USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 ASN : amide:sc= 0.0874 K(o=0.046,f=-0.78) USER MOD Set 1.2: A 55 ASN : amide:sc= -0.0413 K(o=0.046,f=-0.78) USER MOD Set 2.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 143:sc= 1.68 (180deg=1.06) USER MOD Single : A 2 LYS NZ :NH3+ 139:sc= -0.106 (180deg=-0.537) USER MOD Single : A 4 ASN : amide:sc= -0.104 K(o=-0.1,f=-4.9!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 31:sc= 0.483 USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= -0.0051 (180deg=-0.586) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 154:sc= 0.438 (180deg=0.183) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.333 X(o=0.33,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.00781 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.066 USER MOD Single : A 60 ASN : amide:sc= 0.397 K(o=0.4,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.487 12.953 0.373 1.00 2.00 N ATOM 2 CA LEU A 1 -0.296 12.150 -0.597 1.00 2.00 C ATOM 3 C LEU A 1 -1.858 12.274 -0.377 1.00 2.00 C ATOM 4 O LEU A 1 -2.346 12.933 0.542 1.00 2.00 O ATOM 5 CB LEU A 1 0.229 10.671 -0.549 1.00 2.00 C ATOM 6 CG LEU A 1 0.741 10.046 -1.876 1.00 2.00 C ATOM 7 CD1 LEU A 1 0.855 8.520 -1.736 1.00 2.00 C ATOM 8 CD2 LEU A 1 -0.129 10.296 -3.112 1.00 2.00 C ATOM 0 H1 LEU A 1 1.350 12.436 0.635 1.00 2.00 H new ATOM 0 H2 LEU A 1 0.746 13.863 -0.059 1.00 2.00 H new ATOM 0 H3 LEU A 1 -0.086 13.124 1.224 1.00 2.00 H new ATOM 0 HA LEU A 1 -0.144 12.543 -1.602 1.00 2.00 H new ATOM 0 HB2 LEU A 1 1.040 10.626 0.178 1.00 2.00 H new ATOM 0 HB3 LEU A 1 -0.576 10.041 -0.169 1.00 2.00 H new ATOM 0 HG LEU A 1 1.698 10.543 -2.037 1.00 2.00 H new ATOM 0 HD11 LEU A 1 1.215 8.095 -2.673 1.00 2.00 H new ATOM 0 HD12 LEU A 1 1.555 8.279 -0.936 1.00 2.00 H new ATOM 0 HD13 LEU A 1 -0.124 8.102 -1.500 1.00 2.00 H new ATOM 0 HD21 LEU A 1 0.324 9.815 -3.979 1.00 2.00 H new ATOM 0 HD22 LEU A 1 -1.124 9.883 -2.946 1.00 2.00 H new ATOM 0 HD23 LEU A 1 -0.206 11.368 -3.292 1.00 2.00 H new ATOM 22 N LYS A 2 -2.637 11.632 -1.250 1.00 2.00 N ATOM 23 CA LYS A 2 -4.131 11.614 -1.225 1.00 2.00 C ATOM 24 C LYS A 2 -4.423 10.170 -1.751 1.00 2.00 C ATOM 25 O LYS A 2 -4.169 9.901 -2.924 1.00 2.00 O ATOM 26 CB LYS A 2 -4.689 12.773 -2.109 1.00 2.00 C ATOM 27 CG LYS A 2 -5.831 13.607 -1.498 1.00 2.00 C ATOM 28 CD LYS A 2 -7.193 12.895 -1.415 1.00 2.00 C ATOM 29 CE LYS A 2 -8.250 13.835 -0.815 1.00 2.00 C ATOM 30 NZ LYS A 2 -9.550 13.149 -0.712 1.00 2.00 N ATOM 0 H LYS A 2 -2.251 11.090 -2.023 1.00 2.00 H new ATOM 0 HA LYS A 2 -4.609 11.791 -0.261 1.00 2.00 H new ATOM 0 HB2 LYS A 2 -3.866 13.445 -2.351 1.00 2.00 H new ATOM 0 HB3 LYS A 2 -5.041 12.348 -3.049 1.00 2.00 H new ATOM 0 HG2 LYS A 2 -5.538 13.914 -0.494 1.00 2.00 H new ATOM 0 HG3 LYS A 2 -5.950 14.516 -2.087 1.00 2.00 H new ATOM 0 HD2 LYS A 2 -7.504 12.574 -2.409 1.00 2.00 H new ATOM 0 HD3 LYS A 2 -7.105 11.997 -0.803 1.00 2.00 H new ATOM 0 HE2 LYS A 2 -7.930 14.170 0.171 1.00 2.00 H new ATOM 0 HE3 LYS A 2 -8.350 14.725 -1.437 1.00 2.00 H new ATOM 0 HZ1 LYS A 2 -10.002 13.395 0.192 1.00 2.00 H new ATOM 0 HZ2 LYS A 2 -10.163 13.446 -1.498 1.00 2.00 H new ATOM 0 HZ3 LYS A 2 -9.404 12.120 -0.757 1.00 2.00 H new ATOM 43 N CYS A 3 -4.885 9.219 -0.925 1.00 2.00 N ATOM 44 CA CYS A 3 -5.169 7.822 -1.374 1.00 2.00 C ATOM 45 C CYS A 3 -6.597 7.234 -1.166 1.00 2.00 C ATOM 46 O CYS A 3 -7.480 7.848 -0.573 1.00 2.00 O ATOM 47 CB CYS A 3 -4.120 7.003 -0.577 1.00 2.00 C ATOM 48 SG CYS A 3 -2.426 7.441 -1.012 1.00 2.00 S ATOM 0 H CYS A 3 -5.075 9.380 0.064 1.00 2.00 H new ATOM 0 HA CYS A 3 -5.111 7.788 -2.462 1.00 2.00 H new ATOM 0 HB2 CYS A 3 -4.271 7.166 0.490 1.00 2.00 H new ATOM 0 HB3 CYS A 3 -4.276 5.940 -0.763 1.00 2.00 H new ATOM 53 N ASN A 4 -6.816 6.018 -1.688 1.00 2.00 N ATOM 54 CA ASN A 4 -8.107 5.288 -1.592 1.00 2.00 C ATOM 55 C ASN A 4 -8.033 4.169 -0.507 1.00 2.00 C ATOM 56 O ASN A 4 -7.012 3.486 -0.427 1.00 2.00 O ATOM 57 CB ASN A 4 -8.432 4.537 -2.928 1.00 2.00 C ATOM 58 CG ASN A 4 -8.365 5.264 -4.271 1.00 2.00 C ATOM 59 OD1 ASN A 4 -8.416 6.481 -4.381 1.00 2.00 O ATOM 60 ND2 ASN A 4 -8.252 4.535 -5.348 1.00 2.00 N ATOM 0 H ASN A 4 -6.099 5.500 -2.196 1.00 2.00 H new ATOM 0 HA ASN A 4 -8.861 6.039 -1.356 1.00 2.00 H new ATOM 0 HB2 ASN A 4 -7.754 3.686 -2.990 1.00 2.00 H new ATOM 0 HB3 ASN A 4 -9.440 4.134 -2.832 1.00 2.00 H new ATOM 0 HD21 ASN A 4 -8.208 4.982 -6.264 1.00 2.00 H new ATOM 0 HD22 ASN A 4 -8.208 3.519 -5.274 1.00 2.00 H new ATOM 67 N LYS A 5 -9.060 3.973 0.339 1.00 2.00 N ATOM 68 CA LYS A 5 -9.034 2.898 1.383 1.00 2.00 C ATOM 69 C LYS A 5 -9.523 1.540 0.708 1.00 2.00 C ATOM 70 O LYS A 5 -9.463 1.390 -0.518 1.00 2.00 O ATOM 71 CB LYS A 5 -9.762 3.374 2.678 1.00 2.00 C ATOM 72 CG LYS A 5 -11.303 3.529 2.635 1.00 2.00 C ATOM 73 CD LYS A 5 -11.948 3.945 3.972 1.00 2.00 C ATOM 74 CE LYS A 5 -11.983 2.838 5.038 1.00 2.00 C ATOM 75 NZ LYS A 5 -12.746 3.322 6.206 1.00 2.00 N ATOM 0 H LYS A 5 -9.914 4.530 0.332 1.00 2.00 H new ATOM 0 HA LYS A 5 -8.031 2.682 1.751 1.00 2.00 H new ATOM 0 HB2 LYS A 5 -9.520 2.670 3.474 1.00 2.00 H new ATOM 0 HB3 LYS A 5 -9.338 4.337 2.964 1.00 2.00 H new ATOM 0 HG2 LYS A 5 -11.559 4.271 1.878 1.00 2.00 H new ATOM 0 HG3 LYS A 5 -11.741 2.583 2.315 1.00 2.00 H new ATOM 0 HD2 LYS A 5 -11.403 4.800 4.373 1.00 2.00 H new ATOM 0 HD3 LYS A 5 -12.968 4.279 3.780 1.00 2.00 H new ATOM 0 HE2 LYS A 5 -12.446 1.938 4.632 1.00 2.00 H new ATOM 0 HE3 LYS A 5 -10.969 2.569 5.335 1.00 2.00 H new ATOM 0 HZ1 LYS A 5 -12.775 2.579 6.933 1.00 2.00 H new ATOM 0 HZ2 LYS A 5 -12.285 4.169 6.595 1.00 2.00 H new ATOM 0 HZ3 LYS A 5 -13.716 3.559 5.914 1.00 2.00 H new ATOM 88 N LEU A 6 -9.962 0.512 1.449 1.00 2.00 N ATOM 89 CA LEU A 6 -10.435 -0.793 0.858 1.00 2.00 C ATOM 90 C LEU A 6 -11.422 -0.766 -0.374 1.00 2.00 C ATOM 91 O LEU A 6 -11.249 -1.527 -1.332 1.00 2.00 O ATOM 92 CB LEU A 6 -11.114 -1.597 2.027 1.00 2.00 C ATOM 93 CG LEU A 6 -10.493 -2.951 2.424 1.00 2.00 C ATOM 94 CD1 LEU A 6 -10.458 -3.963 1.269 1.00 2.00 C ATOM 95 CD2 LEU A 6 -9.107 -2.755 3.041 1.00 2.00 C ATOM 0 H LEU A 6 -10.007 0.539 2.468 1.00 2.00 H new ATOM 0 HA LEU A 6 -9.538 -1.241 0.430 1.00 2.00 H new ATOM 0 HB2 LEU A 6 -11.121 -0.960 2.911 1.00 2.00 H new ATOM 0 HB3 LEU A 6 -12.154 -1.773 1.752 1.00 2.00 H new ATOM 0 HG LEU A 6 -11.149 -3.384 3.179 1.00 2.00 H new ATOM 0 HD11 LEU A 6 -10.009 -4.894 1.615 1.00 2.00 H new ATOM 0 HD12 LEU A 6 -11.474 -4.156 0.923 1.00 2.00 H new ATOM 0 HD13 LEU A 6 -9.866 -3.558 0.448 1.00 2.00 H new ATOM 0 HD21 LEU A 6 -8.689 -3.724 3.313 1.00 2.00 H new ATOM 0 HD22 LEU A 6 -8.453 -2.268 2.318 1.00 2.00 H new ATOM 0 HD23 LEU A 6 -9.190 -2.133 3.932 1.00 2.00 H new ATOM 107 N ILE A 7 -12.427 0.120 -0.333 1.00 2.00 N ATOM 108 CA ILE A 7 -13.461 0.293 -1.393 1.00 2.00 C ATOM 109 C ILE A 7 -12.929 0.832 -2.785 1.00 2.00 C ATOM 110 O ILE A 7 -12.117 1.766 -2.773 1.00 2.00 O ATOM 111 CB ILE A 7 -14.609 1.211 -0.804 1.00 2.00 C ATOM 112 CG1 ILE A 7 -15.229 0.771 0.563 1.00 2.00 C ATOM 113 CG2 ILE A 7 -15.787 1.499 -1.776 1.00 2.00 C ATOM 114 CD1 ILE A 7 -15.871 -0.629 0.613 1.00 2.00 C ATOM 0 H ILE A 7 -12.557 0.757 0.453 1.00 2.00 H new ATOM 0 HA ILE A 7 -13.836 -0.699 -1.645 1.00 2.00 H new ATOM 0 HB ILE A 7 -14.031 2.120 -0.638 1.00 2.00 H new ATOM 0 HG12 ILE A 7 -14.447 0.814 1.321 1.00 2.00 H new ATOM 0 HG13 ILE A 7 -15.986 1.503 0.845 1.00 2.00 H new ATOM 0 HG21 ILE A 7 -16.520 2.135 -1.280 1.00 2.00 H new ATOM 0 HG22 ILE A 7 -15.410 2.005 -2.665 1.00 2.00 H new ATOM 0 HG23 ILE A 7 -16.258 0.560 -2.065 1.00 2.00 H new ATOM 0 HD11 ILE A 7 -16.263 -0.814 1.613 1.00 2.00 H new ATOM 0 HD12 ILE A 7 -16.684 -0.683 -0.111 1.00 2.00 H new ATOM 0 HD13 ILE A 7 -15.121 -1.382 0.373 1.00 2.00 H new ATOM 126 N PRO A 8 -13.376 0.332 -3.986 1.00 2.00 N ATOM 127 CA PRO A 8 -12.894 0.824 -5.313 1.00 2.00 C ATOM 128 C PRO A 8 -12.825 2.359 -5.631 1.00 2.00 C ATOM 129 O PRO A 8 -11.845 2.807 -6.228 1.00 2.00 O ATOM 130 CB PRO A 8 -13.778 0.041 -6.301 1.00 2.00 C ATOM 131 CG PRO A 8 -14.095 -1.268 -5.580 1.00 2.00 C ATOM 132 CD PRO A 8 -14.243 -0.863 -4.114 1.00 2.00 C ATOM 0 HA PRO A 8 -11.820 0.647 -5.367 1.00 2.00 H new ATOM 0 HB2 PRO A 8 -14.688 0.592 -6.541 1.00 2.00 H new ATOM 0 HB3 PRO A 8 -13.257 -0.140 -7.241 1.00 2.00 H new ATOM 0 HG2 PRO A 8 -15.010 -1.722 -5.962 1.00 2.00 H new ATOM 0 HG3 PRO A 8 -13.297 -1.999 -5.713 1.00 2.00 H new ATOM 0 HD2 PRO A 8 -15.279 -0.633 -3.865 1.00 2.00 H new ATOM 0 HD3 PRO A 8 -13.924 -1.662 -3.444 1.00 2.00 H new ATOM 140 N ILE A 9 -13.823 3.158 -5.216 1.00 2.00 N ATOM 141 CA ILE A 9 -13.858 4.642 -5.471 1.00 2.00 C ATOM 142 C ILE A 9 -13.556 5.530 -4.188 1.00 2.00 C ATOM 143 O ILE A 9 -13.970 6.690 -4.117 1.00 2.00 O ATOM 144 CB ILE A 9 -15.214 4.958 -6.238 1.00 2.00 C ATOM 145 CG1 ILE A 9 -15.527 4.078 -7.498 1.00 2.00 C ATOM 146 CG2 ILE A 9 -15.430 6.436 -6.671 1.00 2.00 C ATOM 147 CD1 ILE A 9 -14.504 4.117 -8.651 1.00 2.00 C ATOM 0 H ILE A 9 -14.631 2.814 -4.697 1.00 2.00 H new ATOM 0 HA ILE A 9 -13.028 4.938 -6.112 1.00 2.00 H new ATOM 0 HB ILE A 9 -15.904 4.702 -5.434 1.00 2.00 H new ATOM 0 HG12 ILE A 9 -15.630 3.043 -7.171 1.00 2.00 H new ATOM 0 HG13 ILE A 9 -16.495 4.385 -7.894 1.00 2.00 H new ATOM 0 HG21 ILE A 9 -16.387 6.529 -7.184 1.00 2.00 H new ATOM 0 HG22 ILE A 9 -15.427 7.077 -5.790 1.00 2.00 H new ATOM 0 HG23 ILE A 9 -14.627 6.739 -7.343 1.00 2.00 H new ATOM 0 HD11 ILE A 9 -14.840 3.466 -9.458 1.00 2.00 H new ATOM 0 HD12 ILE A 9 -14.413 5.138 -9.022 1.00 2.00 H new ATOM 0 HD13 ILE A 9 -13.534 3.775 -8.289 1.00 2.00 H new ATOM 159 N ALA A 10 -12.745 5.083 -3.206 1.00 2.00 N ATOM 160 CA ALA A 10 -12.434 5.882 -1.981 1.00 2.00 C ATOM 161 C ALA A 10 -11.440 7.092 -2.144 1.00 2.00 C ATOM 162 O ALA A 10 -10.682 7.158 -3.111 1.00 2.00 O ATOM 163 CB ALA A 10 -12.022 4.840 -0.935 1.00 2.00 C ATOM 0 H ALA A 10 -12.288 4.171 -3.229 1.00 2.00 H new ATOM 0 HA ALA A 10 -13.314 6.448 -1.675 1.00 2.00 H new ATOM 0 HB1 ALA A 10 -11.775 5.342 0.001 1.00 2.00 H new ATOM 0 HB2 ALA A 10 -12.846 4.146 -0.768 1.00 2.00 H new ATOM 0 HB3 ALA A 10 -11.151 4.290 -1.292 1.00 2.00 H new ATOM 169 N SER A 11 -11.433 8.059 -1.202 1.00 2.00 N ATOM 170 CA SER A 11 -10.531 9.258 -1.254 1.00 2.00 C ATOM 171 C SER A 11 -10.227 9.837 0.175 1.00 2.00 C ATOM 172 O SER A 11 -11.134 10.331 0.850 1.00 2.00 O ATOM 173 CB SER A 11 -11.183 10.337 -2.159 1.00 2.00 C ATOM 174 OG SER A 11 -12.387 10.867 -1.597 1.00 2.00 O ATOM 0 H SER A 11 -12.043 8.043 -0.385 1.00 2.00 H new ATOM 0 HA SER A 11 -9.572 8.951 -1.672 1.00 2.00 H new ATOM 0 HB2 SER A 11 -10.473 11.148 -2.321 1.00 2.00 H new ATOM 0 HB3 SER A 11 -11.401 9.905 -3.136 1.00 2.00 H new ATOM 0 HG SER A 11 -12.329 10.845 -0.619 1.00 2.00 H new ATOM 180 N LYS A 12 -8.951 9.885 0.596 1.00 2.00 N ATOM 181 CA LYS A 12 -8.519 10.406 1.931 1.00 2.00 C ATOM 182 C LYS A 12 -7.095 11.075 1.910 1.00 2.00 C ATOM 183 O LYS A 12 -6.159 10.561 1.291 1.00 2.00 O ATOM 184 CB LYS A 12 -8.601 9.163 2.879 1.00 2.00 C ATOM 185 CG LYS A 12 -8.168 9.325 4.358 1.00 2.00 C ATOM 186 CD LYS A 12 -6.680 9.022 4.666 1.00 2.00 C ATOM 187 CE LYS A 12 -6.301 7.538 4.842 1.00 2.00 C ATOM 188 NZ LYS A 12 -6.048 6.867 3.549 1.00 2.00 N ATOM 0 H LYS A 12 -8.172 9.562 0.022 1.00 2.00 H new ATOM 0 HA LYS A 12 -9.159 11.220 2.271 1.00 2.00 H new ATOM 0 HB2 LYS A 12 -9.632 8.811 2.873 1.00 2.00 H new ATOM 0 HB3 LYS A 12 -7.992 8.373 2.441 1.00 2.00 H new ATOM 0 HG2 LYS A 12 -8.382 10.348 4.669 1.00 2.00 H new ATOM 0 HG3 LYS A 12 -8.786 8.669 4.971 1.00 2.00 H new ATOM 0 HD2 LYS A 12 -6.074 9.435 3.860 1.00 2.00 H new ATOM 0 HD3 LYS A 12 -6.405 9.554 5.577 1.00 2.00 H new ATOM 0 HE2 LYS A 12 -5.411 7.464 5.467 1.00 2.00 H new ATOM 0 HE3 LYS A 12 -7.104 7.020 5.367 1.00 2.00 H new ATOM 0 HZ1 LYS A 12 -5.470 6.017 3.706 1.00 2.00 H new ATOM 0 HZ2 LYS A 12 -6.954 6.595 3.116 1.00 2.00 H new ATOM 0 HZ3 LYS A 12 -5.542 7.517 2.914 1.00 2.00 H new ATOM 201 N THR A 13 -6.912 12.214 2.609 1.00 2.00 N ATOM 202 CA THR A 13 -5.601 12.951 2.675 1.00 2.00 C ATOM 203 C THR A 13 -4.578 12.194 3.598 1.00 2.00 C ATOM 204 O THR A 13 -4.890 11.840 4.739 1.00 2.00 O ATOM 205 CB THR A 13 -5.846 14.419 3.151 1.00 2.00 C ATOM 206 OG1 THR A 13 -6.797 15.072 2.315 1.00 2.00 O ATOM 207 CG2 THR A 13 -4.605 15.325 3.110 1.00 2.00 C ATOM 0 H THR A 13 -7.656 12.660 3.147 1.00 2.00 H new ATOM 0 HA THR A 13 -5.158 12.988 1.680 1.00 2.00 H new ATOM 0 HB THR A 13 -6.179 14.297 4.182 1.00 2.00 H new ATOM 0 HG1 THR A 13 -6.936 15.989 2.632 1.00 2.00 H new ATOM 0 HG21 THR A 13 -4.872 16.323 3.458 1.00 2.00 H new ATOM 0 HG22 THR A 13 -3.831 14.911 3.756 1.00 2.00 H new ATOM 0 HG23 THR A 13 -4.232 15.385 2.088 1.00 2.00 H new ATOM 215 N CYS A 14 -3.346 11.968 3.112 1.00 2.00 N ATOM 216 CA CYS A 14 -2.273 11.254 3.872 1.00 2.00 C ATOM 217 C CYS A 14 -0.845 11.957 3.792 1.00 2.00 C ATOM 218 O CYS A 14 -0.623 12.757 2.875 1.00 2.00 O ATOM 219 CB CYS A 14 -2.382 9.834 3.251 1.00 2.00 C ATOM 220 SG CYS A 14 -1.529 8.546 4.168 1.00 2.00 S ATOM 0 H CYS A 14 -3.053 12.270 2.183 1.00 2.00 H new ATOM 0 HA CYS A 14 -2.396 11.249 4.955 1.00 2.00 H new ATOM 0 HB2 CYS A 14 -3.436 9.567 3.171 1.00 2.00 H new ATOM 0 HB3 CYS A 14 -1.983 9.864 2.237 1.00 2.00 H new ATOM 225 N PRO A 15 0.178 11.691 4.665 1.00 2.00 N ATOM 226 CA PRO A 15 1.531 12.351 4.603 1.00 2.00 C ATOM 227 C PRO A 15 2.436 12.465 3.319 1.00 2.00 C ATOM 228 O PRO A 15 2.241 11.797 2.300 1.00 2.00 O ATOM 229 CB PRO A 15 2.272 11.596 5.729 1.00 2.00 C ATOM 230 CG PRO A 15 1.197 11.272 6.761 1.00 2.00 C ATOM 231 CD PRO A 15 -0.011 10.905 5.907 1.00 2.00 C ATOM 0 HA PRO A 15 1.335 13.422 4.660 1.00 2.00 H new ATOM 0 HB2 PRO A 15 2.743 10.688 5.352 1.00 2.00 H new ATOM 0 HB3 PRO A 15 3.062 12.209 6.162 1.00 2.00 H new ATOM 0 HG2 PRO A 15 1.497 10.448 7.409 1.00 2.00 H new ATOM 0 HG3 PRO A 15 0.989 12.125 7.406 1.00 2.00 H new ATOM 0 HD2 PRO A 15 -0.045 9.835 5.701 1.00 2.00 H new ATOM 0 HD3 PRO A 15 -0.946 11.163 6.405 1.00 2.00 H new ATOM 239 N ALA A 16 3.405 13.403 3.379 1.00 2.00 N ATOM 240 CA ALA A 16 4.391 13.689 2.288 1.00 2.00 C ATOM 241 C ALA A 16 5.617 12.727 2.350 1.00 2.00 C ATOM 242 O ALA A 16 5.781 12.013 3.348 1.00 2.00 O ATOM 243 CB ALA A 16 4.763 15.175 2.469 1.00 2.00 C ATOM 0 H ALA A 16 3.535 13.999 4.196 1.00 2.00 H new ATOM 0 HA ALA A 16 3.977 13.514 1.295 1.00 2.00 H new ATOM 0 HB1 ALA A 16 5.485 15.465 1.705 1.00 2.00 H new ATOM 0 HB2 ALA A 16 3.867 15.789 2.373 1.00 2.00 H new ATOM 0 HB3 ALA A 16 5.200 15.323 3.456 1.00 2.00 H new ATOM 249 N GLY A 17 6.546 12.706 1.359 1.00 2.00 N ATOM 250 CA GLY A 17 7.723 11.742 1.427 1.00 2.00 C ATOM 251 C GLY A 17 7.248 10.333 0.916 1.00 2.00 C ATOM 252 O GLY A 17 7.877 9.659 0.097 1.00 2.00 O ATOM 0 H GLY A 17 6.527 13.305 0.534 1.00 2.00 H new ATOM 0 HA2 GLY A 17 8.547 12.108 0.815 1.00 2.00 H new ATOM 0 HA3 GLY A 17 8.093 11.668 2.450 1.00 2.00 H new ATOM 256 N LYS A 18 6.080 9.940 1.453 1.00 2.00 N ATOM 257 CA LYS A 18 5.327 8.716 1.215 1.00 2.00 C ATOM 258 C LYS A 18 4.596 8.965 -0.158 1.00 2.00 C ATOM 259 O LYS A 18 3.473 9.473 -0.205 1.00 2.00 O ATOM 260 CB LYS A 18 4.349 8.563 2.425 1.00 2.00 C ATOM 261 CG LYS A 18 4.903 8.532 3.878 1.00 2.00 C ATOM 262 CD LYS A 18 5.919 7.416 4.172 1.00 2.00 C ATOM 263 CE LYS A 18 6.411 7.425 5.625 1.00 2.00 C ATOM 264 NZ LYS A 18 7.201 6.202 5.870 1.00 2.00 N ATOM 0 H LYS A 18 5.601 10.536 2.129 1.00 2.00 H new ATOM 0 HA LYS A 18 5.911 7.798 1.148 1.00 2.00 H new ATOM 0 HB2 LYS A 18 3.634 9.384 2.369 1.00 2.00 H new ATOM 0 HB3 LYS A 18 3.788 7.641 2.273 1.00 2.00 H new ATOM 0 HG2 LYS A 18 5.372 9.493 4.091 1.00 2.00 H new ATOM 0 HG3 LYS A 18 4.064 8.427 4.566 1.00 2.00 H new ATOM 0 HD2 LYS A 18 5.464 6.450 3.954 1.00 2.00 H new ATOM 0 HD3 LYS A 18 6.773 7.524 3.504 1.00 2.00 H new ATOM 0 HE2 LYS A 18 7.019 8.310 5.812 1.00 2.00 H new ATOM 0 HE3 LYS A 18 5.564 7.470 6.310 1.00 2.00 H new ATOM 0 HZ1 LYS A 18 7.881 6.376 6.638 1.00 2.00 H new ATOM 0 HZ2 LYS A 18 6.564 5.426 6.141 1.00 2.00 H new ATOM 0 HZ3 LYS A 18 7.715 5.942 5.004 1.00 2.00 H new ATOM 277 N ASN A 19 5.284 8.687 -1.278 1.00 2.00 N ATOM 278 CA ASN A 19 4.740 8.871 -2.659 1.00 2.00 C ATOM 279 C ASN A 19 3.841 7.764 -3.287 1.00 2.00 C ATOM 280 O ASN A 19 3.070 8.053 -4.203 1.00 2.00 O ATOM 281 CB ASN A 19 5.931 9.270 -3.579 1.00 2.00 C ATOM 282 CG ASN A 19 6.927 8.169 -3.962 1.00 2.00 C ATOM 283 OD1 ASN A 19 6.777 7.489 -4.969 1.00 2.00 O ATOM 284 ND2 ASN A 19 7.953 7.944 -3.183 1.00 2.00 N ATOM 0 H ASN A 19 6.238 8.326 -1.265 1.00 2.00 H new ATOM 0 HA ASN A 19 3.990 9.656 -2.563 1.00 2.00 H new ATOM 0 HB2 ASN A 19 5.521 9.688 -4.498 1.00 2.00 H new ATOM 0 HB3 ASN A 19 6.485 10.068 -3.085 1.00 2.00 H new ATOM 0 HD21 ASN A 19 8.619 7.208 -3.417 1.00 2.00 H new ATOM 0 HD22 ASN A 19 8.087 8.505 -2.342 1.00 2.00 H new ATOM 291 N LEU A 20 3.961 6.521 -2.829 1.00 2.00 N ATOM 292 CA LEU A 20 3.178 5.382 -3.330 1.00 2.00 C ATOM 293 C LEU A 20 1.832 5.193 -2.583 1.00 2.00 C ATOM 294 O LEU A 20 1.804 5.051 -1.354 1.00 2.00 O ATOM 295 CB LEU A 20 3.996 4.078 -3.104 1.00 2.00 C ATOM 296 CG LEU A 20 5.416 3.896 -3.690 1.00 2.00 C ATOM 297 CD1 LEU A 20 6.044 2.623 -3.130 1.00 2.00 C ATOM 298 CD2 LEU A 20 5.434 3.762 -5.208 1.00 2.00 C ATOM 0 H LEU A 20 4.614 6.267 -2.088 1.00 2.00 H new ATOM 0 HA LEU A 20 2.971 5.583 -4.381 1.00 2.00 H new ATOM 0 HB2 LEU A 20 4.080 3.941 -2.026 1.00 2.00 H new ATOM 0 HB3 LEU A 20 3.390 3.256 -3.484 1.00 2.00 H new ATOM 0 HG LEU A 20 5.968 4.794 -3.411 1.00 2.00 H new ATOM 0 HD11 LEU A 20 7.044 2.498 -3.545 1.00 2.00 H new ATOM 0 HD12 LEU A 20 6.108 2.696 -2.044 1.00 2.00 H new ATOM 0 HD13 LEU A 20 5.429 1.765 -3.400 1.00 2.00 H new ATOM 0 HD21 LEU A 20 6.461 3.637 -5.550 1.00 2.00 H new ATOM 0 HD22 LEU A 20 4.845 2.894 -5.504 1.00 2.00 H new ATOM 0 HD23 LEU A 20 5.008 4.659 -5.658 1.00 2.00 H new ATOM 310 N CYS A 21 0.691 5.227 -3.292 1.00 2.00 N ATOM 311 CA CYS A 21 -0.640 5.033 -2.649 1.00 2.00 C ATOM 312 C CYS A 21 -0.662 3.457 -2.598 1.00 2.00 C ATOM 313 O CYS A 21 -0.905 2.785 -3.608 1.00 2.00 O ATOM 314 CB CYS A 21 -1.756 5.663 -3.506 1.00 2.00 C ATOM 315 SG CYS A 21 -2.121 7.351 -2.996 1.00 2.00 S ATOM 0 H CYS A 21 0.652 5.384 -4.299 1.00 2.00 H new ATOM 0 HA CYS A 21 -0.798 5.502 -1.678 1.00 2.00 H new ATOM 0 HB2 CYS A 21 -1.456 5.657 -4.554 1.00 2.00 H new ATOM 0 HB3 CYS A 21 -2.659 5.057 -3.429 1.00 2.00 H new ATOM 320 N TYR A 22 -0.298 2.867 -1.444 1.00 2.00 N ATOM 321 CA TYR A 22 -0.265 1.395 -1.273 1.00 2.00 C ATOM 322 C TYR A 22 -1.583 0.653 -0.936 1.00 2.00 C ATOM 323 O TYR A 22 -2.520 1.187 -0.349 1.00 2.00 O ATOM 324 CB TYR A 22 0.932 0.965 -0.360 1.00 2.00 C ATOM 325 CG TYR A 22 0.842 0.990 1.186 1.00 2.00 C ATOM 326 CD1 TYR A 22 0.039 1.908 1.862 1.00 2.00 C ATOM 327 CD2 TYR A 22 1.652 0.127 1.935 1.00 2.00 C ATOM 328 CE1 TYR A 22 0.038 1.970 3.254 1.00 2.00 C ATOM 329 CE2 TYR A 22 1.674 0.208 3.328 1.00 2.00 C ATOM 330 CZ TYR A 22 0.861 1.124 3.984 1.00 2.00 C ATOM 331 OH TYR A 22 0.876 1.207 5.349 1.00 2.00 O ATOM 0 H TYR A 22 -0.021 3.386 -0.611 1.00 2.00 H new ATOM 0 HA TYR A 22 -0.104 1.039 -2.291 1.00 2.00 H new ATOM 0 HB2 TYR A 22 1.190 -0.056 -0.642 1.00 2.00 H new ATOM 0 HB3 TYR A 22 1.778 1.595 -0.635 1.00 2.00 H new ATOM 0 HD1 TYR A 22 -0.591 2.580 1.299 1.00 2.00 H new ATOM 0 HD2 TYR A 22 2.264 -0.606 1.431 1.00 2.00 H new ATOM 0 HE1 TYR A 22 -0.602 2.675 3.764 1.00 2.00 H new ATOM 0 HE2 TYR A 22 2.323 -0.442 3.896 1.00 2.00 H new ATOM 0 HH TYR A 22 1.503 0.546 5.710 1.00 2.00 H new ATOM 341 N LYS A 23 -1.597 -0.612 -1.336 1.00 2.00 N ATOM 342 CA LYS A 23 -2.698 -1.569 -1.154 1.00 2.00 C ATOM 343 C LYS A 23 -2.023 -2.790 -0.454 1.00 2.00 C ATOM 344 O LYS A 23 -1.360 -3.630 -1.067 1.00 2.00 O ATOM 345 CB LYS A 23 -3.502 -1.832 -2.457 1.00 2.00 C ATOM 346 CG LYS A 23 -2.758 -2.007 -3.803 1.00 2.00 C ATOM 347 CD LYS A 23 -3.681 -2.029 -5.039 1.00 2.00 C ATOM 348 CE LYS A 23 -4.411 -3.364 -5.229 1.00 2.00 C ATOM 349 NZ LYS A 23 -5.344 -3.282 -6.371 1.00 2.00 N ATOM 0 H LYS A 23 -0.802 -1.027 -1.822 1.00 2.00 H new ATOM 0 HA LYS A 23 -3.509 -1.202 -0.526 1.00 2.00 H new ATOM 0 HB2 LYS A 23 -4.096 -2.732 -2.295 1.00 2.00 H new ATOM 0 HB3 LYS A 23 -4.202 -1.005 -2.579 1.00 2.00 H new ATOM 0 HG2 LYS A 23 -2.039 -1.196 -3.915 1.00 2.00 H new ATOM 0 HG3 LYS A 23 -2.189 -2.936 -3.772 1.00 2.00 H new ATOM 0 HD2 LYS A 23 -4.417 -1.230 -4.948 1.00 2.00 H new ATOM 0 HD3 LYS A 23 -3.089 -1.817 -5.929 1.00 2.00 H new ATOM 0 HE2 LYS A 23 -3.687 -4.161 -5.399 1.00 2.00 H new ATOM 0 HE3 LYS A 23 -4.958 -3.619 -4.322 1.00 2.00 H new ATOM 0 HZ1 LYS A 23 -5.831 -4.193 -6.487 1.00 2.00 H new ATOM 0 HZ2 LYS A 23 -6.045 -2.535 -6.193 1.00 2.00 H new ATOM 0 HZ3 LYS A 23 -4.813 -3.060 -7.237 1.00 2.00 H new ATOM 362 N MET A 24 -2.150 -2.806 0.877 1.00 2.00 N ATOM 363 CA MET A 24 -1.610 -3.838 1.800 1.00 2.00 C ATOM 364 C MET A 24 -2.251 -5.259 1.611 1.00 2.00 C ATOM 365 O MET A 24 -3.004 -5.729 2.459 1.00 2.00 O ATOM 366 CB MET A 24 -1.893 -3.133 3.173 1.00 2.00 C ATOM 367 CG MET A 24 -1.375 -3.763 4.472 1.00 2.00 C ATOM 368 SD MET A 24 -2.145 -2.997 5.914 1.00 2.00 S ATOM 369 CE MET A 24 -1.188 -1.476 6.074 1.00 2.00 C ATOM 0 H MET A 24 -2.653 -2.071 1.374 1.00 2.00 H new ATOM 0 HA MET A 24 -0.562 -4.101 1.653 1.00 2.00 H new ATOM 0 HB2 MET A 24 -1.481 -2.126 3.113 1.00 2.00 H new ATOM 0 HB3 MET A 24 -2.974 -3.030 3.269 1.00 2.00 H new ATOM 0 HG2 MET A 24 -1.583 -4.833 4.470 1.00 2.00 H new ATOM 0 HG3 MET A 24 -0.293 -3.649 4.529 1.00 2.00 H new ATOM 0 HE1 MET A 24 -1.555 -0.903 6.925 1.00 2.00 H new ATOM 0 HE2 MET A 24 -0.137 -1.722 6.228 1.00 2.00 H new ATOM 0 HE3 MET A 24 -1.293 -0.883 5.165 1.00 2.00 H new ATOM 379 N PHE A 25 -1.947 -5.959 0.503 1.00 2.00 N ATOM 380 CA PHE A 25 -2.483 -7.319 0.198 1.00 2.00 C ATOM 381 C PHE A 25 -2.159 -8.388 1.287 1.00 2.00 C ATOM 382 O PHE A 25 -1.020 -8.466 1.745 1.00 2.00 O ATOM 383 CB PHE A 25 -1.904 -7.767 -1.182 1.00 2.00 C ATOM 384 CG PHE A 25 -2.571 -7.400 -2.522 1.00 2.00 C ATOM 385 CD1 PHE A 25 -3.755 -6.667 -2.625 1.00 2.00 C ATOM 386 CD2 PHE A 25 -2.026 -7.966 -3.681 1.00 2.00 C ATOM 387 CE1 PHE A 25 -4.404 -6.538 -3.850 1.00 2.00 C ATOM 388 CE2 PHE A 25 -2.670 -7.831 -4.909 1.00 2.00 C ATOM 389 CZ PHE A 25 -3.861 -7.120 -4.991 1.00 2.00 C ATOM 0 H PHE A 25 -1.319 -5.603 -0.218 1.00 2.00 H new ATOM 0 HA PHE A 25 -3.570 -7.248 0.176 1.00 2.00 H new ATOM 0 HB2 PHE A 25 -0.883 -7.388 -1.229 1.00 2.00 H new ATOM 0 HB3 PHE A 25 -1.840 -8.855 -1.154 1.00 2.00 H new ATOM 0 HD1 PHE A 25 -4.171 -6.196 -1.747 1.00 2.00 H new ATOM 0 HD2 PHE A 25 -1.097 -8.513 -3.622 1.00 2.00 H new ATOM 0 HE1 PHE A 25 -5.330 -5.986 -3.915 1.00 2.00 H new ATOM 0 HE2 PHE A 25 -2.244 -8.278 -5.795 1.00 2.00 H new ATOM 0 HZ PHE A 25 -4.365 -7.019 -5.941 1.00 2.00 H new ATOM 399 N MET A 26 -3.149 -9.194 1.703 1.00 2.00 N ATOM 400 CA MET A 26 -2.942 -10.248 2.738 1.00 2.00 C ATOM 401 C MET A 26 -1.994 -11.387 2.232 1.00 2.00 C ATOM 402 O MET A 26 -2.216 -11.894 1.130 1.00 2.00 O ATOM 403 CB MET A 26 -4.307 -10.934 3.059 1.00 2.00 C ATOM 404 CG MET A 26 -5.500 -10.120 3.599 1.00 2.00 C ATOM 405 SD MET A 26 -7.053 -10.982 3.270 1.00 2.00 S ATOM 406 CE MET A 26 -6.995 -12.289 4.510 1.00 2.00 C ATOM 0 H MET A 26 -4.103 -9.145 1.346 1.00 2.00 H new ATOM 0 HA MET A 26 -2.505 -9.755 3.607 1.00 2.00 H new ATOM 0 HB2 MET A 26 -4.642 -11.421 2.143 1.00 2.00 H new ATOM 0 HB3 MET A 26 -4.105 -11.722 3.784 1.00 2.00 H new ATOM 0 HG2 MET A 26 -5.385 -9.962 4.671 1.00 2.00 H new ATOM 0 HG3 MET A 26 -5.517 -9.135 3.132 1.00 2.00 H new ATOM 0 HE1 MET A 26 -7.890 -12.906 4.431 1.00 2.00 H new ATOM 0 HE2 MET A 26 -6.112 -12.907 4.346 1.00 2.00 H new ATOM 0 HE3 MET A 26 -6.947 -11.845 5.504 1.00 2.00 H new ATOM 416 N MET A 27 -0.965 -11.814 2.991 1.00 2.00 N ATOM 417 CA MET A 27 -0.037 -12.919 2.535 1.00 2.00 C ATOM 418 C MET A 27 -0.815 -14.235 2.128 1.00 2.00 C ATOM 419 O MET A 27 -0.492 -14.876 1.127 1.00 2.00 O ATOM 420 CB MET A 27 1.038 -13.189 3.634 1.00 2.00 C ATOM 421 CG MET A 27 2.491 -12.848 3.242 1.00 2.00 C ATOM 422 SD MET A 27 3.352 -14.311 2.633 1.00 2.00 S ATOM 423 CE MET A 27 4.142 -14.857 4.159 1.00 2.00 C ATOM 0 H MET A 27 -0.741 -11.431 3.910 1.00 2.00 H new ATOM 0 HA MET A 27 0.468 -12.586 1.628 1.00 2.00 H new ATOM 0 HB2 MET A 27 0.776 -12.615 4.523 1.00 2.00 H new ATOM 0 HB3 MET A 27 0.993 -14.242 3.911 1.00 2.00 H new ATOM 0 HG2 MET A 27 2.493 -12.074 2.475 1.00 2.00 H new ATOM 0 HG3 MET A 27 3.019 -12.443 4.105 1.00 2.00 H new ATOM 0 HE1 MET A 27 4.722 -15.759 3.966 1.00 2.00 H new ATOM 0 HE2 MET A 27 4.803 -14.073 4.527 1.00 2.00 H new ATOM 0 HE3 MET A 27 3.379 -15.069 4.908 1.00 2.00 H new ATOM 433 N SER A 28 -1.848 -14.608 2.911 1.00 2.00 N ATOM 434 CA SER A 28 -2.686 -15.807 2.663 1.00 2.00 C ATOM 435 C SER A 28 -3.764 -15.611 1.518 1.00 2.00 C ATOM 436 O SER A 28 -4.091 -16.574 0.824 1.00 2.00 O ATOM 437 CB SER A 28 -3.348 -16.239 3.993 1.00 2.00 C ATOM 438 OG SER A 28 -2.386 -16.558 5.003 1.00 2.00 O ATOM 0 H SER A 28 -2.129 -14.084 3.740 1.00 2.00 H new ATOM 0 HA SER A 28 -2.029 -16.596 2.295 1.00 2.00 H new ATOM 0 HB2 SER A 28 -3.994 -15.438 4.351 1.00 2.00 H new ATOM 0 HB3 SER A 28 -3.984 -17.106 3.814 1.00 2.00 H new ATOM 0 HG SER A 28 -2.850 -16.823 5.824 1.00 2.00 H new ATOM 444 N ASP A 29 -4.367 -14.410 1.359 1.00 2.00 N ATOM 445 CA ASP A 29 -5.393 -14.112 0.314 1.00 2.00 C ATOM 446 C ASP A 29 -5.159 -12.661 -0.249 1.00 2.00 C ATOM 447 O ASP A 29 -5.890 -11.723 0.083 1.00 2.00 O ATOM 448 CB ASP A 29 -6.798 -14.340 0.941 1.00 2.00 C ATOM 449 CG ASP A 29 -7.973 -14.202 -0.025 1.00 2.00 C ATOM 450 OD1 ASP A 29 -8.594 -15.159 -0.473 1.00 2.00 O ATOM 451 OD2 ASP A 29 -8.240 -12.898 -0.336 1.00 2.00 O ATOM 0 H ASP A 29 -4.158 -13.609 1.954 1.00 2.00 H new ATOM 0 HA ASP A 29 -5.314 -14.777 -0.546 1.00 2.00 H new ATOM 0 HB2 ASP A 29 -6.825 -15.337 1.380 1.00 2.00 H new ATOM 0 HB3 ASP A 29 -6.934 -13.629 1.756 1.00 2.00 H new ATOM 457 N LEU A 30 -4.226 -12.521 -1.194 1.00 2.00 N ATOM 458 CA LEU A 30 -3.849 -11.235 -1.849 1.00 2.00 C ATOM 459 C LEU A 30 -4.974 -10.272 -2.397 1.00 2.00 C ATOM 460 O LEU A 30 -5.190 -9.217 -1.804 1.00 2.00 O ATOM 461 CB LEU A 30 -2.809 -11.617 -2.969 1.00 2.00 C ATOM 462 CG LEU A 30 -1.407 -12.218 -2.660 1.00 2.00 C ATOM 463 CD1 LEU A 30 -0.532 -11.286 -1.816 1.00 2.00 C ATOM 464 CD2 LEU A 30 -1.416 -13.626 -2.040 1.00 2.00 C ATOM 0 H LEU A 30 -3.688 -13.313 -1.545 1.00 2.00 H new ATOM 0 HA LEU A 30 -3.457 -10.600 -1.054 1.00 2.00 H new ATOM 0 HB2 LEU A 30 -3.311 -12.327 -3.627 1.00 2.00 H new ATOM 0 HB3 LEU A 30 -2.635 -10.712 -3.550 1.00 2.00 H new ATOM 0 HG LEU A 30 -0.967 -12.322 -3.652 1.00 2.00 H new ATOM 0 HD11 LEU A 30 0.433 -11.759 -1.633 1.00 2.00 H new ATOM 0 HD12 LEU A 30 -0.380 -10.347 -2.349 1.00 2.00 H new ATOM 0 HD13 LEU A 30 -1.025 -11.087 -0.864 1.00 2.00 H new ATOM 0 HD21 LEU A 30 -0.391 -13.953 -1.864 1.00 2.00 H new ATOM 0 HD22 LEU A 30 -1.957 -13.604 -1.094 1.00 2.00 H new ATOM 0 HD23 LEU A 30 -1.906 -14.321 -2.722 1.00 2.00 H new ATOM 476 N THR A 31 -5.657 -10.642 -3.501 1.00 2.00 N ATOM 477 CA THR A 31 -6.761 -9.872 -4.187 1.00 2.00 C ATOM 478 C THR A 31 -7.497 -8.672 -3.482 1.00 2.00 C ATOM 479 O THR A 31 -7.465 -7.541 -3.981 1.00 2.00 O ATOM 480 CB THR A 31 -7.783 -10.876 -4.827 1.00 2.00 C ATOM 481 OG1 THR A 31 -8.455 -11.635 -3.826 1.00 2.00 O ATOM 482 CG2 THR A 31 -7.224 -11.886 -5.844 1.00 2.00 C ATOM 0 H THR A 31 -5.458 -11.524 -3.974 1.00 2.00 H new ATOM 0 HA THR A 31 -6.188 -9.300 -4.917 1.00 2.00 H new ATOM 0 HB THR A 31 -8.445 -10.206 -5.375 1.00 2.00 H new ATOM 0 HG1 THR A 31 -9.087 -12.251 -4.252 1.00 2.00 H new ATOM 0 HG21 THR A 31 -8.032 -12.520 -6.209 1.00 2.00 H new ATOM 0 HG22 THR A 31 -6.776 -11.350 -6.681 1.00 2.00 H new ATOM 0 HG23 THR A 31 -6.467 -12.505 -5.363 1.00 2.00 H new ATOM 490 N ILE A 32 -8.220 -8.932 -2.384 1.00 2.00 N ATOM 491 CA ILE A 32 -8.967 -7.901 -1.601 1.00 2.00 C ATOM 492 C ILE A 32 -7.921 -7.528 -0.467 1.00 2.00 C ATOM 493 O ILE A 32 -7.683 -8.369 0.411 1.00 2.00 O ATOM 494 CB ILE A 32 -10.341 -8.468 -1.077 1.00 2.00 C ATOM 495 CG1 ILE A 32 -11.478 -8.584 -2.140 1.00 2.00 C ATOM 496 CG2 ILE A 32 -10.942 -7.621 0.079 1.00 2.00 C ATOM 497 CD1 ILE A 32 -11.258 -9.581 -3.290 1.00 2.00 C ATOM 0 H ILE A 32 -8.313 -9.872 -1.998 1.00 2.00 H new ATOM 0 HA ILE A 32 -9.277 -7.022 -2.166 1.00 2.00 H new ATOM 0 HB ILE A 32 -10.048 -9.467 -0.753 1.00 2.00 H new ATOM 0 HG12 ILE A 32 -12.398 -8.859 -1.624 1.00 2.00 H new ATOM 0 HG13 ILE A 32 -11.639 -7.597 -2.573 1.00 2.00 H new ATOM 0 HG21 ILE A 32 -11.887 -8.060 0.398 1.00 2.00 H new ATOM 0 HG22 ILE A 32 -10.247 -7.606 0.919 1.00 2.00 H new ATOM 0 HG23 ILE A 32 -11.114 -6.602 -0.268 1.00 2.00 H new ATOM 0 HD11 ILE A 32 -12.120 -9.564 -3.956 1.00 2.00 H new ATOM 0 HD12 ILE A 32 -10.363 -9.302 -3.847 1.00 2.00 H new ATOM 0 HD13 ILE A 32 -11.134 -10.584 -2.883 1.00 2.00 H new ATOM 509 N PRO A 33 -7.296 -6.315 -0.408 1.00 2.00 N ATOM 510 CA PRO A 33 -6.312 -5.992 0.659 1.00 2.00 C ATOM 511 C PRO A 33 -6.725 -5.852 2.154 1.00 2.00 C ATOM 512 O PRO A 33 -7.897 -5.716 2.498 1.00 2.00 O ATOM 513 CB PRO A 33 -5.742 -4.632 0.164 1.00 2.00 C ATOM 514 CG PRO A 33 -6.292 -4.346 -1.230 1.00 2.00 C ATOM 515 CD PRO A 33 -7.504 -5.248 -1.397 1.00 2.00 C ATOM 0 HA PRO A 33 -5.660 -6.861 0.747 1.00 2.00 H new ATOM 0 HB2 PRO A 33 -6.021 -3.833 0.851 1.00 2.00 H new ATOM 0 HB3 PRO A 33 -4.653 -4.666 0.140 1.00 2.00 H new ATOM 0 HG2 PRO A 33 -6.570 -3.297 -1.332 1.00 2.00 H new ATOM 0 HG3 PRO A 33 -5.543 -4.553 -1.995 1.00 2.00 H new ATOM 0 HD2 PRO A 33 -8.432 -4.707 -1.211 1.00 2.00 H new ATOM 0 HD3 PRO A 33 -7.566 -5.649 -2.409 1.00 2.00 H new ATOM 523 N VAL A 34 -5.712 -5.886 3.042 1.00 2.00 N ATOM 524 CA VAL A 34 -5.896 -5.743 4.533 1.00 2.00 C ATOM 525 C VAL A 34 -6.297 -4.222 4.795 1.00 2.00 C ATOM 526 O VAL A 34 -7.197 -3.903 5.573 1.00 2.00 O ATOM 527 CB VAL A 34 -4.594 -6.069 5.366 1.00 2.00 C ATOM 528 CG1 VAL A 34 -4.789 -5.941 6.898 1.00 2.00 C ATOM 529 CG2 VAL A 34 -3.963 -7.452 5.139 1.00 2.00 C ATOM 0 H VAL A 34 -4.738 -6.012 2.765 1.00 2.00 H new ATOM 0 HA VAL A 34 -6.655 -6.456 4.857 1.00 2.00 H new ATOM 0 HB VAL A 34 -3.921 -5.307 4.975 1.00 2.00 H new ATOM 0 HG11 VAL A 34 -3.854 -6.179 7.405 1.00 2.00 H new ATOM 0 HG12 VAL A 34 -5.085 -4.921 7.143 1.00 2.00 H new ATOM 0 HG13 VAL A 34 -5.566 -6.632 7.225 1.00 2.00 H new ATOM 0 HG21 VAL A 34 -3.078 -7.555 5.766 1.00 2.00 H new ATOM 0 HG22 VAL A 34 -4.684 -8.228 5.398 1.00 2.00 H new ATOM 0 HG23 VAL A 34 -3.680 -7.555 4.092 1.00 2.00 H new ATOM 539 N LYS A 35 -5.559 -3.299 4.139 1.00 2.00 N ATOM 540 CA LYS A 35 -5.723 -1.840 4.201 1.00 2.00 C ATOM 541 C LYS A 35 -5.219 -1.192 2.866 1.00 2.00 C ATOM 542 O LYS A 35 -4.624 -1.829 1.988 1.00 2.00 O ATOM 543 CB LYS A 35 -4.952 -1.319 5.462 1.00 2.00 C ATOM 544 CG LYS A 35 -5.652 -0.222 6.293 1.00 2.00 C ATOM 545 CD LYS A 35 -6.841 -0.770 7.118 1.00 2.00 C ATOM 546 CE LYS A 35 -7.445 0.237 8.110 1.00 2.00 C ATOM 547 NZ LYS A 35 -6.594 0.399 9.307 1.00 2.00 N ATOM 0 H LYS A 35 -4.795 -3.572 3.521 1.00 2.00 H new ATOM 0 HA LYS A 35 -6.772 -1.560 4.302 1.00 2.00 H new ATOM 0 HB2 LYS A 35 -4.754 -2.168 6.116 1.00 2.00 H new ATOM 0 HB3 LYS A 35 -3.985 -0.935 5.136 1.00 2.00 H new ATOM 0 HG2 LYS A 35 -4.928 0.237 6.966 1.00 2.00 H new ATOM 0 HG3 LYS A 35 -6.008 0.563 5.626 1.00 2.00 H new ATOM 0 HD2 LYS A 35 -7.622 -1.099 6.432 1.00 2.00 H new ATOM 0 HD3 LYS A 35 -6.510 -1.650 7.669 1.00 2.00 H new ATOM 0 HE2 LYS A 35 -7.570 1.202 7.619 1.00 2.00 H new ATOM 0 HE3 LYS A 35 -8.437 -0.099 8.411 1.00 2.00 H new ATOM 0 HZ1 LYS A 35 -7.032 1.085 9.954 1.00 2.00 H new ATOM 0 HZ2 LYS A 35 -6.495 -0.517 9.789 1.00 2.00 H new ATOM 0 HZ3 LYS A 35 -5.655 0.743 9.021 1.00 2.00 H new ATOM 560 N ARG A 36 -5.523 0.086 2.655 1.00 2.00 N ATOM 561 CA ARG A 36 -5.096 0.821 1.435 1.00 2.00 C ATOM 562 C ARG A 36 -4.799 2.279 1.947 1.00 2.00 C ATOM 563 O ARG A 36 -5.710 2.998 2.370 1.00 2.00 O ATOM 564 CB ARG A 36 -6.052 0.775 0.222 1.00 2.00 C ATOM 565 CG ARG A 36 -6.514 -0.541 -0.446 1.00 2.00 C ATOM 566 CD ARG A 36 -7.128 -0.255 -1.846 1.00 2.00 C ATOM 567 NE ARG A 36 -8.282 -1.144 -2.162 1.00 2.00 N ATOM 568 CZ ARG A 36 -8.405 -1.940 -3.216 1.00 2.00 C ATOM 569 NH1 ARG A 36 -7.445 -2.192 -4.054 1.00 2.00 N ATOM 570 NH2 ARG A 36 -9.548 -2.510 -3.411 1.00 2.00 N ATOM 0 H ARG A 36 -6.066 0.650 3.309 1.00 2.00 H new ATOM 0 HA ARG A 36 -4.226 0.332 0.997 1.00 2.00 H new ATOM 0 HB2 ARG A 36 -6.958 1.301 0.524 1.00 2.00 H new ATOM 0 HB3 ARG A 36 -5.583 1.370 -0.562 1.00 2.00 H new ATOM 0 HG2 ARG A 36 -5.668 -1.222 -0.545 1.00 2.00 H new ATOM 0 HG3 ARG A 36 -7.250 -1.038 0.186 1.00 2.00 H new ATOM 0 HD2 ARG A 36 -7.453 0.784 -1.890 1.00 2.00 H new ATOM 0 HD3 ARG A 36 -6.359 -0.381 -2.608 1.00 2.00 H new ATOM 0 HE ARG A 36 -9.057 -1.140 -1.499 1.00 2.00 H new ATOM 0 HH11 ARG A 36 -6.527 -1.767 -3.921 1.00 2.00 H new ATOM 0 HH12 ARG A 36 -7.609 -2.815 -4.845 1.00 2.00 H new ATOM 0 HH21 ARG A 36 -10.319 -2.341 -2.765 1.00 2.00 H new ATOM 0 HH22 ARG A 36 -9.679 -3.129 -4.211 1.00 2.00 H new ATOM 584 N GLY A 37 -3.524 2.701 1.973 1.00 2.00 N ATOM 585 CA GLY A 37 -3.139 4.065 2.444 1.00 2.00 C ATOM 586 C GLY A 37 -1.996 4.735 1.649 1.00 2.00 C ATOM 587 O GLY A 37 -2.007 4.713 0.418 1.00 2.00 O ATOM 0 H GLY A 37 -2.735 2.127 1.676 1.00 2.00 H new ATOM 0 HA2 GLY A 37 -4.017 4.709 2.400 1.00 2.00 H new ATOM 0 HA3 GLY A 37 -2.843 4.001 3.491 1.00 2.00 H new ATOM 591 N CYS A 38 -1.024 5.355 2.337 1.00 2.00 N ATOM 592 CA CYS A 38 0.131 6.030 1.678 1.00 2.00 C ATOM 593 C CYS A 38 1.500 5.583 2.273 1.00 2.00 C ATOM 594 O CYS A 38 1.662 5.510 3.496 1.00 2.00 O ATOM 595 CB CYS A 38 -0.021 7.560 1.699 1.00 2.00 C ATOM 596 SG CYS A 38 0.249 8.289 3.323 1.00 2.00 S ATOM 0 H CYS A 38 -1.006 5.409 3.355 1.00 2.00 H new ATOM 0 HA CYS A 38 0.124 5.712 0.635 1.00 2.00 H new ATOM 0 HB2 CYS A 38 0.685 7.997 0.992 1.00 2.00 H new ATOM 0 HB3 CYS A 38 -1.021 7.822 1.354 1.00 2.00 H new ATOM 601 N ILE A 39 2.496 5.318 1.411 1.00 2.00 N ATOM 602 CA ILE A 39 3.855 4.878 1.855 1.00 2.00 C ATOM 603 C ILE A 39 5.015 5.315 0.880 1.00 2.00 C ATOM 604 O ILE A 39 4.760 5.671 -0.269 1.00 2.00 O ATOM 605 CB ILE A 39 3.792 3.331 2.117 1.00 2.00 C ATOM 606 CG1 ILE A 39 4.680 2.856 3.284 1.00 2.00 C ATOM 607 CG2 ILE A 39 4.056 2.481 0.845 1.00 2.00 C ATOM 608 CD1 ILE A 39 4.363 3.443 4.672 1.00 2.00 C ATOM 0 H ILE A 39 2.398 5.397 0.399 1.00 2.00 H new ATOM 0 HA ILE A 39 4.119 5.390 2.780 1.00 2.00 H new ATOM 0 HB ILE A 39 2.758 3.161 2.418 1.00 2.00 H new ATOM 0 HG12 ILE A 39 4.607 1.770 3.348 1.00 2.00 H new ATOM 0 HG13 ILE A 39 5.716 3.092 3.042 1.00 2.00 H new ATOM 0 HG21 ILE A 39 3.998 1.422 1.096 1.00 2.00 H new ATOM 0 HG22 ILE A 39 3.307 2.716 0.088 1.00 2.00 H new ATOM 0 HG23 ILE A 39 5.049 2.707 0.456 1.00 2.00 H new ATOM 0 HD11 ILE A 39 5.055 3.033 5.407 1.00 2.00 H new ATOM 0 HD12 ILE A 39 4.468 4.528 4.641 1.00 2.00 H new ATOM 0 HD13 ILE A 39 3.342 3.185 4.952 1.00 2.00 H new ATOM 620 N ASP A 40 6.295 5.319 1.299 1.00 2.00 N ATOM 621 CA ASP A 40 7.441 5.725 0.398 1.00 2.00 C ATOM 622 C ASP A 40 7.909 4.612 -0.599 1.00 2.00 C ATOM 623 O ASP A 40 8.104 4.843 -1.792 1.00 2.00 O ATOM 624 CB ASP A 40 8.582 6.409 1.203 1.00 2.00 C ATOM 625 CG ASP A 40 9.279 5.587 2.285 1.00 2.00 C ATOM 626 OD1 ASP A 40 8.782 5.347 3.379 1.00 2.00 O ATOM 627 OD2 ASP A 40 10.507 5.153 1.899 1.00 2.00 O ATOM 0 H ASP A 40 6.581 5.052 2.241 1.00 2.00 H new ATOM 0 HA ASP A 40 7.051 6.488 -0.276 1.00 2.00 H new ATOM 0 HB2 ASP A 40 9.340 6.741 0.494 1.00 2.00 H new ATOM 0 HB3 ASP A 40 8.172 7.303 1.673 1.00 2.00 H new ATOM 633 N VAL A 41 8.133 3.433 -0.037 1.00 2.00 N ATOM 634 CA VAL A 41 8.576 2.185 -0.714 1.00 2.00 C ATOM 635 C VAL A 41 7.624 1.110 -0.100 1.00 2.00 C ATOM 636 O VAL A 41 7.245 1.217 1.073 1.00 2.00 O ATOM 637 CB VAL A 41 10.098 1.892 -0.451 1.00 2.00 C ATOM 638 CG1 VAL A 41 10.582 0.527 -0.999 1.00 2.00 C ATOM 639 CG2 VAL A 41 11.045 2.959 -1.049 1.00 2.00 C ATOM 0 H VAL A 41 8.007 3.295 0.966 1.00 2.00 H new ATOM 0 HA VAL A 41 8.511 2.223 -1.801 1.00 2.00 H new ATOM 0 HB VAL A 41 10.150 1.898 0.638 1.00 2.00 H new ATOM 0 HG11 VAL A 41 11.642 0.401 -0.777 1.00 2.00 H new ATOM 0 HG12 VAL A 41 10.015 -0.276 -0.528 1.00 2.00 H new ATOM 0 HG13 VAL A 41 10.431 0.494 -2.078 1.00 2.00 H new ATOM 0 HG21 VAL A 41 12.079 2.692 -0.829 1.00 2.00 H new ATOM 0 HG22 VAL A 41 10.904 3.006 -2.129 1.00 2.00 H new ATOM 0 HG23 VAL A 41 10.820 3.931 -0.611 1.00 2.00 H new ATOM 649 N CYS A 42 7.180 0.099 -0.876 1.00 2.00 N ATOM 650 CA CYS A 42 6.263 -1.012 -0.415 1.00 2.00 C ATOM 651 C CYS A 42 7.090 -1.645 0.798 1.00 2.00 C ATOM 652 O CYS A 42 8.127 -2.267 0.538 1.00 2.00 O ATOM 653 CB CYS A 42 6.013 -1.853 -1.695 1.00 2.00 C ATOM 654 SG CYS A 42 6.032 -0.802 -3.189 1.00 2.00 S ATOM 0 H CYS A 42 7.441 0.013 -1.858 1.00 2.00 H new ATOM 0 HA CYS A 42 5.265 -0.801 -0.030 1.00 2.00 H new ATOM 0 HB2 CYS A 42 6.777 -2.626 -1.781 1.00 2.00 H new ATOM 0 HB3 CYS A 42 5.052 -2.362 -1.617 1.00 2.00 H new ATOM 659 N PRO A 43 6.741 -1.420 2.105 1.00 2.00 N ATOM 660 CA PRO A 43 7.496 -1.964 3.256 1.00 2.00 C ATOM 661 C PRO A 43 7.906 -3.441 3.441 1.00 2.00 C ATOM 662 O PRO A 43 7.630 -4.319 2.623 1.00 2.00 O ATOM 663 CB PRO A 43 6.715 -1.408 4.477 1.00 2.00 C ATOM 664 CG PRO A 43 5.877 -0.266 3.956 1.00 2.00 C ATOM 665 CD PRO A 43 5.531 -0.698 2.539 1.00 2.00 C ATOM 0 HA PRO A 43 8.524 -1.647 3.079 1.00 2.00 H new ATOM 0 HB2 PRO A 43 6.087 -2.180 4.922 1.00 2.00 H new ATOM 0 HB3 PRO A 43 7.399 -1.066 5.254 1.00 2.00 H new ATOM 0 HG2 PRO A 43 4.982 -0.117 4.560 1.00 2.00 H new ATOM 0 HG3 PRO A 43 6.429 0.674 3.966 1.00 2.00 H new ATOM 0 HD2 PRO A 43 4.649 -1.339 2.517 1.00 2.00 H new ATOM 0 HD3 PRO A 43 5.320 0.157 1.897 1.00 2.00 H new ATOM 673 N LYS A 44 8.594 -3.676 4.581 1.00 2.00 N ATOM 674 CA LYS A 44 9.088 -5.011 4.989 1.00 2.00 C ATOM 675 C LYS A 44 7.810 -5.836 5.355 1.00 2.00 C ATOM 676 O LYS A 44 7.215 -5.720 6.433 1.00 2.00 O ATOM 677 CB LYS A 44 10.079 -4.877 6.176 1.00 2.00 C ATOM 678 CG LYS A 44 11.478 -4.324 5.810 1.00 2.00 C ATOM 679 CD LYS A 44 12.418 -4.129 7.023 1.00 2.00 C ATOM 680 CE LYS A 44 12.916 -5.405 7.729 1.00 2.00 C ATOM 681 NZ LYS A 44 13.890 -6.145 6.897 1.00 2.00 N ATOM 0 H LYS A 44 8.824 -2.940 5.248 1.00 2.00 H new ATOM 0 HA LYS A 44 9.647 -5.514 4.200 1.00 2.00 H new ATOM 0 HB2 LYS A 44 9.634 -4.225 6.928 1.00 2.00 H new ATOM 0 HB3 LYS A 44 10.203 -5.857 6.637 1.00 2.00 H new ATOM 0 HG2 LYS A 44 11.952 -5.004 5.103 1.00 2.00 H new ATOM 0 HG3 LYS A 44 11.357 -3.368 5.301 1.00 2.00 H new ATOM 0 HD2 LYS A 44 13.288 -3.563 6.691 1.00 2.00 H new ATOM 0 HD3 LYS A 44 11.900 -3.514 7.759 1.00 2.00 H new ATOM 0 HE2 LYS A 44 13.378 -5.138 8.680 1.00 2.00 H new ATOM 0 HE3 LYS A 44 12.067 -6.050 7.957 1.00 2.00 H new ATOM 0 HZ1 LYS A 44 14.203 -6.997 7.404 1.00 2.00 H new ATOM 0 HZ2 LYS A 44 13.442 -6.421 6.000 1.00 2.00 H new ATOM 0 HZ3 LYS A 44 14.711 -5.538 6.701 1.00 2.00 H new ATOM 694 N ASN A 45 7.359 -6.609 4.368 1.00 2.00 N ATOM 695 CA ASN A 45 6.170 -7.465 4.468 1.00 2.00 C ATOM 696 C ASN A 45 6.216 -8.615 5.531 1.00 2.00 C ATOM 697 O ASN A 45 6.994 -9.567 5.433 1.00 2.00 O ATOM 698 CB ASN A 45 5.838 -7.853 2.999 1.00 2.00 C ATOM 699 CG ASN A 45 6.632 -8.987 2.347 1.00 2.00 C ATOM 700 OD1 ASN A 45 7.740 -8.803 1.862 1.00 2.00 O ATOM 701 ND2 ASN A 45 6.094 -10.176 2.289 1.00 2.00 N ATOM 0 H ASN A 45 7.816 -6.661 3.458 1.00 2.00 H new ATOM 0 HA ASN A 45 5.333 -6.929 4.915 1.00 2.00 H new ATOM 0 HB2 ASN A 45 4.782 -8.121 2.957 1.00 2.00 H new ATOM 0 HB3 ASN A 45 5.966 -6.962 2.384 1.00 2.00 H new ATOM 0 HD21 ASN A 45 6.597 -10.942 1.842 1.00 2.00 H new ATOM 0 HD22 ASN A 45 5.171 -10.338 2.691 1.00 2.00 H new ATOM 708 N SER A 46 5.369 -8.487 6.562 1.00 2.00 N ATOM 709 CA SER A 46 5.275 -9.480 7.660 1.00 2.00 C ATOM 710 C SER A 46 4.426 -10.751 7.316 1.00 2.00 C ATOM 711 O SER A 46 3.898 -10.885 6.207 1.00 2.00 O ATOM 712 CB SER A 46 4.820 -8.679 8.910 1.00 2.00 C ATOM 713 OG SER A 46 4.933 -9.469 10.097 1.00 2.00 O ATOM 0 H SER A 46 4.730 -7.699 6.665 1.00 2.00 H new ATOM 0 HA SER A 46 6.240 -9.948 7.854 1.00 2.00 H new ATOM 0 HB2 SER A 46 5.426 -7.779 9.009 1.00 2.00 H new ATOM 0 HB3 SER A 46 3.787 -8.355 8.782 1.00 2.00 H new ATOM 0 HG SER A 46 4.642 -8.941 10.870 1.00 2.00 H new ATOM 719 N LEU A 47 4.289 -11.700 8.264 1.00 2.00 N ATOM 720 CA LEU A 47 3.497 -12.966 8.063 1.00 2.00 C ATOM 721 C LEU A 47 2.036 -12.805 7.488 1.00 2.00 C ATOM 722 O LEU A 47 1.510 -13.710 6.839 1.00 2.00 O ATOM 723 CB LEU A 47 3.475 -13.772 9.396 1.00 2.00 C ATOM 724 CG LEU A 47 4.822 -14.321 9.942 1.00 2.00 C ATOM 725 CD1 LEU A 47 4.626 -14.905 11.352 1.00 2.00 C ATOM 726 CD2 LEU A 47 5.429 -15.407 9.036 1.00 2.00 C ATOM 0 H LEU A 47 4.714 -11.628 9.188 1.00 2.00 H new ATOM 0 HA LEU A 47 4.021 -13.503 7.273 1.00 2.00 H new ATOM 0 HB2 LEU A 47 3.039 -13.133 10.164 1.00 2.00 H new ATOM 0 HB3 LEU A 47 2.800 -14.617 9.263 1.00 2.00 H new ATOM 0 HG LEU A 47 5.513 -13.478 9.969 1.00 2.00 H new ATOM 0 HD11 LEU A 47 5.577 -15.286 11.723 1.00 2.00 H new ATOM 0 HD12 LEU A 47 4.261 -14.126 12.021 1.00 2.00 H new ATOM 0 HD13 LEU A 47 3.900 -15.717 11.312 1.00 2.00 H new ATOM 0 HD21 LEU A 47 6.369 -15.755 9.465 1.00 2.00 H new ATOM 0 HD22 LEU A 47 4.735 -16.244 8.956 1.00 2.00 H new ATOM 0 HD23 LEU A 47 5.614 -14.993 8.045 1.00 2.00 H new ATOM 738 N LEU A 48 1.395 -11.659 7.761 1.00 2.00 N ATOM 739 CA LEU A 48 0.023 -11.324 7.302 1.00 2.00 C ATOM 740 C LEU A 48 -0.021 -10.326 6.079 1.00 2.00 C ATOM 741 O LEU A 48 -1.115 -9.856 5.751 1.00 2.00 O ATOM 742 CB LEU A 48 -0.729 -10.743 8.544 1.00 2.00 C ATOM 743 CG LEU A 48 -0.938 -11.665 9.781 1.00 2.00 C ATOM 744 CD1 LEU A 48 -1.451 -10.845 10.975 1.00 2.00 C ATOM 745 CD2 LEU A 48 -1.916 -12.816 9.497 1.00 2.00 C ATOM 0 H LEU A 48 1.818 -10.918 8.319 1.00 2.00 H new ATOM 0 HA LEU A 48 -0.458 -12.225 6.921 1.00 2.00 H new ATOM 0 HB2 LEU A 48 -0.186 -9.859 8.877 1.00 2.00 H new ATOM 0 HB3 LEU A 48 -1.711 -10.407 8.210 1.00 2.00 H new ATOM 0 HG LEU A 48 0.032 -12.102 10.016 1.00 2.00 H new ATOM 0 HD11 LEU A 48 -1.593 -11.502 11.833 1.00 2.00 H new ATOM 0 HD12 LEU A 48 -0.724 -10.073 11.225 1.00 2.00 H new ATOM 0 HD13 LEU A 48 -2.401 -10.378 10.714 1.00 2.00 H new ATOM 0 HD21 LEU A 48 -2.026 -13.429 10.392 1.00 2.00 H new ATOM 0 HD22 LEU A 48 -2.886 -12.408 9.215 1.00 2.00 H new ATOM 0 HD23 LEU A 48 -1.530 -13.429 8.683 1.00 2.00 H new ATOM 757 N VAL A 49 1.083 -10.020 5.344 1.00 2.00 N ATOM 758 CA VAL A 49 1.060 -9.068 4.182 1.00 2.00 C ATOM 759 C VAL A 49 2.178 -9.215 3.078 1.00 2.00 C ATOM 760 O VAL A 49 3.263 -9.750 3.297 1.00 2.00 O ATOM 761 CB VAL A 49 1.037 -7.613 4.814 1.00 2.00 C ATOM 762 CG1 VAL A 49 2.326 -7.182 5.552 1.00 2.00 C ATOM 763 CG2 VAL A 49 0.681 -6.477 3.843 1.00 2.00 C ATOM 0 H VAL A 49 2.004 -10.416 5.531 1.00 2.00 H new ATOM 0 HA VAL A 49 0.175 -9.306 3.592 1.00 2.00 H new ATOM 0 HB VAL A 49 0.232 -7.745 5.537 1.00 2.00 H new ATOM 0 HG11 VAL A 49 2.201 -6.173 5.944 1.00 2.00 H new ATOM 0 HG12 VAL A 49 2.521 -7.869 6.375 1.00 2.00 H new ATOM 0 HG13 VAL A 49 3.166 -7.200 4.858 1.00 2.00 H new ATOM 0 HG21 VAL A 49 0.693 -5.526 4.375 1.00 2.00 H new ATOM 0 HG22 VAL A 49 1.410 -6.449 3.033 1.00 2.00 H new ATOM 0 HG23 VAL A 49 -0.313 -6.649 3.431 1.00 2.00 H new ATOM 773 N LYS A 50 1.869 -8.677 1.886 1.00 2.00 N ATOM 774 CA LYS A 50 2.717 -8.641 0.655 1.00 2.00 C ATOM 775 C LYS A 50 2.184 -7.363 -0.107 1.00 2.00 C ATOM 776 O LYS A 50 1.470 -7.435 -1.107 1.00 2.00 O ATOM 777 CB LYS A 50 2.683 -9.975 -0.133 1.00 2.00 C ATOM 778 CG LYS A 50 3.551 -9.961 -1.416 1.00 2.00 C ATOM 779 CD LYS A 50 3.576 -11.308 -2.169 1.00 2.00 C ATOM 780 CE LYS A 50 4.231 -11.243 -3.562 1.00 2.00 C ATOM 781 NZ LYS A 50 5.694 -11.061 -3.475 1.00 2.00 N ATOM 0 H LYS A 50 0.968 -8.225 1.734 1.00 2.00 H new ATOM 0 HA LYS A 50 3.786 -8.553 0.848 1.00 2.00 H new ATOM 0 HB2 LYS A 50 3.024 -10.780 0.518 1.00 2.00 H new ATOM 0 HB3 LYS A 50 1.652 -10.200 -0.405 1.00 2.00 H new ATOM 0 HG2 LYS A 50 3.177 -9.188 -2.087 1.00 2.00 H new ATOM 0 HG3 LYS A 50 4.571 -9.686 -1.149 1.00 2.00 H new ATOM 0 HD2 LYS A 50 4.110 -12.040 -1.563 1.00 2.00 H new ATOM 0 HD3 LYS A 50 2.553 -11.669 -2.278 1.00 2.00 H new ATOM 0 HE2 LYS A 50 4.011 -12.159 -4.110 1.00 2.00 H new ATOM 0 HE3 LYS A 50 3.796 -10.420 -4.130 1.00 2.00 H new ATOM 0 HZ1 LYS A 50 6.097 -11.022 -4.433 1.00 2.00 H new ATOM 0 HZ2 LYS A 50 5.904 -10.174 -2.975 1.00 2.00 H new ATOM 0 HZ3 LYS A 50 6.113 -11.859 -2.956 1.00 2.00 H new ATOM 794 N TYR A 51 2.566 -6.173 0.384 1.00 2.00 N ATOM 795 CA TYR A 51 2.176 -4.845 -0.167 1.00 2.00 C ATOM 796 C TYR A 51 2.331 -4.510 -1.695 1.00 2.00 C ATOM 797 O TYR A 51 3.431 -4.516 -2.253 1.00 2.00 O ATOM 798 CB TYR A 51 2.985 -3.745 0.603 1.00 2.00 C ATOM 799 CG TYR A 51 3.122 -3.784 2.138 1.00 2.00 C ATOM 800 CD1 TYR A 51 2.154 -3.226 2.976 1.00 2.00 C ATOM 801 CD2 TYR A 51 4.294 -4.301 2.699 1.00 2.00 C ATOM 802 CE1 TYR A 51 2.371 -3.164 4.354 1.00 2.00 C ATOM 803 CE2 TYR A 51 4.498 -4.243 4.073 1.00 2.00 C ATOM 804 CZ TYR A 51 3.542 -3.672 4.899 1.00 2.00 C ATOM 805 OH TYR A 51 3.778 -3.575 6.243 1.00 2.00 O ATOM 0 H TYR A 51 3.173 -6.095 1.200 1.00 2.00 H new ATOM 0 HA TYR A 51 1.095 -4.874 -0.030 1.00 2.00 H new ATOM 0 HB2 TYR A 51 3.995 -3.747 0.193 1.00 2.00 H new ATOM 0 HB3 TYR A 51 2.539 -2.784 0.347 1.00 2.00 H new ATOM 0 HD1 TYR A 51 1.236 -2.842 2.557 1.00 2.00 H new ATOM 0 HD2 TYR A 51 5.044 -4.747 2.062 1.00 2.00 H new ATOM 0 HE1 TYR A 51 1.626 -2.720 4.997 1.00 2.00 H new ATOM 0 HE2 TYR A 51 5.406 -4.645 4.499 1.00 2.00 H new ATOM 0 HH TYR A 51 4.644 -3.983 6.453 1.00 2.00 H new ATOM 815 N VAL A 52 1.212 -4.172 -2.352 1.00 2.00 N ATOM 816 CA VAL A 52 1.165 -3.806 -3.804 1.00 2.00 C ATOM 817 C VAL A 52 1.072 -2.236 -3.742 1.00 2.00 C ATOM 818 O VAL A 52 0.370 -1.644 -2.916 1.00 2.00 O ATOM 819 CB VAL A 52 0.098 -4.633 -4.591 1.00 2.00 C ATOM 820 CG1 VAL A 52 -0.264 -4.048 -5.975 1.00 2.00 C ATOM 821 CG2 VAL A 52 0.608 -6.073 -4.833 1.00 2.00 C ATOM 0 H VAL A 52 0.298 -4.140 -1.900 1.00 2.00 H new ATOM 0 HA VAL A 52 2.026 -4.077 -4.416 1.00 2.00 H new ATOM 0 HB VAL A 52 -0.793 -4.606 -3.963 1.00 2.00 H new ATOM 0 HG11 VAL A 52 -1.010 -4.682 -6.454 1.00 2.00 H new ATOM 0 HG12 VAL A 52 -0.667 -3.043 -5.851 1.00 2.00 H new ATOM 0 HG13 VAL A 52 0.630 -4.006 -6.597 1.00 2.00 H new ATOM 0 HG21 VAL A 52 -0.145 -6.638 -5.382 1.00 2.00 H new ATOM 0 HG22 VAL A 52 1.531 -6.040 -5.412 1.00 2.00 H new ATOM 0 HG23 VAL A 52 0.798 -6.557 -3.875 1.00 2.00 H new ATOM 831 N CYS A 53 1.756 -1.518 -4.637 1.00 2.00 N ATOM 832 CA CYS A 53 1.755 -0.025 -4.649 1.00 2.00 C ATOM 833 C CYS A 53 2.069 0.717 -5.986 1.00 2.00 C ATOM 834 O CYS A 53 2.700 0.160 -6.889 1.00 2.00 O ATOM 835 CB CYS A 53 3.008 0.160 -3.725 1.00 2.00 C ATOM 836 SG CYS A 53 4.392 -0.897 -4.311 1.00 2.00 S ATOM 0 H CYS A 53 2.325 -1.936 -5.373 1.00 2.00 H new ATOM 0 HA CYS A 53 0.773 0.374 -4.395 1.00 2.00 H new ATOM 0 HB2 CYS A 53 3.316 1.206 -3.722 1.00 2.00 H new ATOM 0 HB3 CYS A 53 2.753 -0.100 -2.698 1.00 2.00 H new ATOM 841 N CYS A 54 1.647 1.996 -6.093 1.00 2.00 N ATOM 842 CA CYS A 54 1.883 2.834 -7.304 1.00 2.00 C ATOM 843 C CYS A 54 2.038 4.357 -6.916 1.00 2.00 C ATOM 844 O CYS A 54 1.208 4.955 -6.229 1.00 2.00 O ATOM 845 CB CYS A 54 1.023 2.455 -8.523 1.00 2.00 C ATOM 846 SG CYS A 54 -0.741 2.449 -8.230 1.00 2.00 S ATOM 0 H CYS A 54 1.137 2.479 -5.353 1.00 2.00 H new ATOM 0 HA CYS A 54 2.859 2.588 -7.723 1.00 2.00 H new ATOM 0 HB2 CYS A 54 1.239 3.152 -9.332 1.00 2.00 H new ATOM 0 HB3 CYS A 54 1.323 1.465 -8.867 1.00 2.00 H new ATOM 851 N ASN A 55 3.144 4.950 -7.393 1.00 2.00 N ATOM 852 CA ASN A 55 3.613 6.368 -7.214 1.00 2.00 C ATOM 853 C ASN A 55 2.743 7.678 -7.288 1.00 2.00 C ATOM 854 O ASN A 55 3.332 8.760 -7.392 1.00 2.00 O ATOM 855 CB ASN A 55 4.795 6.492 -8.247 1.00 2.00 C ATOM 856 CG ASN A 55 5.996 5.539 -8.153 1.00 2.00 C ATOM 857 OD1 ASN A 55 5.963 4.426 -8.662 1.00 2.00 O ATOM 858 ND2 ASN A 55 7.070 5.913 -7.510 1.00 2.00 N ATOM 0 H ASN A 55 3.802 4.420 -7.965 1.00 2.00 H new ATOM 0 HA ASN A 55 3.762 6.410 -6.135 1.00 2.00 H new ATOM 0 HB2 ASN A 55 4.368 6.380 -9.244 1.00 2.00 H new ATOM 0 HB3 ASN A 55 5.181 7.509 -8.178 1.00 2.00 H new ATOM 0 HD21 ASN A 55 7.867 5.281 -7.437 1.00 2.00 H new ATOM 0 HD22 ASN A 55 7.112 6.837 -7.081 1.00 2.00 H new ATOM 865 N THR A 56 1.405 7.675 -7.213 1.00 2.00 N ATOM 866 CA THR A 56 0.610 8.946 -7.289 1.00 2.00 C ATOM 867 C THR A 56 -0.718 8.946 -6.462 1.00 2.00 C ATOM 868 O THR A 56 -1.097 7.983 -5.790 1.00 2.00 O ATOM 869 CB THR A 56 0.455 9.355 -8.804 1.00 2.00 C ATOM 870 OG1 THR A 56 0.005 10.701 -8.925 1.00 2.00 O ATOM 871 CG2 THR A 56 -0.509 8.508 -9.651 1.00 2.00 C ATOM 0 H THR A 56 0.842 6.832 -7.102 1.00 2.00 H new ATOM 0 HA THR A 56 1.168 9.731 -6.779 1.00 2.00 H new ATOM 0 HB THR A 56 1.461 9.194 -9.191 1.00 2.00 H new ATOM 0 HG1 THR A 56 -0.082 10.933 -9.873 1.00 2.00 H new ATOM 0 HG21 THR A 56 -0.527 8.889 -10.672 1.00 2.00 H new ATOM 0 HG22 THR A 56 -0.173 7.471 -9.657 1.00 2.00 H new ATOM 0 HG23 THR A 56 -1.511 8.562 -9.225 1.00 2.00 H new ATOM 879 N ASP A 57 -1.407 10.099 -6.478 1.00 2.00 N ATOM 880 CA ASP A 57 -2.691 10.313 -5.761 1.00 2.00 C ATOM 881 C ASP A 57 -3.834 9.385 -6.278 1.00 2.00 C ATOM 882 O ASP A 57 -4.133 9.345 -7.474 1.00 2.00 O ATOM 883 CB ASP A 57 -3.099 11.808 -5.895 1.00 2.00 C ATOM 884 CG ASP A 57 -2.156 12.823 -5.248 1.00 2.00 C ATOM 885 OD1 ASP A 57 -1.997 12.919 -4.036 1.00 2.00 O ATOM 886 OD2 ASP A 57 -1.511 13.595 -6.169 1.00 2.00 O ATOM 0 H ASP A 57 -1.092 10.922 -6.992 1.00 2.00 H new ATOM 0 HA ASP A 57 -2.539 10.054 -4.713 1.00 2.00 H new ATOM 0 HB2 ASP A 57 -3.185 12.047 -6.955 1.00 2.00 H new ATOM 0 HB3 ASP A 57 -4.090 11.934 -5.459 1.00 2.00 H new ATOM 892 N ARG A 58 -4.436 8.612 -5.361 1.00 2.00 N ATOM 893 CA ARG A 58 -5.551 7.657 -5.662 1.00 2.00 C ATOM 894 C ARG A 58 -5.216 6.441 -6.603 1.00 2.00 C ATOM 895 O ARG A 58 -6.128 5.787 -7.116 1.00 2.00 O ATOM 896 CB ARG A 58 -6.816 8.469 -6.091 1.00 2.00 C ATOM 897 CG ARG A 58 -7.347 9.501 -5.050 1.00 2.00 C ATOM 898 CD ARG A 58 -8.699 10.137 -5.420 1.00 2.00 C ATOM 899 NE ARG A 58 -9.761 9.103 -5.271 1.00 2.00 N ATOM 900 CZ ARG A 58 -10.937 9.091 -5.876 1.00 2.00 C ATOM 901 NH1 ARG A 58 -11.366 10.031 -6.667 1.00 2.00 N ATOM 902 NH2 ARG A 58 -11.707 8.084 -5.645 1.00 2.00 N ATOM 0 H ARG A 58 -4.171 8.621 -4.376 1.00 2.00 H new ATOM 0 HA ARG A 58 -5.755 7.126 -4.733 1.00 2.00 H new ATOM 0 HB2 ARG A 58 -6.587 8.999 -7.016 1.00 2.00 H new ATOM 0 HB3 ARG A 58 -7.617 7.765 -6.317 1.00 2.00 H new ATOM 0 HG2 ARG A 58 -7.444 9.007 -4.083 1.00 2.00 H new ATOM 0 HG3 ARG A 58 -6.607 10.292 -4.931 1.00 2.00 H new ATOM 0 HD2 ARG A 58 -8.907 10.990 -4.774 1.00 2.00 H new ATOM 0 HD3 ARG A 58 -8.675 10.511 -6.443 1.00 2.00 H new ATOM 0 HE ARG A 58 -9.561 8.327 -4.640 1.00 2.00 H new ATOM 0 HH11 ARG A 58 -10.782 10.846 -6.855 1.00 2.00 H new ATOM 0 HH12 ARG A 58 -12.287 9.953 -7.099 1.00 2.00 H new ATOM 0 HH21 ARG A 58 -11.400 7.340 -5.018 1.00 2.00 H new ATOM 0 HH22 ARG A 58 -12.624 8.031 -6.089 1.00 2.00 H new ATOM 916 N CYS A 59 -3.928 6.092 -6.777 1.00 2.00 N ATOM 917 CA CYS A 59 -3.496 4.962 -7.639 1.00 2.00 C ATOM 918 C CYS A 59 -3.803 3.503 -7.119 1.00 2.00 C ATOM 919 O CYS A 59 -3.813 2.559 -7.911 1.00 2.00 O ATOM 920 CB CYS A 59 -2.014 5.226 -7.940 1.00 2.00 C ATOM 921 SG CYS A 59 -1.508 4.025 -9.173 1.00 2.00 S ATOM 0 H CYS A 59 -3.154 6.581 -6.327 1.00 2.00 H new ATOM 0 HA CYS A 59 -4.104 4.951 -8.543 1.00 2.00 H new ATOM 0 HB2 CYS A 59 -1.870 6.242 -8.309 1.00 2.00 H new ATOM 0 HB3 CYS A 59 -1.413 5.127 -7.036 1.00 2.00 H new ATOM 926 N ASN A 60 -4.055 3.307 -5.813 1.00 2.00 N ATOM 927 CA ASN A 60 -4.361 1.985 -5.204 1.00 2.00 C ATOM 928 C ASN A 60 -5.807 1.482 -5.538 1.00 2.00 C ATOM 929 O ASN A 60 -6.808 1.692 -4.852 1.00 2.00 O ATOM 930 CB ASN A 60 -4.084 2.003 -3.672 1.00 2.00 C ATOM 931 CG ASN A 60 -4.563 3.187 -2.819 1.00 2.00 C ATOM 932 OD1 ASN A 60 -5.312 4.061 -3.233 1.00 2.00 O ATOM 933 ND2 ASN A 60 -4.114 3.290 -1.602 1.00 2.00 N ATOM 934 OXT ASN A 60 -5.846 0.729 -6.675 1.00 0.00 O ATOM 0 H ASN A 60 -4.054 4.069 -5.135 1.00 2.00 H new ATOM 0 HA ASN A 60 -3.686 1.259 -5.657 1.00 2.00 H new ATOM 0 HB2 ASN A 60 -4.527 1.100 -3.252 1.00 2.00 H new ATOM 0 HB3 ASN A 60 -3.006 1.921 -3.537 1.00 2.00 H new ATOM 0 HD21 ASN A 60 -4.388 4.083 -1.023 1.00 2.00 H new ATOM 0 HD22 ASN A 60 -3.488 2.577 -1.227 1.00 2.00 H new