USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 448 hydrogens (4 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+ 156:sc= 0.00407 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -158:sc= 0.155 (180deg=0.0134) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=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 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.024 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 31 HIS : no HD1:sc= -0.0223 X(o=-0.022,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= 0.0219 (180deg=0.0216) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0525 USER MOD Single : A 46 SER OG : rot -36:sc= 0.689 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.559 USER MOD Single : A 55 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.43!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -2.15 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.98 K(o=-0.98,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -12.258 7.658 -0.899 1.00 0.00 N ATOM 2 CA LEU A 1 -11.668 6.481 -1.514 1.00 0.00 C ATOM 3 C LEU A 1 -11.954 5.257 -0.642 1.00 0.00 C ATOM 4 O LEU A 1 -11.775 5.301 0.574 1.00 0.00 O ATOM 5 CB LEU A 1 -10.180 6.708 -1.787 1.00 0.00 C ATOM 6 CG LEU A 1 -9.813 7.103 -3.218 1.00 0.00 C ATOM 7 CD1 LEU A 1 -8.519 7.920 -3.247 1.00 0.00 C ATOM 8 CD2 LEU A 1 -9.734 5.873 -4.124 1.00 0.00 C ATOM 0 H1 LEU A 1 -11.756 8.509 -1.225 1.00 0.00 H new ATOM 0 H2 LEU A 1 -13.261 7.724 -1.167 1.00 0.00 H new ATOM 0 H3 LEU A 1 -12.180 7.585 0.136 1.00 0.00 H new ATOM 0 HA LEU A 1 -12.121 6.292 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -9.822 7.487 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -9.641 5.795 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 1 -10.606 7.741 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -8.281 8.188 -4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -8.648 8.827 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.705 7.328 -2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -9.471 6.183 -5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.974 5.190 -3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -10.700 5.369 -4.138 1.00 0.00 H new ATOM 18 N LYS A 2 -12.394 4.193 -1.297 1.00 0.00 N ATOM 19 CA LYS A 2 -12.706 2.959 -0.596 1.00 0.00 C ATOM 20 C LYS A 2 -11.719 1.871 -1.023 1.00 0.00 C ATOM 21 O LYS A 2 -11.844 1.305 -2.108 1.00 0.00 O ATOM 22 CB LYS A 2 -14.172 2.577 -0.811 1.00 0.00 C ATOM 23 CG LYS A 2 -14.429 2.183 -2.267 1.00 0.00 C ATOM 24 CD LYS A 2 -15.791 2.693 -2.741 1.00 0.00 C ATOM 25 CE LYS A 2 -16.104 2.191 -4.152 1.00 0.00 C ATOM 26 NZ LYS A 2 -16.358 3.329 -5.063 1.00 0.00 N ATOM 0 H LYS A 2 -12.542 4.160 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.589 3.092 0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.435 1.748 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.813 3.415 -0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.643 2.591 -2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.388 1.098 -2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.568 2.360 -2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.800 3.783 -2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.270 1.597 -4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.975 1.537 -4.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.915 3.003 -5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.886 4.068 -4.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.452 3.717 -5.395 1.00 0.00 H new ATOM 39 N CYS A 3 -10.759 1.611 -0.148 1.00 0.00 N ATOM 40 CA CYS A 3 -9.751 0.601 -0.420 1.00 0.00 C ATOM 41 C CYS A 3 -10.021 -0.604 0.483 1.00 0.00 C ATOM 42 O CYS A 3 -10.947 -0.582 1.292 1.00 0.00 O ATOM 43 CB CYS A 3 -8.335 1.149 -0.231 1.00 0.00 C ATOM 44 SG CYS A 3 -7.642 2.006 -1.692 1.00 0.00 S ATOM 0 H CYS A 3 -10.658 2.083 0.751 1.00 0.00 H new ATOM 0 HA CYS A 3 -9.815 0.293 -1.464 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.338 1.841 0.611 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.674 0.324 0.036 1.00 0.00 H new ATOM 49 N LYS A 4 -9.196 -1.627 0.314 1.00 0.00 N ATOM 50 CA LYS A 4 -9.335 -2.839 1.103 1.00 0.00 C ATOM 51 C LYS A 4 -8.460 -2.731 2.353 1.00 0.00 C ATOM 52 O LYS A 4 -7.426 -2.063 2.336 1.00 0.00 O ATOM 53 CB LYS A 4 -9.037 -4.072 0.248 1.00 0.00 C ATOM 54 CG LYS A 4 -10.285 -4.529 -0.509 1.00 0.00 C ATOM 55 CD LYS A 4 -11.021 -5.628 0.259 1.00 0.00 C ATOM 56 CE LYS A 4 -12.534 -5.517 0.061 1.00 0.00 C ATOM 57 NZ LYS A 4 -13.083 -6.786 -0.466 1.00 0.00 N ATOM 0 H LYS A 4 -8.429 -1.641 -0.358 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.364 -2.957 1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.241 -3.844 -0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.676 -4.881 0.883 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.951 -3.680 -0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.002 -4.897 -1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.677 -6.605 -0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.783 -5.556 1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.014 -5.272 1.009 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.758 -4.703 -0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.111 -6.693 -0.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.638 -7.003 -1.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.886 -7.555 0.206 1.00 0.00 H new ATOM 70 N LYS A 5 -8.905 -3.397 3.408 1.00 0.00 N ATOM 71 CA LYS A 5 -8.175 -3.384 4.664 1.00 0.00 C ATOM 72 C LYS A 5 -7.071 -4.442 4.619 1.00 0.00 C ATOM 73 O LYS A 5 -6.812 -5.029 3.569 1.00 0.00 O ATOM 74 CB LYS A 5 -9.136 -3.549 5.844 1.00 0.00 C ATOM 75 CG LYS A 5 -9.896 -2.250 6.117 1.00 0.00 C ATOM 76 CD LYS A 5 -9.577 -1.710 7.513 1.00 0.00 C ATOM 77 CE LYS A 5 -8.609 -0.528 7.435 1.00 0.00 C ATOM 78 NZ LYS A 5 -8.240 -0.071 8.793 1.00 0.00 N ATOM 0 H LYS A 5 -9.762 -3.949 3.419 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.688 -2.420 4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.843 -4.351 5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.579 -3.842 6.734 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.632 -1.505 5.366 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.968 -2.426 6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.498 -1.399 8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.142 -2.502 8.122 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.713 -0.819 6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.069 0.291 6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.583 0.732 8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.096 0.226 9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.782 -0.849 9.309 1.00 0.00 H new ATOM 91 N LEU A 6 -6.450 -4.654 5.770 1.00 0.00 N ATOM 92 CA LEU A 6 -5.379 -5.631 5.874 1.00 0.00 C ATOM 93 C LEU A 6 -5.815 -6.932 5.198 1.00 0.00 C ATOM 94 O LEU A 6 -5.272 -7.309 4.160 1.00 0.00 O ATOM 95 CB LEU A 6 -4.956 -5.808 7.333 1.00 0.00 C ATOM 96 CG LEU A 6 -3.853 -4.871 7.830 1.00 0.00 C ATOM 97 CD1 LEU A 6 -4.448 -3.650 8.534 1.00 0.00 C ATOM 98 CD2 LEU A 6 -2.859 -5.619 8.721 1.00 0.00 C ATOM 0 H LEU A 6 -6.668 -4.166 6.639 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.490 -5.280 5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.834 -5.671 7.964 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.622 -6.836 7.471 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.299 -4.506 6.965 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.643 -3.000 8.878 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.084 -3.103 7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.041 -3.976 9.388 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.085 -4.930 9.061 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.382 -6.031 9.584 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.400 -6.429 8.154 1.00 0.00 H new ATOM 108 N VAL A 7 -6.791 -7.584 5.813 1.00 0.00 N ATOM 109 CA VAL A 7 -7.306 -8.835 5.283 1.00 0.00 C ATOM 110 C VAL A 7 -8.382 -8.537 4.237 1.00 0.00 C ATOM 111 O VAL A 7 -9.211 -7.649 4.430 1.00 0.00 O ATOM 112 CB VAL A 7 -7.811 -9.718 6.426 1.00 0.00 C ATOM 113 CG1 VAL A 7 -8.373 -11.038 5.892 1.00 0.00 C ATOM 114 CG2 VAL A 7 -6.707 -9.968 7.455 1.00 0.00 C ATOM 0 H VAL A 7 -7.239 -7.269 6.674 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.514 -9.393 4.784 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.621 -9.187 6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.725 -11.647 6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.203 -10.833 5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.592 -11.575 5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.093 -10.598 8.256 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.867 -10.468 6.973 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.374 -9.017 7.870 1.00 0.00 H new ATOM 122 N PRO A 8 -8.333 -9.316 3.124 1.00 0.00 N ATOM 123 CA PRO A 8 -9.293 -9.145 2.047 1.00 0.00 C ATOM 124 C PRO A 8 -10.657 -9.721 2.432 1.00 0.00 C ATOM 125 O PRO A 8 -11.212 -10.547 1.710 1.00 0.00 O ATOM 126 CB PRO A 8 -8.670 -9.843 0.849 1.00 0.00 C ATOM 127 CG PRO A 8 -7.610 -10.774 1.415 1.00 0.00 C ATOM 128 CD PRO A 8 -7.365 -10.378 2.862 1.00 0.00 C ATOM 0 HA PRO A 8 -9.490 -8.097 1.822 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.420 -10.400 0.288 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.229 -9.121 0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.941 -11.811 1.354 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.689 -10.699 0.838 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.512 -11.223 3.534 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.343 -10.028 3.009 1.00 0.00 H new ATOM 136 N LEU A 9 -11.158 -9.261 3.569 1.00 0.00 N ATOM 137 CA LEU A 9 -12.447 -9.720 4.059 1.00 0.00 C ATOM 138 C LEU A 9 -13.420 -8.540 4.105 1.00 0.00 C ATOM 139 O LEU A 9 -14.609 -8.701 3.834 1.00 0.00 O ATOM 140 CB LEU A 9 -12.286 -10.437 5.401 1.00 0.00 C ATOM 141 CG LEU A 9 -12.005 -11.939 5.330 1.00 0.00 C ATOM 142 CD1 LEU A 9 -11.679 -12.502 6.714 1.00 0.00 C ATOM 143 CD2 LEU A 9 -13.166 -12.683 4.667 1.00 0.00 C ATOM 0 H LEU A 9 -10.695 -8.575 4.165 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.872 -10.458 3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.473 -9.961 5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.195 -10.285 5.983 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.125 -12.093 4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.483 -13.571 6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.797 -12.000 7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.524 -12.336 7.383 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.941 -13.749 4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.077 -12.525 5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.309 -12.306 3.654 1.00 0.00 H new ATOM 153 N PHE A 10 -12.878 -7.381 4.449 1.00 0.00 N ATOM 154 CA PHE A 10 -13.684 -6.175 4.534 1.00 0.00 C ATOM 155 C PHE A 10 -12.959 -4.986 3.900 1.00 0.00 C ATOM 156 O PHE A 10 -11.751 -5.039 3.674 1.00 0.00 O ATOM 157 CB PHE A 10 -13.905 -5.888 6.020 1.00 0.00 C ATOM 158 CG PHE A 10 -14.282 -7.122 6.843 1.00 0.00 C ATOM 159 CD1 PHE A 10 -13.308 -7.925 7.348 1.00 0.00 C ATOM 160 CD2 PHE A 10 -15.591 -7.415 7.068 1.00 0.00 C ATOM 161 CE1 PHE A 10 -13.658 -9.071 8.111 1.00 0.00 C ATOM 162 CE2 PHE A 10 -15.941 -8.561 7.831 1.00 0.00 C ATOM 163 CZ PHE A 10 -14.967 -9.364 8.336 1.00 0.00 C ATOM 0 H PHE A 10 -11.891 -7.251 4.672 1.00 0.00 H new ATOM 0 HA PHE A 10 -14.625 -6.318 4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -12.996 -5.451 6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -14.693 -5.141 6.122 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -12.269 -7.692 7.169 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -16.364 -6.777 6.667 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -12.885 -9.709 8.512 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -16.980 -8.794 8.010 1.00 0.00 H new ATOM 0 HZ PHE A 10 -15.233 -10.235 8.916 1.00 0.00 H new ATOM 173 N SER A 11 -13.727 -3.941 3.630 1.00 0.00 N ATOM 174 CA SER A 11 -13.174 -2.741 3.026 1.00 0.00 C ATOM 175 C SER A 11 -13.484 -1.524 3.900 1.00 0.00 C ATOM 176 O SER A 11 -14.476 -1.515 4.628 1.00 0.00 O ATOM 177 CB SER A 11 -13.721 -2.532 1.613 1.00 0.00 C ATOM 178 OG SER A 11 -15.138 -2.675 1.562 1.00 0.00 O ATOM 0 H SER A 11 -14.729 -3.900 3.819 1.00 0.00 H new ATOM 0 HA SER A 11 -12.093 -2.863 2.953 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.444 -1.538 1.260 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.260 -3.251 0.936 1.00 0.00 H new ATOM 0 HG SER A 11 -15.448 -2.532 0.643 1.00 0.00 H new ATOM 184 N LYS A 12 -12.617 -0.527 3.800 1.00 0.00 N ATOM 185 CA LYS A 12 -12.786 0.692 4.573 1.00 0.00 C ATOM 186 C LYS A 12 -12.354 1.891 3.727 1.00 0.00 C ATOM 187 O LYS A 12 -11.629 1.734 2.745 1.00 0.00 O ATOM 188 CB LYS A 12 -12.051 0.585 5.910 1.00 0.00 C ATOM 189 CG LYS A 12 -12.980 0.928 7.076 1.00 0.00 C ATOM 190 CD LYS A 12 -13.543 -0.341 7.719 1.00 0.00 C ATOM 191 CE LYS A 12 -13.613 -0.200 9.241 1.00 0.00 C ATOM 192 NZ LYS A 12 -15.022 -0.169 9.695 1.00 0.00 N ATOM 0 H LYS A 12 -11.795 -0.538 3.196 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.836 0.841 4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.662 -0.426 6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.194 1.259 5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.435 1.507 7.822 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.799 1.554 6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.538 -0.543 7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.917 -1.194 7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.091 -1.032 9.714 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.105 0.713 9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.051 -0.073 10.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.510 0.639 9.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.496 -1.051 9.416 1.00 0.00 H new ATOM 205 N THR A 13 -12.815 3.063 4.138 1.00 0.00 N ATOM 206 CA THR A 13 -12.485 4.288 3.431 1.00 0.00 C ATOM 207 C THR A 13 -11.363 5.036 4.154 1.00 0.00 C ATOM 208 O THR A 13 -11.408 5.203 5.371 1.00 0.00 O ATOM 209 CB THR A 13 -13.767 5.110 3.285 1.00 0.00 C ATOM 210 OG1 THR A 13 -14.577 4.337 2.404 1.00 0.00 O ATOM 211 CG2 THR A 13 -13.539 6.421 2.528 1.00 0.00 C ATOM 0 H THR A 13 -13.415 3.190 4.953 1.00 0.00 H new ATOM 0 HA THR A 13 -12.101 4.077 2.433 1.00 0.00 H new ATOM 0 HB THR A 13 -14.173 5.327 4.273 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.430 4.797 2.256 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.480 6.966 2.452 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.810 7.029 3.064 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.164 6.203 1.528 1.00 0.00 H new ATOM 218 N CYS A 14 -10.382 5.465 3.373 1.00 0.00 N ATOM 219 CA CYS A 14 -9.250 6.190 3.924 1.00 0.00 C ATOM 220 C CYS A 14 -9.690 7.630 4.197 1.00 0.00 C ATOM 221 O CYS A 14 -10.002 8.375 3.270 1.00 0.00 O ATOM 222 CB CYS A 14 -8.035 6.131 2.996 1.00 0.00 C ATOM 223 SG CYS A 14 -7.828 4.548 2.102 1.00 0.00 S ATOM 0 H CYS A 14 -10.348 5.324 2.363 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.935 5.724 4.857 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.114 6.937 2.266 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.137 6.320 3.584 1.00 0.00 H new ATOM 228 N PRO A 15 -9.700 7.988 5.509 1.00 0.00 N ATOM 229 CA PRO A 15 -10.096 9.325 5.917 1.00 0.00 C ATOM 230 C PRO A 15 -8.992 10.340 5.613 1.00 0.00 C ATOM 231 O PRO A 15 -7.890 9.964 5.219 1.00 0.00 O ATOM 232 CB PRO A 15 -10.404 9.209 7.401 1.00 0.00 C ATOM 233 CG PRO A 15 -9.727 7.931 7.868 1.00 0.00 C ATOM 234 CD PRO A 15 -9.336 7.132 6.635 1.00 0.00 C ATOM 0 HA PRO A 15 -10.966 9.691 5.371 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.026 10.073 7.947 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.479 9.167 7.575 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.847 8.163 8.467 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.400 7.352 8.500 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.270 6.905 6.632 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.865 6.180 6.596 1.00 0.00 H new ATOM 242 N ALA A 16 -9.328 11.607 5.808 1.00 0.00 N ATOM 243 CA ALA A 16 -8.379 12.679 5.560 1.00 0.00 C ATOM 244 C ALA A 16 -6.999 12.263 6.074 1.00 0.00 C ATOM 245 O ALA A 16 -6.893 11.578 7.090 1.00 0.00 O ATOM 246 CB ALA A 16 -8.881 13.968 6.215 1.00 0.00 C ATOM 0 H ALA A 16 -10.244 11.915 6.135 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.288 12.871 4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.169 14.772 6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.850 14.237 5.794 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.982 13.815 7.289 1.00 0.00 H new ATOM 251 N GLY A 17 -5.978 12.695 5.349 1.00 0.00 N ATOM 252 CA GLY A 17 -4.610 12.375 5.720 1.00 0.00 C ATOM 253 C GLY A 17 -4.009 11.345 4.761 1.00 0.00 C ATOM 254 O GLY A 17 -2.936 11.564 4.201 1.00 0.00 O ATOM 0 H GLY A 17 -6.070 13.263 4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.005 13.282 5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.587 11.986 6.738 1.00 0.00 H new ATOM 258 N LYS A 18 -4.726 10.243 4.602 1.00 0.00 N ATOM 259 CA LYS A 18 -4.277 9.178 3.722 1.00 0.00 C ATOM 260 C LYS A 18 -5.117 9.191 2.443 1.00 0.00 C ATOM 261 O LYS A 18 -6.175 8.567 2.384 1.00 0.00 O ATOM 262 CB LYS A 18 -4.293 7.834 4.454 1.00 0.00 C ATOM 263 CG LYS A 18 -5.528 7.713 5.350 1.00 0.00 C ATOM 264 CD LYS A 18 -5.240 8.245 6.755 1.00 0.00 C ATOM 265 CE LYS A 18 -5.473 7.162 7.810 1.00 0.00 C ATOM 266 NZ LYS A 18 -4.233 6.909 8.577 1.00 0.00 N ATOM 0 H LYS A 18 -5.616 10.064 5.068 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.241 9.341 3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.284 7.020 3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.390 7.733 5.057 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.357 8.268 4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.838 6.670 5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.210 8.596 6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.880 9.102 6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.269 7.471 8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.803 6.242 7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.409 6.171 9.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.483 6.593 7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.934 7.784 9.053 1.00 0.00 H new ATOM 279 N ASN A 19 -4.614 9.910 1.450 1.00 0.00 N ATOM 280 CA ASN A 19 -5.305 10.013 0.176 1.00 0.00 C ATOM 281 C ASN A 19 -4.716 8.995 -0.802 1.00 0.00 C ATOM 282 O ASN A 19 -5.063 8.990 -1.983 1.00 0.00 O ATOM 283 CB ASN A 19 -5.134 11.407 -0.432 1.00 0.00 C ATOM 284 CG ASN A 19 -5.994 12.435 0.304 1.00 0.00 C ATOM 285 OD1 ASN A 19 -5.697 12.853 1.411 1.00 0.00 O ATOM 286 ND2 ASN A 19 -7.075 12.819 -0.371 1.00 0.00 N ATOM 0 H ASN A 19 -3.736 10.427 1.502 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.364 9.823 0.350 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.086 11.703 -0.383 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.410 11.384 -1.486 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.714 13.503 0.035 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.265 12.429 -1.294 1.00 0.00 H new ATOM 293 N LEU A 20 -3.836 8.156 -0.276 1.00 0.00 N ATOM 294 CA LEU A 20 -3.196 7.136 -1.088 1.00 0.00 C ATOM 295 C LEU A 20 -3.141 5.824 -0.301 1.00 0.00 C ATOM 296 O LEU A 20 -2.712 5.805 0.852 1.00 0.00 O ATOM 297 CB LEU A 20 -1.828 7.618 -1.574 1.00 0.00 C ATOM 298 CG LEU A 20 -1.825 8.912 -2.392 1.00 0.00 C ATOM 299 CD1 LEU A 20 -0.958 9.981 -1.724 1.00 0.00 C ATOM 300 CD2 LEU A 20 -1.396 8.646 -3.836 1.00 0.00 C ATOM 0 H LEU A 20 -3.551 8.162 0.703 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.780 6.945 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.185 7.759 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.380 6.829 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.844 9.298 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.973 10.890 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.349 10.197 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.067 9.618 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.402 9.581 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.391 8.224 -3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.089 7.942 -4.298 1.00 0.00 H new ATOM 310 N CYS A 21 -3.582 4.760 -0.956 1.00 0.00 N ATOM 311 CA CYS A 21 -3.588 3.448 -0.332 1.00 0.00 C ATOM 312 C CYS A 21 -2.216 2.806 -0.548 1.00 0.00 C ATOM 313 O CYS A 21 -1.623 2.945 -1.617 1.00 0.00 O ATOM 314 CB CYS A 21 -4.719 2.570 -0.872 1.00 0.00 C ATOM 315 SG CYS A 21 -6.380 3.336 -0.811 1.00 0.00 S ATOM 0 H CYS A 21 -3.937 4.780 -1.912 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.775 3.552 0.737 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.494 2.306 -1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.742 1.640 -0.303 1.00 0.00 H new ATOM 320 N TYR A 22 -1.751 2.118 0.484 1.00 0.00 N ATOM 321 CA TYR A 22 -0.460 1.455 0.421 1.00 0.00 C ATOM 322 C TYR A 22 -0.604 -0.050 0.652 1.00 0.00 C ATOM 323 O TYR A 22 -1.564 -0.496 1.279 1.00 0.00 O ATOM 324 CB TYR A 22 0.378 2.054 1.552 1.00 0.00 C ATOM 325 CG TYR A 22 -0.001 1.546 2.945 1.00 0.00 C ATOM 326 CD1 TYR A 22 0.539 0.368 3.420 1.00 0.00 C ATOM 327 CD2 TYR A 22 -0.884 2.265 3.725 1.00 0.00 C ATOM 328 CE1 TYR A 22 0.181 -0.110 4.730 1.00 0.00 C ATOM 329 CE2 TYR A 22 -1.241 1.787 5.035 1.00 0.00 C ATOM 330 CZ TYR A 22 -0.691 0.623 5.473 1.00 0.00 C ATOM 331 OH TYR A 22 -1.029 0.171 6.711 1.00 0.00 O ATOM 0 H TYR A 22 -2.245 2.005 1.369 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.004 1.598 -0.559 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.429 1.831 1.369 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.274 3.139 1.532 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.230 -0.195 2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.307 3.186 3.352 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.596 -1.030 5.114 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.930 2.340 5.656 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.659 0.796 7.127 1.00 0.00 H new ATOM 341 N LYS A 23 0.364 -0.792 0.134 1.00 0.00 N ATOM 342 CA LYS A 23 0.356 -2.238 0.276 1.00 0.00 C ATOM 343 C LYS A 23 1.778 -2.726 0.561 1.00 0.00 C ATOM 344 O LYS A 23 2.691 -2.483 -0.227 1.00 0.00 O ATOM 345 CB LYS A 23 -0.285 -2.894 -0.949 1.00 0.00 C ATOM 346 CG LYS A 23 0.617 -2.759 -2.178 1.00 0.00 C ATOM 347 CD LYS A 23 -0.202 -2.413 -3.423 1.00 0.00 C ATOM 348 CE LYS A 23 -0.460 -3.659 -4.272 1.00 0.00 C ATOM 349 NZ LYS A 23 -0.156 -3.389 -5.695 1.00 0.00 N ATOM 0 H LYS A 23 1.159 -0.419 -0.385 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.260 -2.533 1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.473 -3.948 -0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.251 -2.431 -1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.364 -1.984 -2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.157 -3.691 -2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.152 -1.968 -3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.328 -1.668 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.155 -4.484 -3.913 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.500 -3.968 -4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.337 -4.245 -6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.760 -2.616 -6.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.843 -3.116 -5.791 1.00 0.00 H new ATOM 362 N MET A 24 1.921 -3.404 1.690 1.00 0.00 N ATOM 363 CA MET A 24 3.217 -3.928 2.089 1.00 0.00 C ATOM 364 C MET A 24 3.274 -5.446 1.906 1.00 0.00 C ATOM 365 O MET A 24 2.475 -6.176 2.490 1.00 0.00 O ATOM 366 CB MET A 24 3.479 -3.580 3.555 1.00 0.00 C ATOM 367 CG MET A 24 3.696 -2.076 3.731 1.00 0.00 C ATOM 368 SD MET A 24 3.156 -1.567 5.355 1.00 0.00 S ATOM 369 CE MET A 24 4.173 -0.117 5.580 1.00 0.00 C ATOM 0 H MET A 24 1.161 -3.603 2.341 1.00 0.00 H new ATOM 0 HA MET A 24 3.981 -3.476 1.457 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.636 -3.903 4.166 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.356 -4.122 3.910 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.750 -1.834 3.597 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.144 -1.529 2.967 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.961 0.329 6.552 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.225 -0.399 5.531 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.955 0.606 4.794 1.00 0.00 H new ATOM 378 N PHE A 25 4.228 -5.876 1.093 1.00 0.00 N ATOM 379 CA PHE A 25 4.400 -7.294 0.826 1.00 0.00 C ATOM 380 C PHE A 25 5.883 -7.666 0.776 1.00 0.00 C ATOM 381 O PHE A 25 6.727 -6.829 0.458 1.00 0.00 O ATOM 382 CB PHE A 25 3.771 -7.572 -0.541 1.00 0.00 C ATOM 383 CG PHE A 25 4.680 -7.235 -1.725 1.00 0.00 C ATOM 384 CD1 PHE A 25 4.806 -5.947 -2.140 1.00 0.00 C ATOM 385 CD2 PHE A 25 5.361 -8.225 -2.361 1.00 0.00 C ATOM 386 CE1 PHE A 25 5.650 -5.634 -3.239 1.00 0.00 C ATOM 387 CE2 PHE A 25 6.205 -7.913 -3.460 1.00 0.00 C ATOM 388 CZ PHE A 25 6.331 -6.624 -3.876 1.00 0.00 C ATOM 0 H PHE A 25 4.890 -5.268 0.611 1.00 0.00 H new ATOM 0 HA PHE A 25 3.932 -7.881 1.616 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.496 -8.625 -0.596 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.849 -6.997 -0.629 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.264 -5.161 -1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.260 -9.248 -2.031 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.751 -4.610 -3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.747 -8.699 -3.965 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.972 -6.387 -4.712 1.00 0.00 H new ATOM 398 N MET A 26 6.156 -8.923 1.095 1.00 0.00 N ATOM 399 CA MET A 26 7.523 -9.416 1.090 1.00 0.00 C ATOM 400 C MET A 26 7.890 -10.001 -0.275 1.00 0.00 C ATOM 401 O MET A 26 7.028 -10.511 -0.989 1.00 0.00 O ATOM 402 CB MET A 26 7.681 -10.493 2.166 1.00 0.00 C ATOM 403 CG MET A 26 7.458 -9.909 3.563 1.00 0.00 C ATOM 404 SD MET A 26 6.947 -11.197 4.688 1.00 0.00 S ATOM 405 CE MET A 26 8.526 -11.632 5.399 1.00 0.00 C ATOM 0 H MET A 26 5.454 -9.614 1.358 1.00 0.00 H new ATOM 0 HA MET A 26 8.191 -8.581 1.298 1.00 0.00 H new ATOM 0 HB2 MET A 26 6.969 -11.299 1.987 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.678 -10.929 2.105 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.376 -9.444 3.922 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.699 -9.128 3.523 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.389 -12.429 6.129 1.00 0.00 H new ATOM 0 HE2 MET A 26 9.198 -11.973 4.611 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.956 -10.760 5.891 1.00 0.00 H new ATOM 414 N VAL A 27 9.172 -9.908 -0.597 1.00 0.00 N ATOM 415 CA VAL A 27 9.664 -10.421 -1.864 1.00 0.00 C ATOM 416 C VAL A 27 9.382 -11.923 -1.946 1.00 0.00 C ATOM 417 O VAL A 27 9.472 -12.517 -3.019 1.00 0.00 O ATOM 418 CB VAL A 27 11.148 -10.082 -2.026 1.00 0.00 C ATOM 419 CG1 VAL A 27 11.999 -10.851 -1.014 1.00 0.00 C ATOM 420 CG2 VAL A 27 11.619 -10.351 -3.456 1.00 0.00 C ATOM 0 H VAL A 27 9.885 -9.485 -0.002 1.00 0.00 H new ATOM 0 HA VAL A 27 9.143 -9.946 -2.696 1.00 0.00 H new ATOM 0 HB VAL A 27 11.272 -9.017 -1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.049 -10.592 -1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.689 -10.587 -0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.867 -11.922 -1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.677 -10.102 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.473 -11.404 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.043 -9.739 -4.150 1.00 0.00 H new ATOM 428 N ALA A 28 9.046 -12.492 -0.798 1.00 0.00 N ATOM 429 CA ALA A 28 8.750 -13.913 -0.726 1.00 0.00 C ATOM 430 C ALA A 28 8.001 -14.338 -1.990 1.00 0.00 C ATOM 431 O ALA A 28 8.264 -15.406 -2.542 1.00 0.00 O ATOM 432 CB ALA A 28 7.956 -14.205 0.549 1.00 0.00 C ATOM 0 H ALA A 28 8.972 -11.995 0.090 1.00 0.00 H new ATOM 0 HA ALA A 28 9.670 -14.495 -0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.734 -15.271 0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.544 -13.912 1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.024 -13.640 0.534 1.00 0.00 H new ATOM 437 N ALA A 29 7.083 -13.481 -2.412 1.00 0.00 N ATOM 438 CA ALA A 29 6.294 -13.755 -3.601 1.00 0.00 C ATOM 439 C ALA A 29 5.900 -12.432 -4.262 1.00 0.00 C ATOM 440 O ALA A 29 5.782 -11.409 -3.590 1.00 0.00 O ATOM 441 CB ALA A 29 5.078 -14.603 -3.223 1.00 0.00 C ATOM 0 H ALA A 29 6.868 -12.596 -1.952 1.00 0.00 H new ATOM 0 HA ALA A 29 6.876 -14.325 -4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.486 -14.808 -4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.412 -15.543 -2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.468 -14.062 -2.500 1.00 0.00 H new ATOM 446 N PRO A 30 5.702 -12.498 -5.606 1.00 0.00 N ATOM 447 CA PRO A 30 5.324 -11.318 -6.365 1.00 0.00 C ATOM 448 C PRO A 30 3.854 -10.964 -6.131 1.00 0.00 C ATOM 449 O PRO A 30 3.432 -9.840 -6.400 1.00 0.00 O ATOM 450 CB PRO A 30 5.627 -11.668 -7.813 1.00 0.00 C ATOM 451 CG PRO A 30 5.725 -13.184 -7.864 1.00 0.00 C ATOM 452 CD PRO A 30 5.833 -13.692 -6.435 1.00 0.00 C ATOM 0 HA PRO A 30 5.874 -10.428 -6.061 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.841 -11.305 -8.475 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.558 -11.205 -8.140 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.848 -13.607 -8.354 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.595 -13.491 -8.445 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.050 -14.417 -6.212 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.787 -14.191 -6.263 1.00 0.00 H new ATOM 460 N HIS A 31 3.114 -11.944 -5.633 1.00 0.00 N ATOM 461 CA HIS A 31 1.700 -11.749 -5.360 1.00 0.00 C ATOM 462 C HIS A 31 1.341 -12.404 -4.024 1.00 0.00 C ATOM 463 O HIS A 31 0.580 -13.370 -3.987 1.00 0.00 O ATOM 464 CB HIS A 31 0.847 -12.263 -6.521 1.00 0.00 C ATOM 465 CG HIS A 31 -0.590 -11.800 -6.479 1.00 0.00 C ATOM 466 ND1 HIS A 31 -1.561 -12.292 -7.333 1.00 0.00 N ATOM 467 CD2 HIS A 31 -1.209 -10.887 -5.677 1.00 0.00 C ATOM 468 CE1 HIS A 31 -2.709 -11.695 -7.050 1.00 0.00 C ATOM 469 NE2 HIS A 31 -2.489 -10.824 -6.023 1.00 0.00 N ATOM 0 H HIS A 31 3.467 -12.875 -5.412 1.00 0.00 H new ATOM 0 HA HIS A 31 1.486 -10.684 -5.272 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.296 -11.938 -7.460 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.867 -13.353 -6.519 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.738 -10.313 -4.893 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.653 -11.867 -7.545 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -3.192 -10.224 -5.592 1.00 0.00 H new ATOM 477 N VAL A 32 1.905 -11.852 -2.960 1.00 0.00 N ATOM 478 CA VAL A 32 1.654 -12.370 -1.626 1.00 0.00 C ATOM 479 C VAL A 32 1.898 -11.263 -0.599 1.00 0.00 C ATOM 480 O VAL A 32 2.999 -11.138 -0.066 1.00 0.00 O ATOM 481 CB VAL A 32 2.509 -13.615 -1.379 1.00 0.00 C ATOM 482 CG1 VAL A 32 2.558 -13.959 0.111 1.00 0.00 C ATOM 483 CG2 VAL A 32 2.001 -14.802 -2.199 1.00 0.00 C ATOM 0 H VAL A 32 2.535 -11.051 -2.995 1.00 0.00 H new ATOM 0 HA VAL A 32 0.614 -12.681 -1.526 1.00 0.00 H new ATOM 0 HB VAL A 32 3.525 -13.393 -1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.172 -14.847 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.989 -13.124 0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.548 -14.151 0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.627 -15.673 -2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.972 -15.024 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.042 -14.556 -3.260 1.00 0.00 H new ATOM 491 N PRO A 33 0.825 -10.467 -0.346 1.00 0.00 N ATOM 492 CA PRO A 33 0.912 -9.375 0.608 1.00 0.00 C ATOM 493 C PRO A 33 0.905 -9.899 2.045 1.00 0.00 C ATOM 494 O PRO A 33 0.469 -11.021 2.298 1.00 0.00 O ATOM 495 CB PRO A 33 -0.280 -8.484 0.295 1.00 0.00 C ATOM 496 CG PRO A 33 -1.244 -9.344 -0.505 1.00 0.00 C ATOM 497 CD PRO A 33 -0.495 -10.586 -0.959 1.00 0.00 C ATOM 0 HA PRO A 33 1.844 -8.816 0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.748 -8.121 1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.027 -7.607 -0.275 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.105 -9.619 0.104 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.624 -8.792 -1.365 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.002 -11.495 -0.635 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.424 -10.631 -2.046 1.00 0.00 H new ATOM 505 N VAL A 34 1.394 -9.063 2.949 1.00 0.00 N ATOM 506 CA VAL A 34 1.450 -9.429 4.354 1.00 0.00 C ATOM 507 C VAL A 34 0.466 -8.561 5.142 1.00 0.00 C ATOM 508 O VAL A 34 -0.156 -9.031 6.093 1.00 0.00 O ATOM 509 CB VAL A 34 2.888 -9.318 4.866 1.00 0.00 C ATOM 510 CG1 VAL A 34 3.412 -7.888 4.724 1.00 0.00 C ATOM 511 CG2 VAL A 34 2.992 -9.799 6.315 1.00 0.00 C ATOM 0 H VAL A 34 1.755 -8.133 2.736 1.00 0.00 H new ATOM 0 HA VAL A 34 1.149 -10.468 4.491 1.00 0.00 H new ATOM 0 HB VAL A 34 3.513 -9.966 4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.436 -7.837 5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.392 -7.596 3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.783 -7.211 5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.024 -9.710 6.655 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.347 -9.189 6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.679 -10.841 6.376 1.00 0.00 H new ATOM 519 N LYS A 35 0.356 -7.311 4.716 1.00 0.00 N ATOM 520 CA LYS A 35 -0.541 -6.374 5.370 1.00 0.00 C ATOM 521 C LYS A 35 -0.688 -5.124 4.500 1.00 0.00 C ATOM 522 O LYS A 35 0.240 -4.747 3.787 1.00 0.00 O ATOM 523 CB LYS A 35 -0.065 -6.080 6.794 1.00 0.00 C ATOM 524 CG LYS A 35 1.192 -5.208 6.782 1.00 0.00 C ATOM 525 CD LYS A 35 1.522 -4.702 8.188 1.00 0.00 C ATOM 526 CE LYS A 35 0.801 -3.384 8.480 1.00 0.00 C ATOM 527 NZ LYS A 35 1.743 -2.394 9.048 1.00 0.00 N ATOM 0 H LYS A 35 0.873 -6.926 3.926 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.535 -6.809 5.475 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.856 -5.576 7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.142 -7.016 7.313 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.033 -5.781 6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.045 -4.361 6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.232 -5.451 8.925 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.599 -4.561 8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.361 -2.992 7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.018 -3.557 9.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.238 -1.505 9.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.143 -2.764 9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.511 -2.216 8.369 1.00 0.00 H new ATOM 540 N ARG A 36 -1.858 -4.486 4.564 1.00 0.00 N ATOM 541 CA ARG A 36 -2.122 -3.291 3.788 1.00 0.00 C ATOM 542 C ARG A 36 -2.947 -2.313 4.612 1.00 0.00 C ATOM 543 O ARG A 36 -3.468 -2.672 5.666 1.00 0.00 O ATOM 544 CB ARG A 36 -2.855 -3.670 2.505 1.00 0.00 C ATOM 545 CG ARG A 36 -2.052 -4.729 1.754 1.00 0.00 C ATOM 546 CD ARG A 36 -2.705 -4.998 0.401 1.00 0.00 C ATOM 547 NE ARG A 36 -3.867 -5.875 0.544 1.00 0.00 N ATOM 548 CZ ARG A 36 -4.342 -6.620 -0.463 1.00 0.00 C ATOM 549 NH1 ARG A 36 -3.747 -6.582 -1.663 1.00 0.00 N ATOM 550 NH2 ARG A 36 -5.412 -7.403 -0.271 1.00 0.00 N ATOM 0 H ARG A 36 -2.636 -4.785 5.151 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.181 -2.809 3.524 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.849 -4.051 2.740 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.992 -2.789 1.878 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.025 -4.391 1.613 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.007 -5.649 2.338 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.010 -4.055 -0.053 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.980 -5.456 -0.272 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.335 -5.921 1.449 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.932 -5.986 -1.810 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.109 -7.149 -2.430 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.865 -7.432 0.642 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.773 -7.970 -1.038 1.00 0.00 H new ATOM 564 N GLY A 37 -3.045 -1.093 4.102 1.00 0.00 N ATOM 565 CA GLY A 37 -3.803 -0.057 4.783 1.00 0.00 C ATOM 566 C GLY A 37 -3.832 1.232 3.959 1.00 0.00 C ATOM 567 O GLY A 37 -3.708 1.194 2.736 1.00 0.00 O ATOM 0 H GLY A 37 -2.612 -0.800 3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.821 -0.403 4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.360 0.141 5.759 1.00 0.00 H new ATOM 571 N CYS A 38 -3.995 2.342 4.662 1.00 0.00 N ATOM 572 CA CYS A 38 -4.042 3.641 4.011 1.00 0.00 C ATOM 573 C CYS A 38 -2.969 4.532 4.640 1.00 0.00 C ATOM 574 O CYS A 38 -2.724 4.461 5.844 1.00 0.00 O ATOM 575 CB CYS A 38 -5.433 4.271 4.104 1.00 0.00 C ATOM 576 SG CYS A 38 -6.755 3.341 3.246 1.00 0.00 S ATOM 0 H CYS A 38 -4.096 2.370 5.677 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.839 3.525 2.946 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.702 4.371 5.156 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.389 5.278 3.690 1.00 0.00 H new ATOM 581 N ILE A 39 -2.356 5.350 3.797 1.00 0.00 N ATOM 582 CA ILE A 39 -1.315 6.254 4.255 1.00 0.00 C ATOM 583 C ILE A 39 -1.300 7.500 3.366 1.00 0.00 C ATOM 584 O ILE A 39 -2.083 7.604 2.424 1.00 0.00 O ATOM 585 CB ILE A 39 0.031 5.530 4.323 1.00 0.00 C ATOM 586 CG1 ILE A 39 0.844 5.997 5.532 1.00 0.00 C ATOM 587 CG2 ILE A 39 0.807 5.691 3.014 1.00 0.00 C ATOM 588 CD1 ILE A 39 0.728 5.002 6.688 1.00 0.00 C ATOM 0 H ILE A 39 -2.560 5.406 2.799 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.522 6.590 5.271 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.160 4.465 4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.890 6.111 5.249 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.493 6.977 5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.760 5.167 3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.226 5.272 2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.989 6.749 2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.315 5.358 7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.317 4.909 6.985 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.103 4.029 6.370 1.00 0.00 H new ATOM 598 N ASP A 40 -0.404 8.441 3.671 1.00 0.00 N ATOM 599 CA ASP A 40 -0.291 9.666 2.906 1.00 0.00 C ATOM 600 C ASP A 40 0.973 9.630 2.059 1.00 0.00 C ATOM 601 O ASP A 40 0.928 9.902 0.862 1.00 0.00 O ATOM 602 CB ASP A 40 -0.271 10.859 3.858 1.00 0.00 C ATOM 603 CG ASP A 40 -0.627 12.145 3.125 1.00 0.00 C ATOM 604 OD1 ASP A 40 -1.148 12.029 1.995 1.00 0.00 O ATOM 605 OD2 ASP A 40 -0.371 13.220 3.709 1.00 0.00 O ATOM 0 H ASP A 40 0.253 8.369 4.448 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.148 9.764 2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.977 10.692 4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.717 10.954 4.308 1.00 0.00 H new ATOM 611 N VAL A 41 2.076 9.291 2.712 1.00 0.00 N ATOM 612 CA VAL A 41 3.356 9.217 2.029 1.00 0.00 C ATOM 613 C VAL A 41 3.812 7.757 1.968 1.00 0.00 C ATOM 614 O VAL A 41 3.548 6.982 2.885 1.00 0.00 O ATOM 615 CB VAL A 41 4.371 10.132 2.717 1.00 0.00 C ATOM 616 CG1 VAL A 41 4.791 9.562 4.073 1.00 0.00 C ATOM 617 CG2 VAL A 41 5.588 10.372 1.822 1.00 0.00 C ATOM 0 H VAL A 41 2.109 9.065 3.706 1.00 0.00 H new ATOM 0 HA VAL A 41 3.262 9.572 1.003 1.00 0.00 H new ATOM 0 HB VAL A 41 3.890 11.094 2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.513 10.231 4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.915 9.467 4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.245 8.581 3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.294 11.025 2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.070 9.420 1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.269 10.842 0.892 1.00 0.00 H new ATOM 625 N CYS A 42 4.489 7.428 0.877 1.00 0.00 N ATOM 626 CA CYS A 42 4.984 6.076 0.684 1.00 0.00 C ATOM 627 C CYS A 42 6.391 5.990 1.280 1.00 0.00 C ATOM 628 O CYS A 42 7.220 6.869 1.052 1.00 0.00 O ATOM 629 CB CYS A 42 4.963 5.670 -0.791 1.00 0.00 C ATOM 630 SG CYS A 42 4.181 4.051 -1.131 1.00 0.00 S ATOM 0 H CYS A 42 4.706 8.074 0.118 1.00 0.00 H new ATOM 0 HA CYS A 42 4.330 5.370 1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.436 6.438 -1.357 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.988 5.648 -1.162 1.00 0.00 H new ATOM 635 N PRO A 43 6.623 4.893 2.051 1.00 0.00 N ATOM 636 CA PRO A 43 7.915 4.681 2.681 1.00 0.00 C ATOM 637 C PRO A 43 8.955 4.224 1.656 1.00 0.00 C ATOM 638 O PRO A 43 8.607 3.845 0.539 1.00 0.00 O ATOM 639 CB PRO A 43 7.658 3.650 3.767 1.00 0.00 C ATOM 640 CG PRO A 43 6.342 2.981 3.405 1.00 0.00 C ATOM 641 CD PRO A 43 5.665 3.831 2.342 1.00 0.00 C ATOM 0 HA PRO A 43 8.331 5.594 3.108 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.467 2.921 3.812 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.599 4.122 4.748 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.516 1.971 3.033 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.705 2.891 4.285 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.440 3.245 1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.720 4.238 2.703 1.00 0.00 H new ATOM 649 N LYS A 44 10.212 4.275 2.074 1.00 0.00 N ATOM 650 CA LYS A 44 11.306 3.870 1.207 1.00 0.00 C ATOM 651 C LYS A 44 11.185 2.375 0.904 1.00 0.00 C ATOM 652 O LYS A 44 10.823 1.589 1.778 1.00 0.00 O ATOM 653 CB LYS A 44 12.650 4.267 1.820 1.00 0.00 C ATOM 654 CG LYS A 44 13.813 3.687 1.013 1.00 0.00 C ATOM 655 CD LYS A 44 14.027 4.473 -0.282 1.00 0.00 C ATOM 656 CE LYS A 44 15.404 4.178 -0.881 1.00 0.00 C ATOM 657 NZ LYS A 44 15.272 3.349 -2.100 1.00 0.00 N ATOM 0 H LYS A 44 10.497 4.591 3.001 1.00 0.00 H new ATOM 0 HA LYS A 44 11.250 4.394 0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.732 5.353 1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.704 3.912 2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.723 3.711 1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.612 2.641 0.779 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.250 4.214 -1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.934 5.541 -0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.910 5.113 -1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.023 3.661 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.217 3.130 -2.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.778 2.464 -1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.728 3.870 -2.817 1.00 0.00 H new ATOM 670 N SER A 45 11.495 2.028 -0.336 1.00 0.00 N ATOM 671 CA SER A 45 11.426 0.642 -0.765 1.00 0.00 C ATOM 672 C SER A 45 12.796 -0.022 -0.611 1.00 0.00 C ATOM 673 O SER A 45 13.805 0.515 -1.066 1.00 0.00 O ATOM 674 CB SER A 45 10.945 0.536 -2.213 1.00 0.00 C ATOM 675 OG SER A 45 9.536 0.337 -2.294 1.00 0.00 O ATOM 0 H SER A 45 11.795 2.683 -1.058 1.00 0.00 H new ATOM 0 HA SER A 45 10.705 0.124 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.214 1.444 -2.752 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.457 -0.291 -2.706 1.00 0.00 H new ATOM 0 HG SER A 45 9.268 0.276 -3.235 1.00 0.00 H new ATOM 681 N SER A 46 12.788 -1.181 0.032 1.00 0.00 N ATOM 682 CA SER A 46 14.017 -1.924 0.252 1.00 0.00 C ATOM 683 C SER A 46 14.010 -3.206 -0.583 1.00 0.00 C ATOM 684 O SER A 46 13.006 -3.535 -1.213 1.00 0.00 O ATOM 685 CB SER A 46 14.202 -2.256 1.733 1.00 0.00 C ATOM 686 OG SER A 46 13.490 -3.432 2.110 1.00 0.00 O ATOM 0 H SER A 46 11.949 -1.624 0.408 1.00 0.00 H new ATOM 0 HA SER A 46 14.854 -1.300 -0.060 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.263 -2.391 1.944 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.861 -1.416 2.338 1.00 0.00 H new ATOM 0 HG SER A 46 12.641 -3.471 1.622 1.00 0.00 H new ATOM 692 N LEU A 47 15.141 -3.895 -0.561 1.00 0.00 N ATOM 693 CA LEU A 47 15.278 -5.133 -1.308 1.00 0.00 C ATOM 694 C LEU A 47 14.459 -6.230 -0.624 1.00 0.00 C ATOM 695 O LEU A 47 13.717 -6.958 -1.282 1.00 0.00 O ATOM 696 CB LEU A 47 16.754 -5.491 -1.488 1.00 0.00 C ATOM 697 CG LEU A 47 17.476 -4.798 -2.646 1.00 0.00 C ATOM 698 CD1 LEU A 47 18.991 -4.975 -2.532 1.00 0.00 C ATOM 699 CD2 LEU A 47 16.942 -5.286 -3.995 1.00 0.00 C ATOM 0 H LEU A 47 15.972 -3.619 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 47 14.877 -5.015 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 47 17.280 -5.253 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.831 -6.569 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 47 17.271 -3.729 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 47 19.480 -4.473 -3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 47 19.338 -4.541 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.236 -6.037 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.472 -4.778 -4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.097 -6.362 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.877 -5.066 -4.066 1.00 0.00 H new ATOM 709 N LEU A 48 14.620 -6.313 0.688 1.00 0.00 N ATOM 710 CA LEU A 48 13.905 -7.308 1.469 1.00 0.00 C ATOM 711 C LEU A 48 12.405 -7.184 1.194 1.00 0.00 C ATOM 712 O LEU A 48 11.793 -8.100 0.646 1.00 0.00 O ATOM 713 CB LEU A 48 14.270 -7.191 2.950 1.00 0.00 C ATOM 714 CG LEU A 48 14.196 -8.485 3.763 1.00 0.00 C ATOM 715 CD1 LEU A 48 15.588 -9.088 3.962 1.00 0.00 C ATOM 716 CD2 LEU A 48 13.475 -8.256 5.093 1.00 0.00 C ATOM 0 H LEU A 48 15.236 -5.707 1.231 1.00 0.00 H new ATOM 0 HA LEU A 48 14.203 -8.313 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.283 -6.796 3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.608 -6.458 3.410 1.00 0.00 H new ATOM 0 HG LEU A 48 13.609 -9.210 3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.507 -10.007 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.030 -9.310 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 48 16.220 -8.377 4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.436 -9.191 5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.014 -7.508 5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.461 -7.905 4.901 1.00 0.00 H new ATOM 726 N VAL A 49 11.856 -6.044 1.587 1.00 0.00 N ATOM 727 CA VAL A 49 10.439 -5.789 1.389 1.00 0.00 C ATOM 728 C VAL A 49 10.267 -4.589 0.456 1.00 0.00 C ATOM 729 O VAL A 49 11.167 -3.760 0.333 1.00 0.00 O ATOM 730 CB VAL A 49 9.749 -5.598 2.741 1.00 0.00 C ATOM 731 CG1 VAL A 49 9.973 -6.811 3.647 1.00 0.00 C ATOM 732 CG2 VAL A 49 10.219 -4.311 3.421 1.00 0.00 C ATOM 0 H VAL A 49 12.366 -5.287 2.041 1.00 0.00 H new ATOM 0 HA VAL A 49 9.960 -6.644 0.911 1.00 0.00 H new ATOM 0 HB VAL A 49 8.678 -5.508 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.472 -6.650 4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.565 -7.702 3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.041 -6.947 3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.713 -4.200 4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.296 -4.357 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.984 -3.457 2.786 1.00 0.00 H new ATOM 740 N LYS A 50 9.105 -4.535 -0.179 1.00 0.00 N ATOM 741 CA LYS A 50 8.803 -3.451 -1.097 1.00 0.00 C ATOM 742 C LYS A 50 7.390 -2.934 -0.823 1.00 0.00 C ATOM 743 O LYS A 50 6.534 -3.679 -0.347 1.00 0.00 O ATOM 744 CB LYS A 50 9.025 -3.897 -2.544 1.00 0.00 C ATOM 745 CG LYS A 50 10.422 -3.508 -3.030 1.00 0.00 C ATOM 746 CD LYS A 50 10.629 -3.916 -4.490 1.00 0.00 C ATOM 747 CE LYS A 50 11.134 -2.737 -5.323 1.00 0.00 C ATOM 748 NZ LYS A 50 11.725 -3.215 -6.593 1.00 0.00 N ATOM 0 H LYS A 50 8.361 -5.225 -0.075 1.00 0.00 H new ATOM 0 HA LYS A 50 9.485 -2.616 -0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.898 -4.977 -2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.272 -3.442 -3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.560 -2.432 -2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.175 -3.988 -2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.344 -4.737 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.690 -4.283 -4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.311 -2.053 -5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.878 -2.176 -4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.063 -2.402 -7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.523 -3.849 -6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.005 -3.730 -7.139 1.00 0.00 H new ATOM 761 N TYR A 51 7.188 -1.662 -1.135 1.00 0.00 N ATOM 762 CA TYR A 51 5.893 -1.037 -0.928 1.00 0.00 C ATOM 763 C TYR A 51 5.415 -0.331 -2.198 1.00 0.00 C ATOM 764 O TYR A 51 6.222 0.213 -2.951 1.00 0.00 O ATOM 765 CB TYR A 51 6.099 0.004 0.174 1.00 0.00 C ATOM 766 CG TYR A 51 6.920 -0.500 1.361 1.00 0.00 C ATOM 767 CD1 TYR A 51 6.674 -1.751 1.889 1.00 0.00 C ATOM 768 CD2 TYR A 51 7.908 0.296 1.905 1.00 0.00 C ATOM 769 CE1 TYR A 51 7.447 -2.226 3.008 1.00 0.00 C ATOM 770 CE2 TYR A 51 8.681 -0.179 3.023 1.00 0.00 C ATOM 771 CZ TYR A 51 8.412 -1.416 3.519 1.00 0.00 C ATOM 772 OH TYR A 51 9.143 -1.865 4.575 1.00 0.00 O ATOM 0 H TYR A 51 7.900 -1.047 -1.530 1.00 0.00 H new ATOM 0 HA TYR A 51 5.144 -1.784 -0.663 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.594 0.876 -0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.125 0.335 0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.902 -2.374 1.463 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.101 1.275 1.492 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.264 -3.203 3.431 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.457 0.433 3.458 1.00 0.00 H new ATOM 0 HH TYR A 51 9.796 -1.182 4.835 1.00 0.00 H new ATOM 782 N VAL A 52 4.106 -0.363 -2.399 1.00 0.00 N ATOM 783 CA VAL A 52 3.512 0.267 -3.565 1.00 0.00 C ATOM 784 C VAL A 52 2.366 1.178 -3.119 1.00 0.00 C ATOM 785 O VAL A 52 1.623 0.841 -2.198 1.00 0.00 O ATOM 786 CB VAL A 52 3.071 -0.800 -4.569 1.00 0.00 C ATOM 787 CG1 VAL A 52 2.210 -0.189 -5.677 1.00 0.00 C ATOM 788 CG2 VAL A 52 4.279 -1.534 -5.154 1.00 0.00 C ATOM 0 H VAL A 52 3.440 -0.816 -1.773 1.00 0.00 H new ATOM 0 HA VAL A 52 4.244 0.892 -4.076 1.00 0.00 H new ATOM 0 HB VAL A 52 2.461 -1.530 -4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.910 -0.969 -6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.322 0.266 -5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.784 0.572 -6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.938 -2.287 -5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.926 -0.821 -5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.834 -2.018 -4.351 1.00 0.00 H new ATOM 796 N CYS A 53 2.259 2.314 -3.793 1.00 0.00 N ATOM 797 CA CYS A 53 1.216 3.275 -3.478 1.00 0.00 C ATOM 798 C CYS A 53 0.407 3.541 -4.749 1.00 0.00 C ATOM 799 O CYS A 53 0.927 3.417 -5.857 1.00 0.00 O ATOM 800 CB CYS A 53 1.794 4.564 -2.889 1.00 0.00 C ATOM 801 SG CYS A 53 2.149 4.496 -1.095 1.00 0.00 S ATOM 0 H CYS A 53 2.877 2.590 -4.556 1.00 0.00 H new ATOM 0 HA CYS A 53 0.560 2.864 -2.711 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.715 4.808 -3.418 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.094 5.378 -3.076 1.00 0.00 H new ATOM 806 N CYS A 54 -0.851 3.902 -4.547 1.00 0.00 N ATOM 807 CA CYS A 54 -1.737 4.187 -5.663 1.00 0.00 C ATOM 808 C CYS A 54 -2.942 4.966 -5.134 1.00 0.00 C ATOM 809 O CYS A 54 -3.445 4.677 -4.049 1.00 0.00 O ATOM 810 CB CYS A 54 -2.159 2.909 -6.391 1.00 0.00 C ATOM 811 SG CYS A 54 -2.122 1.394 -5.365 1.00 0.00 S ATOM 0 H CYS A 54 -1.279 4.004 -3.627 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.211 4.791 -6.402 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.169 3.044 -6.778 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.505 2.765 -7.251 1.00 0.00 H new ATOM 816 N ASN A 55 -3.371 5.939 -5.924 1.00 0.00 N ATOM 817 CA ASN A 55 -4.508 6.763 -5.549 1.00 0.00 C ATOM 818 C ASN A 55 -5.726 6.351 -6.378 1.00 0.00 C ATOM 819 O ASN A 55 -6.241 7.143 -7.166 1.00 0.00 O ATOM 820 CB ASN A 55 -4.230 8.242 -5.819 1.00 0.00 C ATOM 821 CG ASN A 55 -3.705 8.451 -7.242 1.00 0.00 C ATOM 822 OD1 ASN A 55 -4.455 8.621 -8.189 1.00 0.00 O ATOM 823 ND2 ASN A 55 -2.379 8.427 -7.338 1.00 0.00 N ATOM 0 H ASN A 55 -2.951 6.176 -6.823 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.691 6.620 -4.484 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.143 8.819 -5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.501 8.616 -5.100 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.931 8.556 -8.245 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.810 8.280 -6.504 1.00 0.00 H new ATOM 830 N THR A 56 -6.151 5.113 -6.172 1.00 0.00 N ATOM 831 CA THR A 56 -7.299 4.587 -6.890 1.00 0.00 C ATOM 832 C THR A 56 -8.129 3.680 -5.979 1.00 0.00 C ATOM 833 O THR A 56 -7.666 3.273 -4.915 1.00 0.00 O ATOM 834 CB THR A 56 -6.787 3.881 -8.147 1.00 0.00 C ATOM 835 OG1 THR A 56 -5.847 2.931 -7.653 1.00 0.00 O ATOM 836 CG2 THR A 56 -5.953 4.803 -9.038 1.00 0.00 C ATOM 0 H THR A 56 -5.721 4.459 -5.518 1.00 0.00 H new ATOM 0 HA THR A 56 -7.972 5.387 -7.200 1.00 0.00 H new ATOM 0 HB THR A 56 -7.633 3.495 -8.716 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.467 2.427 -8.402 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.615 4.252 -9.916 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.561 5.651 -9.354 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.089 5.164 -8.480 1.00 0.00 H new ATOM 843 N ASP A 57 -9.355 3.368 -6.403 1.00 0.00 N ATOM 844 CA ASP A 57 -10.238 2.518 -5.629 1.00 0.00 C ATOM 845 C ASP A 57 -9.701 1.094 -5.615 1.00 0.00 C ATOM 846 O ASP A 57 -9.248 0.590 -6.641 1.00 0.00 O ATOM 847 CB ASP A 57 -11.640 2.562 -6.231 1.00 0.00 C ATOM 848 CG ASP A 57 -12.521 3.554 -5.485 1.00 0.00 C ATOM 849 OD1 ASP A 57 -12.269 3.739 -4.275 1.00 0.00 O ATOM 850 OD2 ASP A 57 -13.431 4.108 -6.139 1.00 0.00 O ATOM 0 H ASP A 57 -9.753 3.697 -7.283 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.287 2.876 -4.601 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.580 2.842 -7.283 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.089 1.569 -6.191 1.00 0.00 H new ATOM 856 N LYS A 58 -9.768 0.481 -4.442 1.00 0.00 N ATOM 857 CA LYS A 58 -9.290 -0.882 -4.283 1.00 0.00 C ATOM 858 C LYS A 58 -7.996 -1.061 -5.080 1.00 0.00 C ATOM 859 O LYS A 58 -7.886 -1.976 -5.894 1.00 0.00 O ATOM 860 CB LYS A 58 -10.387 -1.881 -4.659 1.00 0.00 C ATOM 861 CG LYS A 58 -10.806 -1.710 -6.120 1.00 0.00 C ATOM 862 CD LYS A 58 -11.909 -2.703 -6.493 1.00 0.00 C ATOM 863 CE LYS A 58 -12.117 -2.747 -8.009 1.00 0.00 C ATOM 864 NZ LYS A 58 -13.003 -3.874 -8.377 1.00 0.00 N ATOM 0 H LYS A 58 -10.146 0.903 -3.594 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.051 -1.083 -3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.029 -2.898 -4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.251 -1.739 -4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.158 -0.691 -6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.943 -1.858 -6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.647 -3.697 -6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.840 -2.419 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.553 -1.808 -8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.155 -2.853 -8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.134 -3.890 -9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.572 -4.769 -8.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.926 -3.756 -7.913 1.00 0.00 H new ATOM 877 N CYS A 59 -7.049 -0.172 -4.816 1.00 0.00 N ATOM 878 CA CYS A 59 -5.767 -0.220 -5.498 1.00 0.00 C ATOM 879 C CYS A 59 -4.845 -1.162 -4.722 1.00 0.00 C ATOM 880 O CYS A 59 -4.176 -2.009 -5.313 1.00 0.00 O ATOM 881 CB CYS A 59 -5.157 1.174 -5.656 1.00 0.00 C ATOM 882 SG CYS A 59 -3.941 1.629 -4.367 1.00 0.00 S ATOM 0 H CYS A 59 -7.144 0.585 -4.139 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.905 -0.601 -6.510 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.673 1.235 -6.631 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.961 1.910 -5.653 1.00 0.00 H new ATOM 887 N ASN A 60 -4.839 -0.984 -3.409 1.00 0.00 N ATOM 888 CA ASN A 60 -4.010 -1.807 -2.545 1.00 0.00 C ATOM 889 C ASN A 60 -4.761 -3.094 -2.200 1.00 0.00 C ATOM 890 O ASN A 60 -4.300 -4.190 -2.515 1.00 0.00 O ATOM 891 CB ASN A 60 -3.688 -1.083 -1.237 1.00 0.00 C ATOM 892 CG ASN A 60 -4.890 -1.100 -0.290 1.00 0.00 C ATOM 893 OD1 ASN A 60 -6.033 -1.229 -0.698 1.00 0.00 O ATOM 894 ND2 ASN A 60 -4.570 -0.964 0.993 1.00 0.00 N ATOM 0 H ASN A 60 -5.396 -0.281 -2.922 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.082 -2.023 -3.075 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.834 -1.559 -0.755 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.402 -0.053 -1.448 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.302 -0.964 1.704 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.593 -0.860 1.267 1.00 0.00 H new TER 901 ASN A 60 HETATM 902 O HOH A 61 4.803 -10.725 2.132 1.00 0.00 O HETATM 905 O HOH A 62 7.998 -16.438 -5.593 1.00 0.00 O