USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 660 hydrogens (21 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.438 USER MOD Single : A 4 THR OG1 : rot 130:sc= -0.283 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 92:sc= 0.98 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.73 K(o=-1.7,f=-0.66) USER MOD Single : A 17 SER OG : rot 57:sc= 0.905 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -1.85 K(o=-1.8,f=0.8) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.26) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -4.21 K(o=-4.2,f=-13!) USER MOD Single : A 30 THR OG1 : rot -43:sc= 1.18 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0245 X(o=-0.025,f=-0.4) USER MOD Single : A 54 THR OG1 : rot -61:sc= 0.789 USER MOD Single : A 56 SER OG : rot 40:sc= 0.112 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 62 LYS NZ :NH3+ -151:sc= -0.0398 (180deg=-0.424) USER MOD Single : A 64 ASN : amide:sc= -8.01! C(o=-8!,f=-11!) USER MOD Single : A 65 THR OG1 : rot -145:sc= -0.181 USER MOD Single : A 67 GLN : amide:sc= 0.499 X(o=0.5,f=0) USER MOD Single : A 72 TYR OH : rot 120:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0262 K(o=-0.026,f=-1.2) USER MOD Single : A 77 ASN : amide:sc= -0.375 X(o=-0.37,f=-0.059) USER MOD Single : A 78 LYS NZ :NH3+ 163:sc= -0.0111 (180deg=-0.128) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 PNS O33 : rot -101:sc= -0.0126 USER MOD Single : A 137 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.240 1.876 -1.403 1.00 0.00 N ATOM 2 CA LEU A 1 2.329 1.754 -2.366 1.00 0.00 C ATOM 3 C LEU A 1 2.615 0.289 -2.683 1.00 0.00 C ATOM 4 O LEU A 1 2.303 -0.194 -3.771 1.00 0.00 O ATOM 5 CB LEU A 1 3.592 2.426 -1.825 1.00 0.00 C ATOM 6 CG LEU A 1 3.630 3.952 -1.911 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.652 4.517 -0.937 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.941 4.398 -3.333 1.00 0.00 C ATOM 0 H1 LEU A 1 1.064 2.881 -1.203 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.379 1.445 -1.796 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.500 1.388 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 1 2.025 2.253 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.714 2.138 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.451 2.030 -2.367 1.00 0.00 H new ATOM 0 HG LEU A 1 2.648 4.337 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.665 5.604 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.385 4.227 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.640 4.125 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.964 5.487 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.911 4.002 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.171 4.025 -4.008 1.00 0.00 H new ATOM 20 N LYS A 2 3.208 -0.413 -1.724 1.00 0.00 N ATOM 21 CA LYS A 2 3.533 -1.824 -1.898 1.00 0.00 C ATOM 22 C LYS A 2 4.696 -1.999 -2.870 1.00 0.00 C ATOM 23 O LYS A 2 5.795 -2.386 -2.474 1.00 0.00 O ATOM 24 CB LYS A 2 2.310 -2.591 -2.405 1.00 0.00 C ATOM 25 CG LYS A 2 2.369 -4.083 -2.125 1.00 0.00 C ATOM 26 CD LYS A 2 1.582 -4.875 -3.156 1.00 0.00 C ATOM 27 CE LYS A 2 1.619 -6.367 -2.859 1.00 0.00 C ATOM 28 NZ LYS A 2 0.333 -7.033 -3.207 1.00 0.00 N ATOM 0 H LYS A 2 3.474 -0.028 -0.818 1.00 0.00 H new ATOM 0 HA LYS A 2 3.830 -2.225 -0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.414 -2.178 -1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.213 -2.435 -3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.408 -4.414 -2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.972 -4.283 -1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.548 -4.531 -3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.992 -4.690 -4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.431 -6.829 -3.420 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.834 -6.522 -1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.398 -8.048 -2.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.438 -6.609 -2.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.140 -6.907 -4.221 1.00 0.00 H new ATOM 42 N SER A 3 4.445 -1.709 -4.143 1.00 0.00 N ATOM 43 CA SER A 3 5.471 -1.837 -5.172 1.00 0.00 C ATOM 44 C SER A 3 4.923 -1.433 -6.537 1.00 0.00 C ATOM 45 O SER A 3 3.766 -1.030 -6.662 1.00 0.00 O ATOM 46 CB SER A 3 5.995 -3.273 -5.224 1.00 0.00 C ATOM 47 OG SER A 3 5.096 -4.167 -4.590 1.00 0.00 O ATOM 0 H SER A 3 3.541 -1.384 -4.486 1.00 0.00 H new ATOM 0 HA SER A 3 6.293 -1.168 -4.917 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.140 -3.573 -6.262 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.969 -3.326 -4.738 1.00 0.00 H new ATOM 0 HG SER A 3 5.453 -5.078 -4.638 1.00 0.00 H new ATOM 53 N THR A 4 5.764 -1.544 -7.561 1.00 0.00 N ATOM 54 CA THR A 4 5.366 -1.189 -8.918 1.00 0.00 C ATOM 55 C THR A 4 4.059 -1.872 -9.304 1.00 0.00 C ATOM 56 O THR A 4 3.236 -1.301 -10.019 1.00 0.00 O ATOM 57 CB THR A 4 6.454 -1.572 -9.940 1.00 0.00 C ATOM 58 OG1 THR A 4 6.078 -1.123 -11.247 1.00 0.00 O ATOM 59 CG2 THR A 4 6.673 -3.077 -9.958 1.00 0.00 C ATOM 0 H THR A 4 6.724 -1.877 -7.476 1.00 0.00 H new ATOM 0 HA THR A 4 5.226 -0.108 -8.934 1.00 0.00 H new ATOM 0 HB THR A 4 7.386 -1.089 -9.645 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.822 -0.628 -11.649 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.445 -3.324 -10.687 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.987 -3.411 -8.969 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.744 -3.577 -10.231 1.00 0.00 H new ATOM 67 N PHE A 5 3.874 -3.098 -8.826 1.00 0.00 N ATOM 68 CA PHE A 5 2.666 -3.860 -9.122 1.00 0.00 C ATOM 69 C PHE A 5 1.418 -3.021 -8.864 1.00 0.00 C ATOM 70 O PHE A 5 0.471 -3.039 -9.651 1.00 0.00 O ATOM 71 CB PHE A 5 2.622 -5.135 -8.277 1.00 0.00 C ATOM 72 CG PHE A 5 1.350 -5.917 -8.439 1.00 0.00 C ATOM 73 CD1 PHE A 5 0.676 -5.927 -9.650 1.00 0.00 C ATOM 74 CD2 PHE A 5 0.828 -6.644 -7.381 1.00 0.00 C ATOM 75 CE1 PHE A 5 -0.494 -6.645 -9.801 1.00 0.00 C ATOM 76 CE2 PHE A 5 -0.342 -7.364 -7.526 1.00 0.00 C ATOM 77 CZ PHE A 5 -1.004 -7.366 -8.739 1.00 0.00 C ATOM 0 H PHE A 5 4.545 -3.585 -8.232 1.00 0.00 H new ATOM 0 HA PHE A 5 2.687 -4.133 -10.177 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.466 -5.770 -8.547 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.745 -4.870 -7.227 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.070 -5.367 -10.485 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.342 -6.648 -6.431 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.010 -6.643 -10.750 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.739 -7.925 -6.692 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.918 -7.930 -8.856 1.00 0.00 H new ATOM 87 N ASP A 6 1.424 -2.289 -7.755 1.00 0.00 N ATOM 88 CA ASP A 6 0.293 -1.443 -7.392 1.00 0.00 C ATOM 89 C ASP A 6 -0.096 -0.529 -8.550 1.00 0.00 C ATOM 90 O ASP A 6 -1.120 -0.737 -9.202 1.00 0.00 O ATOM 91 CB ASP A 6 0.630 -0.607 -6.157 1.00 0.00 C ATOM 92 CG ASP A 6 -0.531 0.259 -5.709 1.00 0.00 C ATOM 93 OD1 ASP A 6 -1.400 -0.249 -4.968 1.00 0.00 O ATOM 94 OD2 ASP A 6 -0.572 1.444 -6.098 1.00 0.00 O ATOM 0 H ASP A 6 2.199 -2.265 -7.092 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.554 -2.090 -7.163 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.921 -1.270 -5.342 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.490 0.027 -6.375 1.00 0.00 H new ATOM 99 N ASP A 7 0.726 0.484 -8.799 1.00 0.00 N ATOM 100 CA ASP A 7 0.469 1.430 -9.878 1.00 0.00 C ATOM 101 C ASP A 7 0.205 0.699 -11.191 1.00 0.00 C ATOM 102 O ASP A 7 -0.507 1.203 -12.060 1.00 0.00 O ATOM 103 CB ASP A 7 1.652 2.385 -10.041 1.00 0.00 C ATOM 104 CG ASP A 7 1.768 3.366 -8.890 1.00 0.00 C ATOM 105 OD1 ASP A 7 2.348 2.992 -7.849 1.00 0.00 O ATOM 106 OD2 ASP A 7 1.277 4.506 -9.030 1.00 0.00 O ATOM 0 H ASP A 7 1.576 0.671 -8.268 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.419 2.006 -9.618 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.573 1.808 -10.117 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.544 2.936 -10.975 1.00 0.00 H new ATOM 111 N ILE A 8 0.783 -0.489 -11.327 1.00 0.00 N ATOM 112 CA ILE A 8 0.610 -1.289 -12.533 1.00 0.00 C ATOM 113 C ILE A 8 -0.804 -1.853 -12.621 1.00 0.00 C ATOM 114 O ILE A 8 -1.390 -1.926 -13.701 1.00 0.00 O ATOM 115 CB ILE A 8 1.619 -2.451 -12.587 1.00 0.00 C ATOM 116 CG1 ILE A 8 3.009 -1.932 -12.960 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.157 -3.507 -13.581 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.095 -2.978 -12.845 1.00 0.00 C ATOM 0 H ILE A 8 1.375 -0.919 -10.617 1.00 0.00 H new ATOM 0 HA ILE A 8 0.787 -0.626 -13.380 1.00 0.00 H new ATOM 0 HB ILE A 8 1.677 -2.909 -11.600 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.985 -1.556 -13.983 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.258 -1.089 -12.316 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.880 -4.322 -13.608 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.185 -3.894 -13.275 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.074 -3.062 -14.573 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.053 -2.540 -13.125 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.146 -3.338 -11.817 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.869 -3.812 -13.510 1.00 0.00 H new ATOM 130 N LYS A 9 -1.349 -2.250 -11.475 1.00 0.00 N ATOM 131 CA LYS A 9 -2.696 -2.805 -11.420 1.00 0.00 C ATOM 132 C LYS A 9 -3.740 -1.728 -11.701 1.00 0.00 C ATOM 133 O LYS A 9 -4.848 -2.025 -12.147 1.00 0.00 O ATOM 134 CB LYS A 9 -2.954 -3.435 -10.050 1.00 0.00 C ATOM 135 CG LYS A 9 -3.618 -2.492 -9.061 1.00 0.00 C ATOM 136 CD LYS A 9 -3.302 -2.877 -7.626 1.00 0.00 C ATOM 137 CE LYS A 9 -4.227 -3.976 -7.127 1.00 0.00 C ATOM 138 NZ LYS A 9 -5.117 -3.498 -6.033 1.00 0.00 N ATOM 0 H LYS A 9 -0.878 -2.197 -10.572 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.777 -3.574 -12.188 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.583 -4.316 -10.177 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.007 -3.777 -9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.282 -1.472 -9.248 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.697 -2.505 -9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.267 -3.212 -7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.396 -2.001 -6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.834 -4.343 -7.955 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.632 -4.817 -6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.732 -4.276 -5.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.539 -3.171 -5.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.703 -2.712 -6.381 1.00 0.00 H new ATOM 152 N LYS A 10 -3.378 -0.477 -11.438 1.00 0.00 N ATOM 153 CA LYS A 10 -4.281 0.645 -11.665 1.00 0.00 C ATOM 154 C LYS A 10 -4.347 1.000 -13.147 1.00 0.00 C ATOM 155 O LYS A 10 -5.431 1.148 -13.712 1.00 0.00 O ATOM 156 CB LYS A 10 -3.828 1.863 -10.857 1.00 0.00 C ATOM 157 CG LYS A 10 -3.269 1.511 -9.489 1.00 0.00 C ATOM 158 CD LYS A 10 -3.335 2.695 -8.538 1.00 0.00 C ATOM 159 CE LYS A 10 -4.618 2.682 -7.721 1.00 0.00 C ATOM 160 NZ LYS A 10 -4.359 2.943 -6.278 1.00 0.00 N ATOM 0 H LYS A 10 -2.465 -0.214 -11.067 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.277 0.349 -11.336 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.068 2.402 -11.423 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.673 2.540 -10.732 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.829 0.675 -9.070 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.235 1.182 -9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.475 2.673 -7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.273 3.623 -9.106 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.303 3.436 -8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.110 1.716 -7.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.258 2.926 -5.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.725 2.210 -5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.913 3.876 -6.169 1.00 0.00 H new ATOM 174 N ILE A 11 -3.181 1.134 -13.770 1.00 0.00 N ATOM 175 CA ILE A 11 -3.107 1.469 -15.186 1.00 0.00 C ATOM 176 C ILE A 11 -3.783 0.402 -16.040 1.00 0.00 C ATOM 177 O ILE A 11 -4.489 0.716 -16.999 1.00 0.00 O ATOM 178 CB ILE A 11 -1.647 1.633 -15.651 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.828 0.396 -15.274 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.035 2.886 -15.042 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.639 0.515 -15.622 1.00 0.00 C ATOM 0 H ILE A 11 -2.275 1.016 -13.316 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.629 2.417 -15.313 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.635 1.737 -16.736 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.926 0.218 -14.203 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.244 -0.474 -15.782 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.004 2.988 -15.380 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.607 3.759 -15.355 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.055 2.809 -13.955 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.158 -0.397 -15.327 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.747 0.663 -16.697 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.070 1.365 -15.094 1.00 0.00 H new ATOM 193 N ILE A 12 -3.565 -0.859 -15.684 1.00 0.00 N ATOM 194 CA ILE A 12 -4.156 -1.972 -16.415 1.00 0.00 C ATOM 195 C ILE A 12 -5.644 -2.103 -16.110 1.00 0.00 C ATOM 196 O ILE A 12 -6.426 -2.542 -16.953 1.00 0.00 O ATOM 197 CB ILE A 12 -3.456 -3.302 -16.079 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.753 -3.709 -14.634 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.956 -3.183 -16.304 1.00 0.00 C ATOM 200 CD1 ILE A 12 -3.122 -5.025 -14.235 1.00 0.00 C ATOM 0 H ILE A 12 -2.983 -1.135 -14.893 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.023 -1.758 -17.475 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.843 -4.076 -16.742 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.397 -2.927 -13.964 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.832 -3.777 -14.499 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.475 -4.131 -16.062 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.763 -2.934 -17.348 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.553 -2.398 -15.664 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.374 -5.250 -13.199 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.497 -5.819 -14.881 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.039 -4.955 -14.338 1.00 0.00 H new ATOM 212 N SER A 13 -6.030 -1.717 -14.897 1.00 0.00 N ATOM 213 CA SER A 13 -7.424 -1.792 -14.479 1.00 0.00 C ATOM 214 C SER A 13 -8.292 -0.848 -15.306 1.00 0.00 C ATOM 215 O SER A 13 -9.452 -1.142 -15.593 1.00 0.00 O ATOM 216 CB SER A 13 -7.552 -1.451 -12.993 1.00 0.00 C ATOM 217 OG SER A 13 -7.468 -2.617 -12.192 1.00 0.00 O ATOM 0 H SER A 13 -5.396 -1.349 -14.187 1.00 0.00 H new ATOM 0 HA SER A 13 -7.771 -2.812 -14.642 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.765 -0.753 -12.708 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.503 -0.950 -12.812 1.00 0.00 H new ATOM 0 HG SER A 13 -6.535 -2.769 -11.933 1.00 0.00 H new ATOM 223 N LYS A 14 -7.720 0.289 -15.686 1.00 0.00 N ATOM 224 CA LYS A 14 -8.437 1.279 -16.481 1.00 0.00 C ATOM 225 C LYS A 14 -8.127 1.113 -17.965 1.00 0.00 C ATOM 226 O LYS A 14 -8.930 1.484 -18.821 1.00 0.00 O ATOM 227 CB LYS A 14 -8.069 2.693 -16.027 1.00 0.00 C ATOM 228 CG LYS A 14 -8.689 3.787 -16.880 1.00 0.00 C ATOM 229 CD LYS A 14 -7.720 4.282 -17.941 1.00 0.00 C ATOM 230 CE LYS A 14 -8.447 5.003 -19.065 1.00 0.00 C ATOM 231 NZ LYS A 14 -7.887 4.655 -20.401 1.00 0.00 N ATOM 0 H LYS A 14 -6.761 0.548 -15.456 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.505 1.123 -16.331 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.385 2.827 -14.993 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.984 2.801 -16.045 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.592 3.409 -17.359 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.990 4.619 -16.244 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.993 4.955 -17.486 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.163 3.439 -18.349 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.506 4.745 -19.037 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.377 6.080 -18.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.409 5.167 -21.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.883 4.924 -20.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.977 3.631 -20.559 1.00 0.00 H new ATOM 245 N GLN A 15 -6.958 0.554 -18.262 1.00 0.00 N ATOM 246 CA GLN A 15 -6.543 0.339 -19.643 1.00 0.00 C ATOM 247 C GLN A 15 -7.373 -0.762 -20.296 1.00 0.00 C ATOM 248 O GLN A 15 -8.063 -0.527 -21.289 1.00 0.00 O ATOM 249 CB GLN A 15 -5.058 -0.023 -19.702 1.00 0.00 C ATOM 250 CG GLN A 15 -4.590 -0.450 -21.083 1.00 0.00 C ATOM 251 CD GLN A 15 -5.164 0.416 -22.187 1.00 0.00 C ATOM 252 OE1 GLN A 15 -5.638 -0.089 -23.205 1.00 0.00 O ATOM 253 NE2 GLN A 15 -5.124 1.729 -21.992 1.00 0.00 N ATOM 0 H GLN A 15 -6.282 0.242 -17.565 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.706 1.266 -20.193 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.470 0.836 -19.378 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.861 -0.829 -18.995 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.502 -0.408 -21.123 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.876 -1.488 -21.255 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.722 2.105 -21.133 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.495 2.361 -22.701 1.00 0.00 H new ATOM 262 N LEU A 16 -7.302 -1.963 -19.733 1.00 0.00 N ATOM 263 CA LEU A 16 -8.046 -3.101 -20.260 1.00 0.00 C ATOM 264 C LEU A 16 -9.212 -3.460 -19.345 1.00 0.00 C ATOM 265 O LEU A 16 -10.376 -3.293 -19.711 1.00 0.00 O ATOM 266 CB LEU A 16 -7.122 -4.308 -20.424 1.00 0.00 C ATOM 267 CG LEU A 16 -5.777 -4.037 -21.101 1.00 0.00 C ATOM 268 CD1 LEU A 16 -4.700 -3.774 -20.061 1.00 0.00 C ATOM 269 CD2 LEU A 16 -5.385 -5.205 -21.994 1.00 0.00 C ATOM 0 H LEU A 16 -6.736 -2.174 -18.911 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.446 -2.822 -21.235 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.931 -4.731 -19.438 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.649 -5.068 -21.000 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.877 -3.148 -21.723 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.750 -3.583 -20.561 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.976 -2.906 -19.463 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.600 -4.644 -19.412 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.426 -4.995 -22.467 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.303 -6.111 -21.393 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.145 -5.347 -22.762 1.00 0.00 H new ATOM 281 N SER A 17 -8.893 -3.952 -18.152 1.00 0.00 N ATOM 282 CA SER A 17 -9.914 -4.336 -17.185 1.00 0.00 C ATOM 283 C SER A 17 -9.277 -4.855 -15.900 1.00 0.00 C ATOM 284 O SER A 17 -9.478 -4.295 -14.822 1.00 0.00 O ATOM 285 CB SER A 17 -10.834 -5.403 -17.779 1.00 0.00 C ATOM 286 OG SER A 17 -12.044 -4.832 -18.245 1.00 0.00 O ATOM 0 H SER A 17 -7.935 -4.094 -17.832 1.00 0.00 H new ATOM 0 HA SER A 17 -10.504 -3.451 -16.946 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.327 -5.908 -18.601 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.052 -6.160 -17.026 1.00 0.00 H new ATOM 0 HG SER A 17 -11.844 -4.135 -18.905 1.00 0.00 H new ATOM 292 N VAL A 18 -8.507 -5.932 -16.022 1.00 0.00 N ATOM 293 CA VAL A 18 -7.838 -6.528 -14.872 1.00 0.00 C ATOM 294 C VAL A 18 -7.105 -7.806 -15.264 1.00 0.00 C ATOM 295 O VAL A 18 -7.727 -8.841 -15.503 1.00 0.00 O ATOM 296 CB VAL A 18 -8.838 -6.848 -13.745 1.00 0.00 C ATOM 297 CG1 VAL A 18 -10.096 -7.487 -14.313 1.00 0.00 C ATOM 298 CG2 VAL A 18 -8.195 -7.752 -12.703 1.00 0.00 C ATOM 0 H VAL A 18 -8.331 -6.409 -16.906 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.117 -5.795 -14.511 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.121 -5.915 -13.258 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.791 -7.706 -13.502 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.566 -6.801 -15.018 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.834 -8.412 -14.826 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.916 -7.968 -11.914 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.882 -8.684 -13.173 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.326 -7.252 -12.274 1.00 0.00 H new ATOM 308 N GLU A 19 -5.780 -7.726 -15.327 1.00 0.00 N ATOM 309 CA GLU A 19 -4.962 -8.878 -15.690 1.00 0.00 C ATOM 310 C GLU A 19 -3.657 -8.890 -14.899 1.00 0.00 C ATOM 311 O GLU A 19 -2.581 -8.676 -15.454 1.00 0.00 O ATOM 312 CB GLU A 19 -4.661 -8.864 -17.190 1.00 0.00 C ATOM 313 CG GLU A 19 -5.784 -9.432 -18.042 1.00 0.00 C ATOM 314 CD GLU A 19 -6.047 -8.606 -19.286 1.00 0.00 C ATOM 315 OE1 GLU A 19 -6.239 -7.379 -19.155 1.00 0.00 O ATOM 316 OE2 GLU A 19 -6.061 -9.188 -20.391 1.00 0.00 O ATOM 0 H GLU A 19 -5.250 -6.877 -15.132 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.522 -9.781 -15.447 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.462 -7.839 -17.502 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.751 -9.436 -17.375 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.533 -10.452 -18.334 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.695 -9.486 -17.447 1.00 0.00 H new ATOM 323 N GLU A 20 -3.764 -9.142 -13.598 1.00 0.00 N ATOM 324 CA GLU A 20 -2.593 -9.181 -12.730 1.00 0.00 C ATOM 325 C GLU A 20 -2.182 -10.621 -12.434 1.00 0.00 C ATOM 326 O GLU A 20 -1.115 -10.871 -11.875 1.00 0.00 O ATOM 327 CB GLU A 20 -2.876 -8.441 -11.421 1.00 0.00 C ATOM 328 CG GLU A 20 -4.193 -8.832 -10.773 1.00 0.00 C ATOM 329 CD GLU A 20 -4.041 -9.178 -9.304 1.00 0.00 C ATOM 330 OE1 GLU A 20 -3.324 -10.152 -8.996 1.00 0.00 O ATOM 331 OE2 GLU A 20 -4.639 -8.474 -8.464 1.00 0.00 O ATOM 0 H GLU A 20 -4.648 -9.322 -13.123 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.772 -8.686 -13.249 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.064 -8.636 -10.720 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.880 -7.368 -11.614 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.903 -8.011 -10.877 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.614 -9.687 -11.302 1.00 0.00 H new ATOM 338 N ASP A 21 -3.038 -11.563 -12.813 1.00 0.00 N ATOM 339 CA ASP A 21 -2.766 -12.978 -12.590 1.00 0.00 C ATOM 340 C ASP A 21 -2.167 -13.620 -13.837 1.00 0.00 C ATOM 341 O ASP A 21 -2.420 -14.789 -14.130 1.00 0.00 O ATOM 342 CB ASP A 21 -4.048 -13.710 -12.190 1.00 0.00 C ATOM 343 CG ASP A 21 -3.783 -15.123 -11.709 1.00 0.00 C ATOM 344 OD1 ASP A 21 -2.794 -15.322 -10.972 1.00 0.00 O ATOM 345 OD2 ASP A 21 -4.563 -16.029 -12.068 1.00 0.00 O ATOM 0 H ASP A 21 -3.926 -11.372 -13.276 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.043 -13.059 -11.779 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.552 -13.150 -11.402 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.726 -13.741 -13.043 1.00 0.00 H new ATOM 350 N LYS A 22 -1.372 -12.848 -14.570 1.00 0.00 N ATOM 351 CA LYS A 22 -0.736 -13.339 -15.787 1.00 0.00 C ATOM 352 C LYS A 22 0.393 -12.411 -16.223 1.00 0.00 C ATOM 353 O LYS A 22 1.441 -12.867 -16.682 1.00 0.00 O ATOM 354 CB LYS A 22 -1.768 -13.468 -16.910 1.00 0.00 C ATOM 355 CG LYS A 22 -2.757 -12.317 -16.961 1.00 0.00 C ATOM 356 CD LYS A 22 -3.990 -12.603 -16.120 1.00 0.00 C ATOM 357 CE LYS A 22 -5.251 -12.632 -16.971 1.00 0.00 C ATOM 358 NZ LYS A 22 -6.127 -13.785 -16.623 1.00 0.00 N ATOM 0 H LYS A 22 -1.152 -11.878 -14.342 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.314 -14.321 -15.576 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.247 -13.531 -17.865 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.316 -14.402 -16.783 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.276 -11.406 -16.604 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.054 -12.137 -17.994 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.871 -13.560 -15.611 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.089 -11.841 -15.347 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.803 -11.702 -16.835 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.977 -12.689 -18.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.976 -13.770 -17.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.609 -14.674 -16.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.409 -13.718 -15.624 1.00 0.00 H new ATOM 372 N ILE A 23 0.174 -11.109 -16.075 1.00 0.00 N ATOM 373 CA ILE A 23 1.175 -10.119 -16.452 1.00 0.00 C ATOM 374 C ILE A 23 2.423 -10.241 -15.584 1.00 0.00 C ATOM 375 O ILE A 23 3.518 -9.865 -16.000 1.00 0.00 O ATOM 376 CB ILE A 23 0.621 -8.687 -16.336 1.00 0.00 C ATOM 377 CG1 ILE A 23 1.057 -7.849 -17.540 1.00 0.00 C ATOM 378 CG2 ILE A 23 1.086 -8.042 -15.039 1.00 0.00 C ATOM 379 CD1 ILE A 23 2.557 -7.800 -17.731 1.00 0.00 C ATOM 0 H ILE A 23 -0.688 -10.715 -15.697 1.00 0.00 H new ATOM 0 HA ILE A 23 1.438 -10.316 -17.491 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.468 -8.735 -16.325 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.597 -8.255 -18.441 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.681 -6.833 -17.421 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.686 -7.030 -14.972 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.730 -8.630 -14.193 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.175 -8.003 -15.022 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.793 -7.189 -18.602 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.022 -7.366 -16.846 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.938 -8.810 -17.882 1.00 0.00 H new ATOM 391 N GLN A 24 2.249 -10.771 -14.378 1.00 0.00 N ATOM 392 CA GLN A 24 3.362 -10.943 -13.452 1.00 0.00 C ATOM 393 C GLN A 24 4.053 -12.284 -13.676 1.00 0.00 C ATOM 394 O GLN A 24 3.723 -13.278 -13.029 1.00 0.00 O ATOM 395 CB GLN A 24 2.870 -10.844 -12.007 1.00 0.00 C ATOM 396 CG GLN A 24 3.307 -9.570 -11.302 1.00 0.00 C ATOM 397 CD GLN A 24 2.149 -8.635 -11.015 1.00 0.00 C ATOM 398 OE1 GLN A 24 1.563 -8.668 -9.933 1.00 0.00 O ATOM 399 NE2 GLN A 24 1.812 -7.794 -11.986 1.00 0.00 N ATOM 0 H GLN A 24 1.349 -11.089 -14.019 1.00 0.00 H new ATOM 0 HA GLN A 24 4.084 -10.147 -13.638 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.781 -10.899 -11.998 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.238 -11.704 -11.447 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.801 -9.829 -10.365 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.043 -9.053 -11.918 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.325 -7.801 -12.867 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.040 -7.141 -11.850 1.00 0.00 H new ATOM 408 N MET A 25 5.012 -12.304 -14.595 1.00 0.00 N ATOM 409 CA MET A 25 5.750 -13.523 -14.903 1.00 0.00 C ATOM 410 C MET A 25 7.243 -13.333 -14.653 1.00 0.00 C ATOM 411 O MET A 25 8.034 -14.259 -14.828 1.00 0.00 O ATOM 412 CB MET A 25 5.513 -13.935 -16.357 1.00 0.00 C ATOM 413 CG MET A 25 4.052 -14.198 -16.684 1.00 0.00 C ATOM 414 SD MET A 25 3.725 -15.930 -17.060 1.00 0.00 S ATOM 415 CE MET A 25 2.955 -15.788 -18.671 1.00 0.00 C ATOM 0 H MET A 25 5.296 -11.490 -15.140 1.00 0.00 H new ATOM 0 HA MET A 25 5.387 -14.313 -14.245 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.888 -13.150 -17.014 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.092 -14.834 -16.570 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.434 -13.891 -15.840 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.758 -13.584 -17.535 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.694 -16.781 -19.038 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.053 -15.182 -18.591 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.649 -15.315 -19.366 1.00 0.00 H new ATOM 425 N ASN A 26 7.621 -12.127 -14.243 1.00 0.00 N ATOM 426 CA ASN A 26 9.019 -11.816 -13.970 1.00 0.00 C ATOM 427 C ASN A 26 9.859 -11.929 -15.238 1.00 0.00 C ATOM 428 O ASN A 26 11.087 -11.999 -15.178 1.00 0.00 O ATOM 429 CB ASN A 26 9.571 -12.753 -12.894 1.00 0.00 C ATOM 430 CG ASN A 26 8.569 -13.015 -11.786 1.00 0.00 C ATOM 431 OD1 ASN A 26 8.148 -12.095 -11.085 1.00 0.00 O ATOM 432 ND2 ASN A 26 8.183 -14.275 -11.623 1.00 0.00 N ATOM 0 H ASN A 26 6.979 -11.349 -14.092 1.00 0.00 H new ATOM 0 HA ASN A 26 9.073 -10.789 -13.610 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.857 -13.700 -13.352 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.475 -12.319 -12.467 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.511 -14.512 -10.893 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.558 -15.006 -12.228 1.00 0.00 H new ATOM 439 N SER A 27 9.189 -11.946 -16.386 1.00 0.00 N ATOM 440 CA SER A 27 9.873 -12.054 -17.669 1.00 0.00 C ATOM 441 C SER A 27 9.728 -10.765 -18.473 1.00 0.00 C ATOM 442 O SER A 27 10.656 -9.961 -18.549 1.00 0.00 O ATOM 443 CB SER A 27 9.317 -13.233 -18.470 1.00 0.00 C ATOM 444 OG SER A 27 10.228 -14.318 -18.481 1.00 0.00 O ATOM 0 H SER A 27 8.173 -11.886 -16.454 1.00 0.00 H new ATOM 0 HA SER A 27 10.932 -12.223 -17.474 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.369 -13.555 -18.039 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.111 -12.917 -19.493 1.00 0.00 H new ATOM 0 HG SER A 27 9.848 -15.059 -18.998 1.00 0.00 H new ATOM 450 N ASN A 28 8.556 -10.577 -19.070 1.00 0.00 N ATOM 451 CA ASN A 28 8.288 -9.386 -19.869 1.00 0.00 C ATOM 452 C ASN A 28 6.814 -8.999 -19.791 1.00 0.00 C ATOM 453 O ASN A 28 5.961 -9.826 -19.470 1.00 0.00 O ATOM 454 CB ASN A 28 8.689 -9.623 -21.326 1.00 0.00 C ATOM 455 CG ASN A 28 9.490 -10.899 -21.505 1.00 0.00 C ATOM 456 OD1 ASN A 28 8.954 -11.929 -21.914 1.00 0.00 O ATOM 457 ND2 ASN A 28 10.780 -10.835 -21.199 1.00 0.00 N ATOM 0 H ASN A 28 7.777 -11.233 -19.016 1.00 0.00 H new ATOM 0 HA ASN A 28 8.882 -8.566 -19.465 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.792 -9.671 -21.944 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.276 -8.776 -21.681 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.370 -11.661 -21.299 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.182 -9.960 -20.863 1.00 0.00 H new ATOM 464 N PHE A 29 6.523 -7.737 -20.088 1.00 0.00 N ATOM 465 CA PHE A 29 5.153 -7.240 -20.051 1.00 0.00 C ATOM 466 C PHE A 29 4.467 -7.435 -21.400 1.00 0.00 C ATOM 467 O PHE A 29 3.321 -7.880 -21.469 1.00 0.00 O ATOM 468 CB PHE A 29 5.135 -5.759 -19.668 1.00 0.00 C ATOM 469 CG PHE A 29 4.738 -5.514 -18.240 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.505 -6.011 -17.199 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.597 -4.787 -17.939 1.00 0.00 C ATOM 472 CE1 PHE A 29 5.141 -5.787 -15.884 1.00 0.00 C ATOM 473 CE2 PHE A 29 3.228 -4.560 -16.627 1.00 0.00 C ATOM 474 CZ PHE A 29 4.002 -5.060 -15.598 1.00 0.00 C ATOM 0 H PHE A 29 7.218 -7.040 -20.357 1.00 0.00 H new ATOM 0 HA PHE A 29 4.607 -7.810 -19.299 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.125 -5.336 -19.839 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.444 -5.230 -20.325 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.397 -6.580 -17.417 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.989 -4.393 -18.740 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.747 -6.180 -15.081 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.336 -3.993 -16.406 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.717 -4.883 -14.571 1.00 0.00 H new ATOM 484 N THR A 30 5.178 -7.099 -22.473 1.00 0.00 N ATOM 485 CA THR A 30 4.639 -7.236 -23.820 1.00 0.00 C ATOM 486 C THR A 30 5.483 -8.190 -24.656 1.00 0.00 C ATOM 487 O THR A 30 5.303 -8.296 -25.869 1.00 0.00 O ATOM 488 CB THR A 30 4.563 -5.874 -24.536 1.00 0.00 C ATOM 489 OG1 THR A 30 4.044 -6.044 -25.859 1.00 0.00 O ATOM 490 CG2 THR A 30 5.936 -5.222 -24.604 1.00 0.00 C ATOM 0 H THR A 30 6.128 -6.730 -22.434 1.00 0.00 H new ATOM 0 HA THR A 30 3.632 -7.641 -23.717 1.00 0.00 H new ATOM 0 HB THR A 30 3.898 -5.225 -23.966 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.455 -6.832 -26.273 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.858 -4.262 -25.114 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.316 -5.067 -23.594 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.620 -5.870 -25.153 1.00 0.00 H new ATOM 498 N LYS A 31 6.406 -8.885 -24.000 1.00 0.00 N ATOM 499 CA LYS A 31 7.279 -9.834 -24.682 1.00 0.00 C ATOM 500 C LYS A 31 7.088 -11.243 -24.129 1.00 0.00 C ATOM 501 O LYS A 31 7.574 -12.217 -24.705 1.00 0.00 O ATOM 502 CB LYS A 31 8.742 -9.410 -24.534 1.00 0.00 C ATOM 503 CG LYS A 31 8.916 -7.964 -24.102 1.00 0.00 C ATOM 504 CD LYS A 31 10.382 -7.605 -23.935 1.00 0.00 C ATOM 505 CE LYS A 31 11.005 -7.177 -25.255 1.00 0.00 C ATOM 506 NZ LYS A 31 12.490 -7.099 -25.168 1.00 0.00 N ATOM 0 H LYS A 31 6.569 -8.809 -22.996 1.00 0.00 H new ATOM 0 HA LYS A 31 7.014 -9.839 -25.739 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.228 -10.059 -23.805 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.253 -9.560 -25.485 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.461 -7.305 -24.842 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.390 -7.799 -23.161 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.480 -6.799 -23.207 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.925 -8.462 -23.536 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.724 -7.884 -26.036 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.607 -6.205 -25.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.877 -6.804 -26.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.759 -6.406 -24.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.872 -8.032 -24.915 1.00 0.00 H new ATOM 520 N ASP A 32 6.378 -11.344 -23.011 1.00 0.00 N ATOM 521 CA ASP A 32 6.121 -12.634 -22.383 1.00 0.00 C ATOM 522 C ASP A 32 4.705 -13.114 -22.685 1.00 0.00 C ATOM 523 O ASP A 32 4.507 -14.219 -23.192 1.00 0.00 O ATOM 524 CB ASP A 32 6.329 -12.539 -20.870 1.00 0.00 C ATOM 525 CG ASP A 32 6.866 -13.827 -20.277 1.00 0.00 C ATOM 526 OD1 ASP A 32 7.820 -14.392 -20.851 1.00 0.00 O ATOM 527 OD2 ASP A 32 6.332 -14.269 -19.239 1.00 0.00 O ATOM 0 H ASP A 32 5.970 -10.548 -22.521 1.00 0.00 H new ATOM 0 HA ASP A 32 6.825 -13.357 -22.794 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.021 -11.726 -20.652 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.382 -12.289 -20.391 1.00 0.00 H new ATOM 532 N LEU A 33 3.723 -12.277 -22.370 1.00 0.00 N ATOM 533 CA LEU A 33 2.323 -12.615 -22.606 1.00 0.00 C ATOM 534 C LEU A 33 1.910 -12.257 -24.030 1.00 0.00 C ATOM 535 O LEU A 33 1.042 -12.903 -24.616 1.00 0.00 O ATOM 536 CB LEU A 33 1.426 -11.888 -21.604 1.00 0.00 C ATOM 537 CG LEU A 33 1.759 -10.418 -21.347 1.00 0.00 C ATOM 538 CD1 LEU A 33 0.502 -9.565 -21.414 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.446 -10.254 -19.999 1.00 0.00 C ATOM 0 H LEU A 33 3.870 -11.359 -21.950 1.00 0.00 H new ATOM 0 HA LEU A 33 2.207 -13.691 -22.473 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.397 -11.950 -21.957 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.470 -12.421 -20.654 1.00 0.00 H new ATOM 0 HG LEU A 33 2.444 -10.080 -22.125 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.760 -8.522 -21.228 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.052 -9.657 -22.402 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.208 -9.903 -20.659 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.675 -9.201 -19.833 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.786 -10.610 -19.208 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.370 -10.833 -19.989 1.00 0.00 H new ATOM 551 N GLY A 34 2.539 -11.224 -24.582 1.00 0.00 N ATOM 552 CA GLY A 34 2.225 -10.799 -25.933 1.00 0.00 C ATOM 553 C GLY A 34 0.859 -10.149 -26.033 1.00 0.00 C ATOM 554 O GLY A 34 0.142 -10.344 -27.014 1.00 0.00 O ATOM 0 H GLY A 34 3.261 -10.674 -24.117 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.984 -10.096 -26.275 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.264 -11.660 -26.600 1.00 0.00 H new ATOM 558 N ALA A 35 0.498 -9.375 -25.015 1.00 0.00 N ATOM 559 CA ALA A 35 -0.791 -8.694 -24.993 1.00 0.00 C ATOM 560 C ALA A 35 -0.956 -7.791 -26.211 1.00 0.00 C ATOM 561 O ALA A 35 -1.685 -8.122 -27.146 1.00 0.00 O ATOM 562 CB ALA A 35 -0.939 -7.887 -23.712 1.00 0.00 C ATOM 0 H ALA A 35 1.080 -9.204 -24.195 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.575 -9.451 -25.026 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.906 -7.384 -23.709 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.874 -8.554 -22.852 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.143 -7.144 -23.656 1.00 0.00 H new ATOM 568 N ASP A 36 -0.275 -6.651 -26.193 1.00 0.00 N ATOM 569 CA ASP A 36 -0.346 -5.700 -27.296 1.00 0.00 C ATOM 570 C ASP A 36 0.561 -4.501 -27.040 1.00 0.00 C ATOM 571 O ASP A 36 0.534 -3.864 -25.988 1.00 0.00 O ATOM 572 CB ASP A 36 -1.787 -5.231 -27.502 1.00 0.00 C ATOM 573 CG ASP A 36 -2.317 -5.573 -28.880 1.00 0.00 C ATOM 574 OD1 ASP A 36 -2.704 -6.741 -29.095 1.00 0.00 O ATOM 575 OD2 ASP A 36 -2.345 -4.673 -29.745 1.00 0.00 O ATOM 0 H ASP A 36 0.333 -6.363 -25.426 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.004 -6.204 -28.200 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.426 -5.688 -26.747 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.839 -4.152 -27.353 1.00 0.00 H new ATOM 580 N SER A 37 1.404 -4.170 -28.033 1.00 0.00 N ATOM 581 CA SER A 37 2.381 -3.059 -28.017 1.00 0.00 C ATOM 582 C SER A 37 1.749 -1.719 -27.603 1.00 0.00 C ATOM 583 O SER A 37 2.275 -0.987 -26.762 1.00 0.00 O ATOM 584 CB SER A 37 3.003 -2.986 -29.421 1.00 0.00 C ATOM 585 OG SER A 37 2.031 -2.603 -30.395 1.00 0.00 O ATOM 0 H SER A 37 1.427 -4.691 -28.910 1.00 0.00 H new ATOM 0 HA SER A 37 3.146 -3.251 -27.265 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.824 -2.270 -29.421 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.425 -3.955 -29.686 1.00 0.00 H new ATOM 590 N LEU A 38 0.610 -1.415 -28.214 1.00 0.00 N ATOM 591 CA LEU A 38 -0.106 -0.177 -27.927 1.00 0.00 C ATOM 592 C LEU A 38 -0.734 -0.221 -26.538 1.00 0.00 C ATOM 593 O LEU A 38 -0.806 0.795 -25.846 1.00 0.00 O ATOM 594 CB LEU A 38 -1.188 0.065 -28.981 1.00 0.00 C ATOM 595 CG LEU A 38 -0.823 -0.312 -30.417 1.00 0.00 C ATOM 596 CD1 LEU A 38 -1.351 -1.697 -30.756 1.00 0.00 C ATOM 597 CD2 LEU A 38 -1.365 0.721 -31.394 1.00 0.00 C ATOM 0 H LEU A 38 0.162 -2.009 -28.912 1.00 0.00 H new ATOM 0 HA LEU A 38 0.611 0.644 -27.956 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.078 -0.496 -28.695 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.457 1.121 -28.961 1.00 0.00 H new ATOM 0 HG LEU A 38 0.264 -0.329 -30.503 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.082 -1.948 -31.782 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.914 -2.429 -30.077 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.436 -1.708 -30.653 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.096 0.436 -32.411 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.450 0.770 -31.306 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.938 1.697 -31.165 1.00 0.00 H new ATOM 609 N ASP A 39 -1.185 -1.404 -26.135 1.00 0.00 N ATOM 610 CA ASP A 39 -1.804 -1.581 -24.827 1.00 0.00 C ATOM 611 C ASP A 39 -0.784 -1.374 -23.711 1.00 0.00 C ATOM 612 O ASP A 39 -1.000 -0.574 -22.799 1.00 0.00 O ATOM 613 CB ASP A 39 -2.423 -2.975 -24.716 1.00 0.00 C ATOM 614 CG ASP A 39 -3.794 -3.052 -25.357 1.00 0.00 C ATOM 615 OD1 ASP A 39 -3.865 -3.077 -26.604 1.00 0.00 O ATOM 616 OD2 ASP A 39 -4.797 -3.087 -24.613 1.00 0.00 O ATOM 0 H ASP A 39 -1.133 -2.255 -26.696 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.590 -0.833 -24.720 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.762 -3.701 -25.189 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.501 -3.252 -23.665 1.00 0.00 H new ATOM 621 N LEU A 40 0.326 -2.099 -23.789 1.00 0.00 N ATOM 622 CA LEU A 40 1.379 -1.995 -22.785 1.00 0.00 C ATOM 623 C LEU A 40 1.891 -0.562 -22.678 1.00 0.00 C ATOM 624 O LEU A 40 2.110 -0.050 -21.580 1.00 0.00 O ATOM 625 CB LEU A 40 2.535 -2.937 -23.130 1.00 0.00 C ATOM 626 CG LEU A 40 3.106 -3.753 -21.970 1.00 0.00 C ATOM 627 CD1 LEU A 40 3.412 -2.851 -20.784 1.00 0.00 C ATOM 628 CD2 LEU A 40 2.139 -4.857 -21.568 1.00 0.00 C ATOM 0 H LEU A 40 0.520 -2.765 -24.537 1.00 0.00 H new ATOM 0 HA LEU A 40 0.958 -2.283 -21.822 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.196 -3.628 -23.902 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.342 -2.346 -23.564 1.00 0.00 H new ATOM 0 HG LEU A 40 4.037 -4.215 -22.299 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.818 -3.449 -19.968 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.142 -2.097 -21.079 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.496 -2.360 -20.454 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.562 -5.428 -20.741 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.192 -4.416 -21.258 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.970 -5.519 -22.417 1.00 0.00 H new ATOM 640 N VAL A 41 2.077 0.081 -23.826 1.00 0.00 N ATOM 641 CA VAL A 41 2.560 1.457 -23.862 1.00 0.00 C ATOM 642 C VAL A 41 1.506 2.423 -23.332 1.00 0.00 C ATOM 643 O VAL A 41 1.832 3.501 -22.838 1.00 0.00 O ATOM 644 CB VAL A 41 2.953 1.877 -25.291 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.323 3.352 -25.331 1.00 0.00 C ATOM 646 CG2 VAL A 41 4.099 1.017 -25.802 1.00 0.00 C ATOM 0 H VAL A 41 1.901 -0.328 -24.743 1.00 0.00 H new ATOM 0 HA VAL A 41 3.442 1.500 -23.223 1.00 0.00 H new ATOM 0 HB VAL A 41 2.095 1.725 -25.945 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.598 3.631 -26.348 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.470 3.950 -25.009 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.166 3.534 -24.665 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.364 1.327 -26.813 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.963 1.136 -25.148 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.793 -0.029 -25.812 1.00 0.00 H new ATOM 656 N GLU A 42 0.241 2.027 -23.438 1.00 0.00 N ATOM 657 CA GLU A 42 -0.861 2.858 -22.970 1.00 0.00 C ATOM 658 C GLU A 42 -0.898 2.904 -21.445 1.00 0.00 C ATOM 659 O GLU A 42 -0.713 3.961 -20.839 1.00 0.00 O ATOM 660 CB GLU A 42 -2.192 2.330 -23.507 1.00 0.00 C ATOM 661 CG GLU A 42 -2.581 2.916 -24.855 1.00 0.00 C ATOM 662 CD GLU A 42 -3.579 4.051 -24.731 1.00 0.00 C ATOM 663 OE1 GLU A 42 -4.782 3.768 -24.557 1.00 0.00 O ATOM 664 OE2 GLU A 42 -3.155 5.224 -24.808 1.00 0.00 O ATOM 0 H GLU A 42 -0.045 1.136 -23.844 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.703 3.870 -23.344 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.134 1.245 -23.595 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.978 2.549 -22.785 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.686 3.278 -25.362 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.006 2.130 -25.480 1.00 0.00 H new ATOM 671 N LEU A 43 -1.138 1.751 -20.830 1.00 0.00 N ATOM 672 CA LEU A 43 -1.200 1.658 -19.376 1.00 0.00 C ATOM 673 C LEU A 43 0.029 2.296 -18.736 1.00 0.00 C ATOM 674 O LEU A 43 -0.081 3.033 -17.756 1.00 0.00 O ATOM 675 CB LEU A 43 -1.314 0.195 -18.943 1.00 0.00 C ATOM 676 CG LEU A 43 -0.236 -0.748 -19.479 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.788 -1.058 -18.398 1.00 0.00 C ATOM 678 CD2 LEU A 43 -0.864 -2.031 -20.003 1.00 0.00 C ATOM 0 H LEU A 43 -1.293 0.868 -21.316 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.084 2.200 -19.040 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.294 0.156 -17.854 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.287 -0.182 -19.257 1.00 0.00 H new ATOM 0 HG LEU A 43 0.276 -0.253 -20.304 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.547 -1.730 -18.798 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.260 -0.133 -18.068 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.292 -1.534 -17.552 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.083 -2.691 -20.381 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.401 -2.529 -19.196 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.559 -1.793 -20.808 1.00 0.00 H new ATOM 690 N ILE A 44 1.198 2.008 -19.299 1.00 0.00 N ATOM 691 CA ILE A 44 2.448 2.556 -18.786 1.00 0.00 C ATOM 692 C ILE A 44 2.429 4.081 -18.807 1.00 0.00 C ATOM 693 O ILE A 44 2.771 4.730 -17.819 1.00 0.00 O ATOM 694 CB ILE A 44 3.657 2.057 -19.598 1.00 0.00 C ATOM 695 CG1 ILE A 44 3.927 0.581 -19.298 1.00 0.00 C ATOM 696 CG2 ILE A 44 4.886 2.899 -19.290 1.00 0.00 C ATOM 697 CD1 ILE A 44 5.040 -0.012 -20.133 1.00 0.00 C ATOM 0 H ILE A 44 1.306 1.399 -20.110 1.00 0.00 H new ATOM 0 HA ILE A 44 2.545 2.210 -17.757 1.00 0.00 H new ATOM 0 HB ILE A 44 3.429 2.157 -20.659 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.179 0.473 -18.243 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.013 0.011 -19.468 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.732 2.534 -19.872 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.689 3.939 -19.550 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.119 2.828 -18.227 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.176 -1.060 -19.867 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.782 0.064 -21.189 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.965 0.533 -19.946 1.00 0.00 H new ATOM 709 N MET A 45 2.025 4.646 -19.940 1.00 0.00 N ATOM 710 CA MET A 45 1.959 6.095 -20.090 1.00 0.00 C ATOM 711 C MET A 45 1.171 6.724 -18.945 1.00 0.00 C ATOM 712 O MET A 45 1.476 7.832 -18.505 1.00 0.00 O ATOM 713 CB MET A 45 1.316 6.462 -21.429 1.00 0.00 C ATOM 714 CG MET A 45 -0.117 6.952 -21.301 1.00 0.00 C ATOM 715 SD MET A 45 -0.913 7.194 -22.900 1.00 0.00 S ATOM 716 CE MET A 45 -1.355 8.927 -22.799 1.00 0.00 C ATOM 0 H MET A 45 1.739 4.123 -20.767 1.00 0.00 H new ATOM 0 HA MET A 45 2.977 6.485 -20.065 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.914 7.236 -21.910 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.336 5.591 -22.083 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.692 6.233 -20.718 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.128 7.891 -20.748 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.858 9.228 -23.718 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.023 9.083 -21.952 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.454 9.525 -22.666 1.00 0.00 H new ATOM 726 N ALA A 46 0.157 6.009 -18.467 1.00 0.00 N ATOM 727 CA ALA A 46 -0.672 6.497 -17.373 1.00 0.00 C ATOM 728 C ALA A 46 0.073 6.425 -16.045 1.00 0.00 C ATOM 729 O ALA A 46 -0.054 7.312 -15.200 1.00 0.00 O ATOM 730 CB ALA A 46 -1.968 5.703 -17.298 1.00 0.00 C ATOM 0 H ALA A 46 -0.109 5.090 -18.821 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.910 7.542 -17.569 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.578 6.078 -16.476 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.515 5.811 -18.234 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.741 4.650 -17.130 1.00 0.00 H new ATOM 736 N LEU A 47 0.850 5.362 -15.865 1.00 0.00 N ATOM 737 CA LEU A 47 1.616 5.173 -14.638 1.00 0.00 C ATOM 738 C LEU A 47 2.531 6.365 -14.378 1.00 0.00 C ATOM 739 O LEU A 47 2.549 6.918 -13.279 1.00 0.00 O ATOM 740 CB LEU A 47 2.444 3.889 -14.723 1.00 0.00 C ATOM 741 CG LEU A 47 2.709 3.173 -13.398 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.601 1.961 -13.616 1.00 0.00 C ATOM 743 CD2 LEU A 47 3.338 4.127 -12.393 1.00 0.00 C ATOM 0 H LEU A 47 0.966 4.618 -16.553 1.00 0.00 H new ATOM 0 HA LEU A 47 0.913 5.091 -13.809 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.935 3.196 -15.392 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.403 4.129 -15.182 1.00 0.00 H new ATOM 0 HG LEU A 47 1.756 2.829 -12.995 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.779 1.464 -12.662 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.112 1.268 -14.301 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.552 2.281 -14.041 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.520 3.601 -11.456 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.283 4.501 -12.788 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.663 4.964 -12.214 1.00 0.00 H new ATOM 755 N GLU A 48 3.288 6.758 -15.399 1.00 0.00 N ATOM 756 CA GLU A 48 4.204 7.886 -15.280 1.00 0.00 C ATOM 757 C GLU A 48 3.438 9.191 -15.083 1.00 0.00 C ATOM 758 O GLU A 48 3.811 10.021 -14.255 1.00 0.00 O ATOM 759 CB GLU A 48 5.090 7.985 -16.523 1.00 0.00 C ATOM 760 CG GLU A 48 4.308 8.101 -17.821 1.00 0.00 C ATOM 761 CD GLU A 48 5.200 8.058 -19.046 1.00 0.00 C ATOM 762 OE1 GLU A 48 6.076 7.170 -19.110 1.00 0.00 O ATOM 763 OE2 GLU A 48 5.023 8.912 -19.939 1.00 0.00 O ATOM 0 H GLU A 48 3.284 6.312 -16.316 1.00 0.00 H new ATOM 0 HA GLU A 48 4.833 7.719 -14.406 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.744 8.851 -16.424 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.731 7.105 -16.573 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.582 7.290 -17.877 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.745 9.034 -17.819 1.00 0.00 H new ATOM 770 N GLU A 49 2.366 9.363 -15.850 1.00 0.00 N ATOM 771 CA GLU A 49 1.549 10.567 -15.761 1.00 0.00 C ATOM 772 C GLU A 49 0.987 10.740 -14.352 1.00 0.00 C ATOM 773 O GLU A 49 0.674 11.853 -13.928 1.00 0.00 O ATOM 774 CB GLU A 49 0.404 10.510 -16.774 1.00 0.00 C ATOM 775 CG GLU A 49 0.377 11.691 -17.729 1.00 0.00 C ATOM 776 CD GLU A 49 -0.941 12.439 -17.696 1.00 0.00 C ATOM 777 OE1 GLU A 49 -1.290 12.981 -16.627 1.00 0.00 O ATOM 778 OE2 GLU A 49 -1.625 12.481 -18.740 1.00 0.00 O ATOM 0 H GLU A 49 2.043 8.684 -16.540 1.00 0.00 H new ATOM 0 HA GLU A 49 2.184 11.423 -15.989 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.486 9.589 -17.351 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.543 10.466 -16.237 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.186 12.377 -17.476 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.564 11.338 -18.743 1.00 0.00 H new ATOM 785 N LYS A 50 0.863 9.631 -13.631 1.00 0.00 N ATOM 786 CA LYS A 50 0.340 9.657 -12.270 1.00 0.00 C ATOM 787 C LYS A 50 1.473 9.753 -11.254 1.00 0.00 C ATOM 788 O LYS A 50 1.355 10.442 -10.241 1.00 0.00 O ATOM 789 CB LYS A 50 -0.498 8.405 -11.999 1.00 0.00 C ATOM 790 CG LYS A 50 -0.941 8.272 -10.553 1.00 0.00 C ATOM 791 CD LYS A 50 -2.007 7.201 -10.393 1.00 0.00 C ATOM 792 CE LYS A 50 -3.405 7.801 -10.396 1.00 0.00 C ATOM 793 NZ LYS A 50 -4.235 7.268 -11.511 1.00 0.00 N ATOM 0 H LYS A 50 1.118 8.702 -13.967 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.292 10.539 -12.167 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.379 8.422 -12.640 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.081 7.524 -12.276 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.081 8.027 -9.929 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.329 9.228 -10.201 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.920 6.475 -11.202 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.844 6.660 -9.461 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.894 7.588 -9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.335 8.885 -10.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.180 7.701 -11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.782 7.494 -12.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.324 6.236 -11.415 1.00 0.00 H new ATOM 807 N PHE A 51 2.572 9.059 -11.532 1.00 0.00 N ATOM 808 CA PHE A 51 3.727 9.066 -10.642 1.00 0.00 C ATOM 809 C PHE A 51 4.486 10.385 -10.747 1.00 0.00 C ATOM 810 O PHE A 51 5.405 10.648 -9.973 1.00 0.00 O ATOM 811 CB PHE A 51 4.660 7.900 -10.973 1.00 0.00 C ATOM 812 CG PHE A 51 4.809 6.914 -9.849 1.00 0.00 C ATOM 813 CD1 PHE A 51 3.698 6.456 -9.160 1.00 0.00 C ATOM 814 CD2 PHE A 51 6.060 6.444 -9.483 1.00 0.00 C ATOM 815 CE1 PHE A 51 3.832 5.550 -8.125 1.00 0.00 C ATOM 816 CE2 PHE A 51 6.201 5.537 -8.450 1.00 0.00 C ATOM 817 CZ PHE A 51 5.085 5.089 -7.771 1.00 0.00 C ATOM 0 H PHE A 51 2.687 8.484 -12.367 1.00 0.00 H new ATOM 0 HA PHE A 51 3.367 8.955 -9.619 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.281 7.381 -11.853 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.643 8.294 -11.233 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.716 6.811 -9.435 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.936 6.791 -10.012 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.958 5.203 -7.594 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.182 5.179 -8.174 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.192 4.379 -6.964 1.00 0.00 H new ATOM 827 N ASN A 52 4.094 11.211 -11.712 1.00 0.00 N ATOM 828 CA ASN A 52 4.738 12.503 -11.921 1.00 0.00 C ATOM 829 C ASN A 52 6.194 12.323 -12.343 1.00 0.00 C ATOM 830 O ASN A 52 7.110 12.783 -11.661 1.00 0.00 O ATOM 831 CB ASN A 52 4.665 13.345 -10.646 1.00 0.00 C ATOM 832 CG ASN A 52 5.017 14.799 -10.892 1.00 0.00 C ATOM 833 OD1 ASN A 52 4.565 15.402 -11.865 1.00 0.00 O ATOM 834 ND2 ASN A 52 5.828 15.369 -10.008 1.00 0.00 N ATOM 0 H ASN A 52 3.334 11.009 -12.361 1.00 0.00 H new ATOM 0 HA ASN A 52 4.208 13.020 -12.720 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.659 13.283 -10.230 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.344 12.931 -9.901 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.100 16.346 -10.121 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.179 14.830 -9.216 1.00 0.00 H new ATOM 841 N VAL A 53 6.399 11.652 -13.472 1.00 0.00 N ATOM 842 CA VAL A 53 7.742 11.413 -13.986 1.00 0.00 C ATOM 843 C VAL A 53 7.843 11.796 -15.458 1.00 0.00 C ATOM 844 O VAL A 53 6.917 12.376 -16.026 1.00 0.00 O ATOM 845 CB VAL A 53 8.152 9.937 -13.821 1.00 0.00 C ATOM 846 CG1 VAL A 53 9.266 9.804 -12.795 1.00 0.00 C ATOM 847 CG2 VAL A 53 6.950 9.092 -13.427 1.00 0.00 C ATOM 0 H VAL A 53 5.652 11.264 -14.048 1.00 0.00 H new ATOM 0 HA VAL A 53 8.420 12.038 -13.404 1.00 0.00 H new ATOM 0 HB VAL A 53 8.526 9.573 -14.778 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.542 8.755 -12.692 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.133 10.377 -13.123 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.922 10.185 -11.833 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.257 8.052 -13.315 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.544 9.455 -12.483 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.186 9.163 -14.201 1.00 0.00 H new ATOM 857 N THR A 54 8.975 11.467 -16.073 1.00 0.00 N ATOM 858 CA THR A 54 9.198 11.776 -17.480 1.00 0.00 C ATOM 859 C THR A 54 9.829 10.595 -18.209 1.00 0.00 C ATOM 860 O THR A 54 10.898 10.722 -18.807 1.00 0.00 O ATOM 861 CB THR A 54 10.104 13.011 -17.646 1.00 0.00 C ATOM 862 OG1 THR A 54 10.335 13.265 -19.036 1.00 0.00 O ATOM 863 CG2 THR A 54 11.433 12.806 -16.935 1.00 0.00 C ATOM 0 H THR A 54 9.752 10.987 -15.619 1.00 0.00 H new ATOM 0 HA THR A 54 8.222 11.989 -17.916 1.00 0.00 H new ATOM 0 HB THR A 54 9.599 13.868 -17.199 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.791 12.496 -19.438 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.056 13.691 -17.066 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.255 12.641 -15.872 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.941 11.939 -17.357 1.00 0.00 H new ATOM 871 N ILE A 55 9.160 9.448 -18.156 1.00 0.00 N ATOM 872 CA ILE A 55 9.655 8.245 -18.814 1.00 0.00 C ATOM 873 C ILE A 55 9.025 8.073 -20.192 1.00 0.00 C ATOM 874 O ILE A 55 8.030 8.722 -20.516 1.00 0.00 O ATOM 875 CB ILE A 55 9.374 6.987 -17.972 1.00 0.00 C ATOM 876 CG1 ILE A 55 9.481 7.310 -16.480 1.00 0.00 C ATOM 877 CG2 ILE A 55 10.337 5.871 -18.349 1.00 0.00 C ATOM 878 CD1 ILE A 55 8.150 7.299 -15.762 1.00 0.00 C ATOM 0 H ILE A 55 8.274 9.326 -17.665 1.00 0.00 H new ATOM 0 HA ILE A 55 10.733 8.366 -18.923 1.00 0.00 H new ATOM 0 HB ILE A 55 8.359 6.649 -18.179 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.146 6.587 -16.007 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.941 8.291 -16.361 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.126 4.989 -17.745 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.215 5.626 -19.404 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.361 6.198 -18.168 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.303 7.536 -14.709 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.489 8.042 -16.209 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.698 6.311 -15.849 1.00 0.00 H new ATOM 890 N SER A 56 9.609 7.192 -20.998 1.00 0.00 N ATOM 891 CA SER A 56 9.106 6.935 -22.342 1.00 0.00 C ATOM 892 C SER A 56 9.541 5.557 -22.831 1.00 0.00 C ATOM 893 O SER A 56 8.753 4.611 -22.836 1.00 0.00 O ATOM 894 CB SER A 56 9.601 8.012 -23.310 1.00 0.00 C ATOM 895 OG SER A 56 8.607 8.997 -23.529 1.00 0.00 O ATOM 0 H SER A 56 10.431 6.644 -20.743 1.00 0.00 H new ATOM 0 HA SER A 56 8.017 6.962 -22.306 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.500 8.481 -22.909 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.878 7.553 -24.259 1.00 0.00 H new ATOM 0 HG SER A 56 8.149 9.193 -22.685 1.00 0.00 H new ATOM 901 N ASP A 57 10.800 5.452 -23.242 1.00 0.00 N ATOM 902 CA ASP A 57 11.342 4.190 -23.732 1.00 0.00 C ATOM 903 C ASP A 57 11.894 3.353 -22.582 1.00 0.00 C ATOM 904 O ASP A 57 11.714 2.137 -22.546 1.00 0.00 O ATOM 905 CB ASP A 57 12.440 4.449 -24.764 1.00 0.00 C ATOM 906 CG ASP A 57 12.061 3.957 -26.147 1.00 0.00 C ATOM 907 OD1 ASP A 57 10.901 4.171 -26.555 1.00 0.00 O ATOM 908 OD2 ASP A 57 12.926 3.359 -26.822 1.00 0.00 O ATOM 0 H ASP A 57 11.464 6.226 -23.246 1.00 0.00 H new ATOM 0 HA ASP A 57 10.533 3.634 -24.206 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.650 5.518 -24.806 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.358 3.956 -24.445 1.00 0.00 H new ATOM 913 N GLN A 58 12.568 4.014 -21.646 1.00 0.00 N ATOM 914 CA GLN A 58 13.148 3.330 -20.497 1.00 0.00 C ATOM 915 C GLN A 58 12.111 2.450 -19.806 1.00 0.00 C ATOM 916 O GLN A 58 12.424 1.355 -19.340 1.00 0.00 O ATOM 917 CB GLN A 58 13.714 4.347 -19.504 1.00 0.00 C ATOM 918 CG GLN A 58 14.633 5.376 -20.143 1.00 0.00 C ATOM 919 CD GLN A 58 14.114 6.792 -19.997 1.00 0.00 C ATOM 920 OE1 GLN A 58 13.809 7.243 -18.892 1.00 0.00 O ATOM 921 NE2 GLN A 58 14.011 7.504 -21.113 1.00 0.00 N ATOM 0 H GLN A 58 12.726 5.022 -21.661 1.00 0.00 H new ATOM 0 HA GLN A 58 13.957 2.693 -20.855 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.888 4.864 -19.016 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.262 3.816 -18.726 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.621 5.307 -19.689 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.752 5.144 -21.201 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.275 7.091 -22.008 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.668 8.464 -21.076 1.00 0.00 H new ATOM 930 N ASP A 59 10.877 2.938 -19.743 1.00 0.00 N ATOM 931 CA ASP A 59 9.793 2.196 -19.110 1.00 0.00 C ATOM 932 C ASP A 59 9.513 0.897 -19.860 1.00 0.00 C ATOM 933 O ASP A 59 9.568 -0.189 -19.284 1.00 0.00 O ATOM 934 CB ASP A 59 8.526 3.050 -19.054 1.00 0.00 C ATOM 935 CG ASP A 59 8.293 3.650 -17.681 1.00 0.00 C ATOM 936 OD1 ASP A 59 9.208 3.569 -16.835 1.00 0.00 O ATOM 937 OD2 ASP A 59 7.196 4.201 -17.453 1.00 0.00 O ATOM 0 H ASP A 59 10.602 3.844 -20.123 1.00 0.00 H new ATOM 0 HA ASP A 59 10.100 1.949 -18.094 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.598 3.851 -19.790 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.667 2.439 -19.331 1.00 0.00 H new ATOM 942 N ALA A 60 9.211 1.018 -21.149 1.00 0.00 N ATOM 943 CA ALA A 60 8.923 -0.146 -21.978 1.00 0.00 C ATOM 944 C ALA A 60 10.041 -1.178 -21.883 1.00 0.00 C ATOM 945 O ALA A 60 9.824 -2.368 -22.115 1.00 0.00 O ATOM 946 CB ALA A 60 8.712 0.276 -23.425 1.00 0.00 C ATOM 0 H ALA A 60 9.160 1.910 -21.641 1.00 0.00 H new ATOM 0 HA ALA A 60 8.007 -0.607 -21.608 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.498 -0.603 -24.033 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.874 0.970 -23.483 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.613 0.763 -23.797 1.00 0.00 H new ATOM 952 N LEU A 61 11.239 -0.716 -21.542 1.00 0.00 N ATOM 953 CA LEU A 61 12.393 -1.599 -21.417 1.00 0.00 C ATOM 954 C LEU A 61 12.812 -1.746 -19.958 1.00 0.00 C ATOM 955 O LEU A 61 13.995 -1.888 -19.651 1.00 0.00 O ATOM 956 CB LEU A 61 13.563 -1.062 -22.244 1.00 0.00 C ATOM 957 CG LEU A 61 14.019 0.360 -21.916 1.00 0.00 C ATOM 958 CD1 LEU A 61 15.229 0.334 -20.995 1.00 0.00 C ATOM 959 CD2 LEU A 61 14.335 1.126 -23.192 1.00 0.00 C ATOM 0 H LEU A 61 11.436 0.266 -21.347 1.00 0.00 H new ATOM 0 HA LEU A 61 12.110 -2.581 -21.795 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.412 -1.733 -22.115 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.285 -1.099 -23.297 1.00 0.00 H new ATOM 0 HG LEU A 61 13.206 0.871 -21.400 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.539 1.355 -20.773 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.969 -0.176 -20.068 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.047 -0.195 -21.484 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.658 2.136 -22.940 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.131 0.616 -23.735 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.443 1.176 -23.817 1.00 0.00 H new ATOM 971 N LYS A 62 11.832 -1.712 -19.061 1.00 0.00 N ATOM 972 CA LYS A 62 12.097 -1.844 -17.633 1.00 0.00 C ATOM 973 C LYS A 62 10.964 -2.592 -16.937 1.00 0.00 C ATOM 974 O LYS A 62 11.164 -3.683 -16.402 1.00 0.00 O ATOM 975 CB LYS A 62 12.278 -0.464 -16.997 1.00 0.00 C ATOM 976 CG LYS A 62 13.715 0.029 -17.014 1.00 0.00 C ATOM 977 CD LYS A 62 13.908 1.217 -16.087 1.00 0.00 C ATOM 978 CE LYS A 62 13.066 2.407 -16.523 1.00 0.00 C ATOM 979 NZ LYS A 62 13.417 3.641 -15.768 1.00 0.00 N ATOM 0 H LYS A 62 10.847 -1.594 -19.298 1.00 0.00 H new ATOM 0 HA LYS A 62 13.016 -2.417 -17.511 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.650 0.255 -17.523 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.927 -0.499 -15.966 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.382 -0.780 -16.714 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.992 0.310 -18.030 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.639 0.933 -15.069 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.960 1.501 -16.072 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.208 2.581 -17.590 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.010 2.179 -16.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.582 4.257 -15.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.735 3.384 -14.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.180 4.145 -16.263 1.00 0.00 H new ATOM 993 N ILE A 63 9.775 -1.998 -16.948 1.00 0.00 N ATOM 994 CA ILE A 63 8.610 -2.609 -16.320 1.00 0.00 C ATOM 995 C ILE A 63 8.437 -4.055 -16.773 1.00 0.00 C ATOM 996 O ILE A 63 7.880 -4.880 -16.051 1.00 0.00 O ATOM 997 CB ILE A 63 7.323 -1.826 -16.637 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.352 -0.457 -15.953 1.00 0.00 C ATOM 999 CG2 ILE A 63 6.100 -2.617 -16.200 1.00 0.00 C ATOM 1000 CD1 ILE A 63 7.961 0.633 -16.806 1.00 0.00 C ATOM 0 H ILE A 63 9.593 -1.094 -17.385 1.00 0.00 H new ATOM 0 HA ILE A 63 8.783 -2.586 -15.244 1.00 0.00 H new ATOM 0 HB ILE A 63 7.265 -1.672 -17.714 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.334 -0.172 -15.686 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.915 -0.537 -15.023 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.198 -2.050 -16.431 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.075 -3.570 -16.729 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.149 -2.799 -15.126 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.948 1.575 -16.257 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.990 0.370 -17.052 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.385 0.741 -17.725 1.00 0.00 H new ATOM 1012 N ASN A 64 8.919 -4.355 -17.975 1.00 0.00 N ATOM 1013 CA ASN A 64 8.819 -5.701 -18.525 1.00 0.00 C ATOM 1014 C ASN A 64 9.081 -6.750 -17.448 1.00 0.00 C ATOM 1015 O ASN A 64 8.396 -7.771 -17.379 1.00 0.00 O ATOM 1016 CB ASN A 64 9.808 -5.879 -19.678 1.00 0.00 C ATOM 1017 CG ASN A 64 10.944 -4.875 -19.625 1.00 0.00 C ATOM 1018 OD1 ASN A 64 10.975 -3.916 -20.396 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.884 -5.094 -18.713 1.00 0.00 N ATOM 0 H ASN A 64 9.383 -3.683 -18.587 1.00 0.00 H new ATOM 0 HA ASN A 64 7.805 -5.838 -18.901 1.00 0.00 H new ATOM 0 HB2 ASN A 64 10.217 -6.889 -19.649 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.280 -5.776 -20.626 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.674 -4.454 -18.630 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.816 -5.903 -18.095 1.00 0.00 H new ATOM 1026 N THR A 65 10.079 -6.490 -16.608 1.00 0.00 N ATOM 1027 CA THR A 65 10.433 -7.411 -15.535 1.00 0.00 C ATOM 1028 C THR A 65 10.072 -6.832 -14.172 1.00 0.00 C ATOM 1029 O THR A 65 10.409 -5.688 -13.863 1.00 0.00 O ATOM 1030 CB THR A 65 11.936 -7.746 -15.556 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.686 -6.672 -14.975 1.00 0.00 O ATOM 1032 CG2 THR A 65 12.416 -7.994 -16.978 1.00 0.00 C ATOM 0 H THR A 65 10.656 -5.650 -16.650 1.00 0.00 H new ATOM 0 HA THR A 65 9.862 -8.325 -15.701 1.00 0.00 H new ATOM 0 HB THR A 65 12.091 -8.654 -14.973 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.542 -6.579 -15.444 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.480 -8.229 -16.967 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.864 -8.830 -17.408 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.248 -7.101 -17.580 1.00 0.00 H new ATOM 1040 N VAL A 66 9.385 -7.628 -13.359 1.00 0.00 N ATOM 1041 CA VAL A 66 8.980 -7.195 -12.027 1.00 0.00 C ATOM 1042 C VAL A 66 10.151 -6.577 -11.270 1.00 0.00 C ATOM 1043 O VAL A 66 9.965 -5.695 -10.433 1.00 0.00 O ATOM 1044 CB VAL A 66 8.412 -8.366 -11.204 1.00 0.00 C ATOM 1045 CG1 VAL A 66 8.134 -7.929 -9.774 1.00 0.00 C ATOM 1046 CG2 VAL A 66 7.152 -8.913 -11.857 1.00 0.00 C ATOM 0 H VAL A 66 9.097 -8.577 -13.600 1.00 0.00 H new ATOM 0 HA VAL A 66 8.201 -6.444 -12.162 1.00 0.00 H new ATOM 0 HB VAL A 66 9.156 -9.163 -11.177 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.733 -8.770 -9.208 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.060 -7.588 -9.311 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.409 -7.115 -9.777 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.764 -9.740 -11.262 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.401 -8.125 -11.916 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.387 -9.267 -12.861 1.00 0.00 H new ATOM 1056 N GLN A 67 11.357 -7.047 -11.571 1.00 0.00 N ATOM 1057 CA GLN A 67 12.559 -6.541 -10.919 1.00 0.00 C ATOM 1058 C GLN A 67 12.850 -5.108 -11.351 1.00 0.00 C ATOM 1059 O GLN A 67 12.948 -4.206 -10.520 1.00 0.00 O ATOM 1060 CB GLN A 67 13.756 -7.437 -11.241 1.00 0.00 C ATOM 1061 CG GLN A 67 14.670 -7.682 -10.052 1.00 0.00 C ATOM 1062 CD GLN A 67 15.627 -6.532 -9.806 1.00 0.00 C ATOM 1063 OE1 GLN A 67 16.800 -6.595 -10.175 1.00 0.00 O ATOM 1064 NE2 GLN A 67 15.131 -5.472 -9.178 1.00 0.00 N ATOM 0 H GLN A 67 11.528 -7.777 -12.262 1.00 0.00 H new ATOM 0 HA GLN A 67 12.388 -6.549 -9.842 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.392 -8.395 -11.613 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.334 -6.982 -12.045 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.065 -7.843 -9.160 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.241 -8.595 -10.219 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.153 -5.462 -8.890 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.728 -4.668 -8.984 1.00 0.00 H new ATOM 1073 N ASP A 68 12.988 -4.906 -12.657 1.00 0.00 N ATOM 1074 CA ASP A 68 13.268 -3.582 -13.201 1.00 0.00 C ATOM 1075 C ASP A 68 12.129 -2.615 -12.890 1.00 0.00 C ATOM 1076 O ASP A 68 12.351 -1.420 -12.701 1.00 0.00 O ATOM 1077 CB ASP A 68 13.486 -3.664 -14.712 1.00 0.00 C ATOM 1078 CG ASP A 68 14.926 -3.973 -15.073 1.00 0.00 C ATOM 1079 OD1 ASP A 68 15.719 -3.020 -15.215 1.00 0.00 O ATOM 1080 OD2 ASP A 68 15.258 -5.169 -15.215 1.00 0.00 O ATOM 0 H ASP A 68 12.911 -5.642 -13.359 1.00 0.00 H new ATOM 0 HA ASP A 68 14.177 -3.207 -12.731 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.837 -4.434 -15.129 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.194 -2.719 -15.170 1.00 0.00 H new ATOM 1085 N ALA A 69 10.910 -3.142 -12.841 1.00 0.00 N ATOM 1086 CA ALA A 69 9.736 -2.326 -12.554 1.00 0.00 C ATOM 1087 C ALA A 69 9.849 -1.667 -11.183 1.00 0.00 C ATOM 1088 O ALA A 69 9.810 -0.441 -11.069 1.00 0.00 O ATOM 1089 CB ALA A 69 8.474 -3.171 -12.633 1.00 0.00 C ATOM 0 H ALA A 69 10.709 -4.130 -12.996 1.00 0.00 H new ATOM 0 HA ALA A 69 9.679 -1.537 -13.304 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.605 -2.549 -12.417 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.379 -3.591 -13.634 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.532 -3.980 -11.905 1.00 0.00 H new ATOM 1095 N ILE A 70 9.988 -2.487 -10.147 1.00 0.00 N ATOM 1096 CA ILE A 70 10.107 -1.982 -8.785 1.00 0.00 C ATOM 1097 C ILE A 70 11.351 -1.115 -8.626 1.00 0.00 C ATOM 1098 O ILE A 70 11.418 -0.263 -7.740 1.00 0.00 O ATOM 1099 CB ILE A 70 10.162 -3.132 -7.761 1.00 0.00 C ATOM 1100 CG1 ILE A 70 11.348 -4.051 -8.058 1.00 0.00 C ATOM 1101 CG2 ILE A 70 8.859 -3.917 -7.776 1.00 0.00 C ATOM 1102 CD1 ILE A 70 11.435 -5.244 -7.132 1.00 0.00 C ATOM 0 H ILE A 70 10.021 -3.503 -10.225 1.00 0.00 H new ATOM 0 HA ILE A 70 9.220 -1.378 -8.594 1.00 0.00 H new ATOM 0 HB ILE A 70 10.296 -2.708 -6.766 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.275 -4.404 -9.087 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.271 -3.476 -7.984 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.913 -4.726 -7.047 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.032 -3.254 -7.521 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.697 -4.334 -8.770 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.299 -5.851 -7.401 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.540 -4.899 -6.103 1.00 0.00 H new ATOM 0 HD13 ILE A 70 10.529 -5.842 -7.223 1.00 0.00 H new ATOM 1114 N ASP A 71 12.334 -1.336 -9.492 1.00 0.00 N ATOM 1115 CA ASP A 71 13.576 -0.573 -9.450 1.00 0.00 C ATOM 1116 C ASP A 71 13.419 0.760 -10.175 1.00 0.00 C ATOM 1117 O ASP A 71 14.107 1.732 -9.864 1.00 0.00 O ATOM 1118 CB ASP A 71 14.715 -1.377 -10.078 1.00 0.00 C ATOM 1119 CG ASP A 71 15.845 -1.640 -9.102 1.00 0.00 C ATOM 1120 OD1 ASP A 71 16.273 -0.685 -8.421 1.00 0.00 O ATOM 1121 OD2 ASP A 71 16.301 -2.800 -9.020 1.00 0.00 O ATOM 0 H ASP A 71 12.295 -2.037 -10.232 1.00 0.00 H new ATOM 0 HA ASP A 71 13.815 -0.373 -8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.326 -2.327 -10.444 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.103 -0.838 -10.942 1.00 0.00 H new ATOM 1126 N TYR A 72 12.509 0.798 -11.142 1.00 0.00 N ATOM 1127 CA TYR A 72 12.264 2.011 -11.913 1.00 0.00 C ATOM 1128 C TYR A 72 11.374 2.979 -11.139 1.00 0.00 C ATOM 1129 O TYR A 72 11.442 4.193 -11.333 1.00 0.00 O ATOM 1130 CB TYR A 72 11.614 1.666 -13.254 1.00 0.00 C ATOM 1131 CG TYR A 72 10.272 2.329 -13.466 1.00 0.00 C ATOM 1132 CD1 TYR A 72 10.188 3.661 -13.854 1.00 0.00 C ATOM 1133 CD2 TYR A 72 9.089 1.626 -13.276 1.00 0.00 C ATOM 1134 CE1 TYR A 72 8.964 4.272 -14.048 1.00 0.00 C ATOM 1135 CE2 TYR A 72 7.861 2.228 -13.469 1.00 0.00 C ATOM 1136 CZ TYR A 72 7.804 3.552 -13.855 1.00 0.00 C ATOM 1137 OH TYR A 72 6.582 4.156 -14.047 1.00 0.00 O ATOM 0 H TYR A 72 11.929 0.003 -11.410 1.00 0.00 H new ATOM 0 HA TYR A 72 13.224 2.494 -12.095 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.286 1.960 -14.060 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.490 0.585 -13.321 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.095 4.228 -14.006 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.130 0.590 -12.972 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.916 5.308 -14.349 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.951 1.666 -13.319 1.00 0.00 H new ATOM 0 HH TYR A 72 6.090 3.683 -14.750 1.00 0.00 H new ATOM 1147 N ILE A 73 10.541 2.432 -10.260 1.00 0.00 N ATOM 1148 CA ILE A 73 9.639 3.246 -9.454 1.00 0.00 C ATOM 1149 C ILE A 73 10.312 3.697 -8.163 1.00 0.00 C ATOM 1150 O ILE A 73 10.076 4.806 -7.683 1.00 0.00 O ATOM 1151 CB ILE A 73 8.349 2.480 -9.108 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.676 1.232 -8.285 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.599 2.104 -10.377 1.00 0.00 C ATOM 1154 CD1 ILE A 73 8.555 1.444 -6.792 1.00 0.00 C ATOM 0 H ILE A 73 10.472 1.429 -10.088 1.00 0.00 H new ATOM 0 HA ILE A 73 9.383 4.121 -10.052 1.00 0.00 H new ATOM 0 HB ILE A 73 7.708 3.128 -8.510 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.008 0.424 -8.584 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.691 0.909 -8.517 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.690 1.563 -10.115 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.338 3.008 -10.927 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.231 1.471 -10.999 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.801 0.518 -6.272 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.243 2.230 -6.479 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.534 1.737 -6.548 1.00 0.00 H new ATOM 1166 N GLU A 74 11.152 2.831 -7.605 1.00 0.00 N ATOM 1167 CA GLU A 74 11.860 3.141 -6.369 1.00 0.00 C ATOM 1168 C GLU A 74 12.989 4.136 -6.623 1.00 0.00 C ATOM 1169 O GLU A 74 13.273 4.997 -5.791 1.00 0.00 O ATOM 1170 CB GLU A 74 12.422 1.864 -5.742 1.00 0.00 C ATOM 1171 CG GLU A 74 11.385 1.046 -4.991 1.00 0.00 C ATOM 1172 CD GLU A 74 11.767 0.808 -3.543 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.943 0.474 -3.288 1.00 0.00 O ATOM 1174 OE2 GLU A 74 10.890 0.954 -2.666 1.00 0.00 O ATOM 0 H GLU A 74 11.359 1.909 -7.990 1.00 0.00 H new ATOM 0 HA GLU A 74 11.149 3.593 -5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.860 1.247 -6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.228 2.130 -5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.425 1.560 -5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.253 0.086 -5.491 1.00 0.00 H new ATOM 1181 N LYS A 75 13.631 4.010 -7.780 1.00 0.00 N ATOM 1182 CA LYS A 75 14.729 4.896 -8.147 1.00 0.00 C ATOM 1183 C LYS A 75 14.206 6.269 -8.557 1.00 0.00 C ATOM 1184 O LYS A 75 14.822 7.292 -8.262 1.00 0.00 O ATOM 1185 CB LYS A 75 15.543 4.286 -9.290 1.00 0.00 C ATOM 1186 CG LYS A 75 14.872 4.409 -10.648 1.00 0.00 C ATOM 1187 CD LYS A 75 15.554 3.535 -11.687 1.00 0.00 C ATOM 1188 CE LYS A 75 16.885 4.125 -12.126 1.00 0.00 C ATOM 1189 NZ LYS A 75 16.844 4.599 -13.537 1.00 0.00 N ATOM 0 H LYS A 75 13.409 3.302 -8.480 1.00 0.00 H new ATOM 0 HA LYS A 75 15.372 5.017 -7.276 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.518 4.772 -9.330 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.721 3.232 -9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.823 4.125 -10.564 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.895 5.449 -10.974 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.715 2.538 -11.276 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.902 3.422 -12.553 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.147 4.956 -11.471 1.00 0.00 H new ATOM 0 HE3 LYS A 75 17.668 3.375 -12.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.770 4.994 -13.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.619 3.801 -14.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.114 5.333 -13.635 1.00 0.00 H new ATOM 1203 N ASN A 76 13.064 6.283 -9.238 1.00 0.00 N ATOM 1204 CA ASN A 76 12.458 7.531 -9.688 1.00 0.00 C ATOM 1205 C ASN A 76 11.396 8.007 -8.701 1.00 0.00 C ATOM 1206 O ASN A 76 11.618 8.949 -7.942 1.00 0.00 O ATOM 1207 CB ASN A 76 11.837 7.350 -11.075 1.00 0.00 C ATOM 1208 CG ASN A 76 12.884 7.196 -12.161 1.00 0.00 C ATOM 1209 OD1 ASN A 76 14.004 7.693 -12.035 1.00 0.00 O ATOM 1210 ND2 ASN A 76 12.523 6.506 -13.237 1.00 0.00 N ATOM 0 H ASN A 76 12.540 5.445 -9.490 1.00 0.00 H new ATOM 0 HA ASN A 76 13.241 8.287 -9.744 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.191 6.472 -11.069 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.205 8.209 -11.302 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.185 6.370 -14.001 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.584 6.112 -13.299 1.00 0.00 H new ATOM 1217 N ASN A 77 10.243 7.347 -8.718 1.00 0.00 N ATOM 1218 CA ASN A 77 9.146 7.702 -7.825 1.00 0.00 C ATOM 1219 C ASN A 77 8.519 9.031 -8.234 1.00 0.00 C ATOM 1220 O ASN A 77 7.388 9.074 -8.718 1.00 0.00 O ATOM 1221 CB ASN A 77 9.643 7.783 -6.380 1.00 0.00 C ATOM 1222 CG ASN A 77 8.559 7.445 -5.376 1.00 0.00 C ATOM 1223 OD1 ASN A 77 8.319 8.194 -4.429 1.00 0.00 O ATOM 1224 ND2 ASN A 77 7.897 6.312 -5.579 1.00 0.00 N ATOM 0 H ASN A 77 10.044 6.564 -9.340 1.00 0.00 H new ATOM 0 HA ASN A 77 8.386 6.925 -7.898 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.482 7.100 -6.248 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.016 8.788 -6.183 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.156 6.032 -4.936 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.130 5.722 -6.378 1.00 0.00 H new ATOM 1231 N LYS A 78 9.263 10.115 -8.038 1.00 0.00 N ATOM 1232 CA LYS A 78 8.782 11.446 -8.388 1.00 0.00 C ATOM 1233 C LYS A 78 9.818 12.509 -8.032 1.00 0.00 C ATOM 1234 O LYS A 78 9.931 13.529 -8.712 1.00 0.00 O ATOM 1235 CB LYS A 78 7.465 11.742 -7.667 1.00 0.00 C ATOM 1236 CG LYS A 78 7.488 11.391 -6.189 1.00 0.00 C ATOM 1237 CD LYS A 78 6.349 12.062 -5.439 1.00 0.00 C ATOM 1238 CE LYS A 78 6.749 12.409 -4.014 1.00 0.00 C ATOM 1239 NZ LYS A 78 7.707 13.549 -3.968 1.00 0.00 N ATOM 0 H LYS A 78 10.201 10.097 -7.639 1.00 0.00 H new ATOM 0 HA LYS A 78 8.613 11.472 -9.465 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.231 12.801 -7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.662 11.186 -8.151 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.417 10.310 -6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.440 11.697 -5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.050 12.968 -5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.482 11.401 -5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.858 12.660 -3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.200 11.537 -3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.734 13.941 -3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.656 13.216 -4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.400 14.287 -4.633 1.00 0.00 H new ATOM 1253 N GLN A 79 10.571 12.261 -6.966 1.00 0.00 N ATOM 1254 CA GLN A 79 11.597 13.197 -6.522 1.00 0.00 C ATOM 1255 C GLN A 79 11.001 14.577 -6.266 1.00 0.00 C ATOM 1256 O GLN A 79 9.783 14.755 -6.296 1.00 0.00 O ATOM 1257 CB GLN A 79 12.713 13.295 -7.564 1.00 0.00 C ATOM 1258 CG GLN A 79 13.421 11.975 -7.823 1.00 0.00 C ATOM 1259 CD GLN A 79 13.704 11.743 -9.294 1.00 0.00 C ATOM 1260 OE1 GLN A 79 14.779 12.077 -9.792 1.00 0.00 O ATOM 1261 NE2 GLN A 79 12.736 11.168 -10.000 1.00 0.00 N ATOM 0 H GLN A 79 10.490 11.420 -6.394 1.00 0.00 H new ATOM 0 HA GLN A 79 12.014 12.823 -5.587 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.293 13.662 -8.500 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.445 14.031 -7.232 1.00 0.00 H new ATOM 0 HG2 GLN A 79 14.360 11.956 -7.269 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.809 11.158 -7.441 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.860 10.907 -9.547 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.869 10.987 -10.995 1.00 0.00 H new TER 1270 GLN A 79 HETATM 1271 P24 PNS A 137 2.191 -2.988 -31.948 1.00 0.00 P HETATM 1272 O25 PNS A 137 1.438 -1.817 -32.764 1.00 0.00 O HETATM 1273 O26 PNS A 137 3.594 -3.173 -32.380 1.00 0.00 O HETATM 1274 O27 PNS A 137 1.275 -4.301 -32.129 1.00 0.00 O HETATM 1275 C28 PNS A 137 1.820 -5.623 -32.053 1.00 0.00 C HETATM 1276 C29 PNS A 137 0.749 -6.731 -31.969 1.00 0.00 C HETATM 1277 C30 PNS A 137 -0.243 -6.556 -33.135 1.00 0.00 C HETATM 1278 C31 PNS A 137 0.001 -6.561 -30.630 1.00 0.00 C HETATM 1279 C32 PNS A 137 1.488 -8.090 -32.018 1.00 0.00 C HETATM 1280 O33 PNS A 137 2.163 -8.264 -33.269 1.00 0.00 O HETATM 1281 C34 PNS A 137 0.611 -9.350 -31.796 1.00 0.00 C HETATM 1282 O35 PNS A 137 -0.601 -9.348 -32.027 1.00 0.00 O HETATM 1283 N36 PNS A 137 1.193 -10.473 -31.355 1.00 0.00 N HETATM 1284 C37 PNS A 137 2.630 -10.662 -31.073 1.00 0.00 C HETATM 1285 C38 PNS A 137 2.916 -12.162 -30.955 1.00 0.00 C HETATM 1286 C39 PNS A 137 4.434 -12.446 -30.921 1.00 0.00 C HETATM 1287 O40 PNS A 137 5.087 -12.287 -31.953 1.00 0.00 O HETATM 1288 N41 PNS A 137 5.004 -12.849 -29.778 1.00 0.00 N HETATM 1289 C42 PNS A 137 4.341 -13.090 -28.479 1.00 0.00 C HETATM 1290 C43 PNS A 137 5.380 -13.480 -27.428 1.00 0.00 C HETATM 1291 S44 PNS A 137 6.257 -15.046 -27.802 1.00 0.00 S HETATM 0 H432 PNS A 137 6.112 -12.677 -27.338 1.00 0.00 H new HETATM 0 H431 PNS A 137 4.887 -13.572 -26.460 1.00 0.00 H new HETATM 0 H422 PNS A 137 3.599 -13.882 -28.581 1.00 0.00 H new HETATM 0 H421 PNS A 137 3.808 -12.194 -28.161 1.00 0.00 H new HETATM 0 H382 PNS A 137 2.465 -12.687 -31.797 1.00 0.00 H new HETATM 0 H381 PNS A 137 2.451 -12.552 -30.050 1.00 0.00 H new HETATM 0 H372 PNS A 137 2.904 -10.152 -30.150 1.00 0.00 H new HETATM 0 H371 PNS A 137 3.232 -10.224 -31.870 1.00 0.00 H new HETATM 0 H313 PNS A 137 -0.765 -7.332 -30.541 1.00 0.00 H new HETATM 0 H312 PNS A 137 -0.468 -5.578 -30.598 1.00 0.00 H new HETATM 0 H311 PNS A 137 0.707 -6.653 -29.805 1.00 0.00 H new HETATM 0 H303 PNS A 137 -1.004 -7.334 -33.085 1.00 0.00 H new HETATM 0 H302 PNS A 137 0.292 -6.632 -34.082 1.00 0.00 H new HETATM 0 H301 PNS A 137 -0.719 -5.578 -33.064 1.00 0.00 H new HETATM 0 H282 PNS A 137 2.468 -5.690 -31.179 1.00 0.00 H new HETATM 0 H281 PNS A 137 2.445 -5.800 -32.928 1.00 0.00 H new HETATM 0 H44 PNS A 137 7.118 -15.296 -26.861 1.00 0.00 H new HETATM 0 H41 PNS A 137 6.011 -13.008 -29.807 1.00 0.00 H new HETATM 0 H36 PNS A 137 0.584 -11.276 -31.199 1.00 0.00 H new HETATM 0 H33 PNS A 137 1.633 -8.852 -33.847 1.00 0.00 H new HETATM 0 H32 PNS A 137 2.177 -8.023 -31.176 1.00 0.00 H new