722 1.00 0.00 C ATOM 841 O CYS A 53 4.556 5.933 6.509 1.00 0.00 O ATOM 842 CB CYS A 53 1.413 6.829 6.739 1.00 0.00 C ATOM 843 SG CYS A 53 -0.079 6.230 7.612 1.00 0.00 S ATOM 0 H CYS A 53 2.730 4.601 7.697 1.00 0.00 H new ATOM 0 HA CYS A 53 1.691 5.561 5.079 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.065 7.323 7.460 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.113 7.583 6.011 1.00 0.00 H new ATOM 848 N CYS A 54 3.802 6.854 4.586 1.00 0.00 N ATOM 849 CA CYS A 54 5.109 7.340 4.177 1.00 0.00 C ATOM 850 C CYS A 54 4.912 8.621 3.363 1.00 0.00 C ATOM 851 O CYS A 54 3.939 8.746 2.621 1.00 0.00 O ATOM 852 CB CYS A 54 5.887 6.281 3.393 1.00 0.00 C ATOM 853 SG CYS A 54 4.869 5.251 2.276 1.00 0.00 S ATOM 0 H CYS A 54 3.045 7.066 3.936 1.00 0.00 H new ATOM 0 HA CYS A 54 5.710 7.559 5.059 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.657 6.779 2.804 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.398 5.628 4.100 1.00 0.00 H new ATOM 858 N ASN A 55 5.851 9.541 3.530 1.00 0.00 N ATOM 859 CA ASN A 55 5.793 10.807 2.821 1.00 0.00 C ATOM 860 C ASN A 55 6.826 10.803 1.692 1.00 0.00 C ATOM 861 O ASN A 55 7.584 11.759 1.536 1.00 0.00 O ATOM 862 CB ASN A 55 6.117 11.976 3.753 1.00 0.00 C ATOM 863 CG ASN A 55 7.474 11.778 4.431 1.00 0.00 C ATOM 864 OD1 ASN A 55 8.508 12.203 3.943 1.00 0.00 O ATOM 865 ND2 ASN A 55 7.413 11.109 5.579 1.00 0.00 N ATOM 0 H ASN A 55 6.657 9.434 4.147 1.00 0.00 H new ATOM 0 HA ASN A 55 4.783 10.927 2.429 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.122 12.907 3.186 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.338 12.068 4.510 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.266 10.924 6.107 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.514 10.781 5.931 1.00 0.00 H new ATOM 872 N THR A 56 6.822 9.716 0.934 1.00 0.00 N ATOM 873 CA THR A 56 7.749 9.575 -0.176 1.00 0.00 C ATOM 874 C THR A 56 7.006 9.135 -1.439 1.00 0.00 C ATOM 875 O THR A 56 5.971 8.477 -1.356 1.00 0.00 O ATOM 876 CB THR A 56 8.852 8.603 0.250 1.00 0.00 C ATOM 877 OG1 THR A 56 8.207 7.729 1.173 1.00 0.00 O ATOM 878 CG2 THR A 56 9.943 9.283 1.080 1.00 0.00 C ATOM 0 H THR A 56 6.192 8.925 1.067 1.00 0.00 H new ATOM 0 HA THR A 56 8.214 10.528 -0.426 1.00 0.00 H new ATOM 0 HB THR A 56 9.299 8.150 -0.635 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.850 7.065 1.498 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.700 8.549 1.356 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.404 10.078 0.494 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.503 9.707 1.982 1.00 0.00 H new ATOM 886 N ASP A 57 7.565 9.516 -2.578 1.00 0.00 N ATOM 887 CA ASP A 57 6.968 9.169 -3.857 1.00 0.00 C ATOM 888 C ASP A 57 7.097 7.661 -4.082 1.00 0.00 C ATOM 889 O ASP A 57 8.114 7.063 -3.736 1.00 0.00 O ATOM 890 CB ASP A 57 7.680 9.882 -5.008 1.00 0.00 C ATOM 891 CG ASP A 57 7.549 11.406 -5.005 1.00 0.00 C ATOM 892 OD1 ASP A 57 6.448 11.882 -5.358 1.00 0.00 O ATOM 893 OD2 ASP A 57 8.553 12.061 -4.650 1.00 0.00 O ATOM 0 H ASP A 57 8.425 10.061 -2.642 1.00 0.00 H new ATOM 0 HA ASP A 57 5.922 9.475 -3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.738 9.623 -4.976 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.287 9.501 -5.950 1.00 0.00 H new ATOM 898 N LYS A 58 6.051 7.091 -4.662 1.00 0.00 N ATOM 899 CA LYS A 58 6.034 5.664 -4.938 1.00 0.00 C ATOM 900 C LYS A 58 6.613 4.911 -3.739 1.00 0.00 C ATOM 901 O LYS A 58 7.524 4.099 -3.893 1.00 0.00 O ATOM 902 CB LYS A 58 6.749 5.365 -6.257 1.00 0.00 C ATOM 903 CG LYS A 58 8.186 5.890 -6.232 1.00 0.00 C ATOM 904 CD LYS A 58 8.958 5.434 -7.472 1.00 0.00 C ATOM 905 CE LYS A 58 10.424 5.863 -7.394 1.00 0.00 C ATOM 906 NZ LYS A 58 10.539 7.336 -7.491 1.00 0.00 N ATOM 0 H LYS A 58 5.209 7.591 -4.948 1.00 0.00 H new ATOM 0 HA LYS A 58 5.011 5.313 -5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.754 4.290 -6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.205 5.824 -7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.178 6.979 -6.184 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.691 5.535 -5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.897 4.350 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.499 5.856 -8.366 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.860 5.519 -6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.990 5.394 -8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.541 7.601 -7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.023 7.670 -8.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.134 7.773 -6.639 1.00 0.00 H new ATOM 920 N CYS A 59 6.061 5.206 -2.572 1.00 0.00 N ATOM 921 CA CYS A 59 6.511 4.566 -1.347 1.00 0.00 C ATOM 922 C CYS A 59 5.554 3.417 -1.025 1.00 0.00 C ATOM 923 O CYS A 59 5.990 2.317 -0.690 1.00 0.00 O ATOM 924 CB CYS A 59 6.615 5.564 -0.192 1.00 0.00 C ATOM 925 SG CYS A 59 5.009 6.141 0.469 1.00 0.00 S ATOM 0 H CYS A 59 5.306 5.880 -2.448 1.00 0.00 H new ATOM 0 HA CYS A 59 7.517 4.170 -1.489 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.181 5.104 0.618 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.186 6.430 -0.528 1.00 0.00 H new ATOM 930 N ASN A 60 4.267 3.713 -1.137 1.00 0.00 N ATOM 931 CA ASN A 60 3.244 2.718 -0.862 1.00 0.00 C ATOM 932 C ASN A 60 3.087 1.804 -2.078 1.00 0.00 C ATOM 933 O ASN A 60 3.941 0.956 -2.336 1.00 0.00 O ATOM 934 CB ASN A 60 1.892 3.380 -0.590 1.00 0.00 C ATOM 935 CG ASN A 60 1.413 4.171 -1.809 1.00 0.00 C ATOM 936 OD1 ASN A 60 2.167 4.472 -2.721 1.00 0.00 O ATOM 937 ND2 ASN A 60 0.123 4.489 -1.775 1.00 0.00 N ATOM 0 H ASN A 60 3.910 4.627 -1.414 1.00 0.00 H new ATOM 0 HA ASN A 60 3.552 2.152 0.017 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.155 2.619 -0.334 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.975 4.045 0.270 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.293 5.016 -2.543 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.451 4.206 -0.981 1.00 0.00 H new