USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 490 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -174:sc= -0.371 (180deg=-0.552) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0154) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.403 K(o=0.4,f=-1.6!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= 0.463 K(o=0.46,f=-1.5!) USER MOD Single : A 16 GLN : amide:sc= 0.551 K(o=0.55,f=-4.2!) USER MOD Single : A 18 THR OG1 : rot -80:sc= 0.661 USER MOD Single : A 23 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.12) USER MOD Single : A 27 THR OG1 : rot 61:sc= 0.0649 USER MOD Single : A 28 ASN : amide:sc= -1.5 K(o=-1.5,f=-3.7!) USER MOD Single : A 33 SER OG : rot 69:sc= 0.205 USER MOD Single : A 34 CYS SG : rot -121:sc= -4.98! USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 40 MET CE :methyl -174:sc= -0.491 (180deg=-0.632) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 43 ASN : amide:sc= -0.0376 K(o=-0.038,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.285 USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0159) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.165 2.897 -5.943 1.00 0.00 N ATOM 2 CA MET A 1 10.781 1.995 -4.830 1.00 0.00 C ATOM 3 C MET A 1 9.589 2.594 -4.060 1.00 0.00 C ATOM 4 O MET A 1 8.591 1.911 -3.816 1.00 0.00 O ATOM 5 CB MET A 1 12.016 1.754 -3.905 1.00 0.00 C ATOM 6 CG MET A 1 11.799 0.800 -2.712 1.00 0.00 C ATOM 7 SD MET A 1 10.824 1.508 -1.361 1.00 0.00 S ATOM 8 CE MET A 1 11.865 2.863 -0.814 1.00 0.00 C ATOM 0 H1 MET A 1 11.925 2.457 -6.500 1.00 0.00 H new ATOM 0 H2 MET A 1 10.340 3.065 -6.554 1.00 0.00 H new ATOM 0 H3 MET A 1 11.500 3.803 -5.556 1.00 0.00 H new ATOM 0 HA MET A 1 10.465 1.028 -5.222 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.829 1.360 -4.515 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.347 2.718 -3.517 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.302 -0.102 -3.069 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.771 0.496 -2.323 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.434 3.315 0.080 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.862 2.487 -0.586 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.932 3.612 -1.603 1.00 0.00 H new ATOM 18 N LYS A 2 9.699 3.888 -3.702 1.00 0.00 N ATOM 19 CA LYS A 2 8.707 4.588 -2.871 1.00 0.00 C ATOM 20 C LYS A 2 7.617 5.223 -3.763 1.00 0.00 C ATOM 21 O LYS A 2 7.876 6.192 -4.497 1.00 0.00 O ATOM 22 CB LYS A 2 9.430 5.631 -1.981 1.00 0.00 C ATOM 23 CG LYS A 2 8.529 6.323 -0.918 1.00 0.00 C ATOM 24 CD LYS A 2 9.289 6.687 0.384 1.00 0.00 C ATOM 25 CE LYS A 2 10.529 7.563 0.147 1.00 0.00 C ATOM 26 NZ LYS A 2 11.239 7.878 1.415 1.00 0.00 N ATOM 0 H LYS A 2 10.483 4.477 -3.984 1.00 0.00 H new ATOM 0 HA LYS A 2 8.202 3.882 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.258 5.139 -1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.863 6.398 -2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.102 7.229 -1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.696 5.664 -0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.609 7.208 1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.594 5.769 0.886 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.210 7.051 -0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.230 8.491 -0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.069 8.470 1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.598 8.390 2.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.548 6.995 1.869 1.00 0.00 H new ATOM 40 N ARG A 3 6.394 4.647 -3.676 1.00 0.00 N ATOM 41 CA ARG A 3 5.251 4.971 -4.562 1.00 0.00 C ATOM 42 C ARG A 3 4.720 6.404 -4.357 1.00 0.00 C ATOM 43 O ARG A 3 4.041 6.927 -5.239 1.00 0.00 O ATOM 44 CB ARG A 3 4.100 3.945 -4.345 1.00 0.00 C ATOM 45 CG ARG A 3 3.536 3.914 -2.904 1.00 0.00 C ATOM 46 CD ARG A 3 2.495 2.812 -2.668 1.00 0.00 C ATOM 47 NE ARG A 3 2.202 2.669 -1.231 1.00 0.00 N ATOM 48 CZ ARG A 3 1.365 1.773 -0.691 1.00 0.00 C ATOM 49 NH1 ARG A 3 0.625 0.980 -1.458 1.00 0.00 N ATOM 50 NH2 ARG A 3 1.275 1.673 0.622 1.00 0.00 N ATOM 0 H ARG A 3 6.171 3.936 -2.980 1.00 0.00 H new ATOM 0 HA ARG A 3 5.619 4.910 -5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 3 3.289 4.176 -5.035 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.463 2.950 -4.602 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.361 3.777 -2.204 1.00 0.00 H new ATOM 0 HG3 ARG A 3 3.085 4.881 -2.680 1.00 0.00 H new ATOM 0 HD2 ARG A 3 1.579 3.049 -3.209 1.00 0.00 H new ATOM 0 HD3 ARG A 3 2.864 1.866 -3.065 1.00 0.00 H new ATOM 0 HE ARG A 3 2.677 3.307 -0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 3 0.689 1.048 -2.474 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -0.007 0.303 -1.031 1.00 0.00 H new ATOM 0 HH21 ARG A 3 1.841 2.276 1.219 1.00 0.00 H new ATOM 0 HH22 ARG A 3 0.640 0.993 1.039 1.00 0.00 H new ATOM 64 N ALA A 4 5.025 7.016 -3.189 1.00 0.00 N ATOM 65 CA ALA A 4 4.628 8.408 -2.875 1.00 0.00 C ATOM 66 C ALA A 4 5.412 9.408 -3.748 1.00 0.00 C ATOM 67 O ALA A 4 4.823 10.307 -4.366 1.00 0.00 O ATOM 68 CB ALA A 4 4.841 8.690 -1.375 1.00 0.00 C ATOM 0 H ALA A 4 5.550 6.562 -2.442 1.00 0.00 H new ATOM 0 HA ALA A 4 3.569 8.533 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.547 9.716 -1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.234 8.002 -0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.893 8.552 -1.125 1.00 0.00 H new ATOM 74 N ALA A 5 6.747 9.215 -3.793 1.00 0.00 N ATOM 75 CA ALA A 5 7.661 10.006 -4.648 1.00 0.00 C ATOM 76 C ALA A 5 7.350 9.780 -6.133 1.00 0.00 C ATOM 77 O ALA A 5 7.402 10.711 -6.939 1.00 0.00 O ATOM 78 CB ALA A 5 9.119 9.630 -4.356 1.00 0.00 C ATOM 0 H ALA A 5 7.224 8.505 -3.237 1.00 0.00 H new ATOM 0 HA ALA A 5 7.512 11.061 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.781 10.219 -4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.345 9.834 -3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.269 8.570 -4.560 1.00 0.00 H new ATOM 84 N ALA A 6 7.010 8.518 -6.455 1.00 0.00 N ATOM 85 CA ALA A 6 6.647 8.075 -7.809 1.00 0.00 C ATOM 86 C ALA A 6 5.380 8.790 -8.314 1.00 0.00 C ATOM 87 O ALA A 6 5.364 9.299 -9.433 1.00 0.00 O ATOM 88 CB ALA A 6 6.449 6.556 -7.805 1.00 0.00 C ATOM 0 H ALA A 6 6.980 7.766 -5.767 1.00 0.00 H new ATOM 0 HA ALA A 6 7.456 8.334 -8.492 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.180 6.222 -8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.374 6.069 -7.497 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.652 6.295 -7.109 1.00 0.00 H new ATOM 94 N LYS A 7 4.343 8.830 -7.453 1.00 0.00 N ATOM 95 CA LYS A 7 3.048 9.502 -7.731 1.00 0.00 C ATOM 96 C LYS A 7 3.262 10.989 -8.052 1.00 0.00 C ATOM 97 O LYS A 7 2.781 11.492 -9.075 1.00 0.00 O ATOM 98 CB LYS A 7 2.096 9.328 -6.502 1.00 0.00 C ATOM 99 CG LYS A 7 0.782 10.163 -6.526 1.00 0.00 C ATOM 100 CD LYS A 7 -0.112 9.899 -7.764 1.00 0.00 C ATOM 101 CE LYS A 7 -1.393 10.756 -7.759 1.00 0.00 C ATOM 102 NZ LYS A 7 -2.201 10.570 -8.989 1.00 0.00 N ATOM 0 H LYS A 7 4.377 8.392 -6.532 1.00 0.00 H new ATOM 0 HA LYS A 7 2.588 9.040 -8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.831 8.274 -6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.650 9.587 -5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.209 9.945 -5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.037 11.222 -6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.457 10.107 -8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.384 8.844 -7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.996 10.498 -6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.123 11.807 -7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.052 11.166 -8.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.636 10.841 -9.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.482 9.572 -9.072 1.00 0.00 H new ATOM 116 N HIS A 8 4.017 11.656 -7.172 1.00 0.00 N ATOM 117 CA HIS A 8 4.286 13.098 -7.274 1.00 0.00 C ATOM 118 C HIS A 8 5.151 13.423 -8.499 1.00 0.00 C ATOM 119 O HIS A 8 4.984 14.484 -9.092 1.00 0.00 O ATOM 120 CB HIS A 8 4.924 13.624 -5.961 1.00 0.00 C ATOM 121 CG HIS A 8 4.016 13.491 -4.758 1.00 0.00 C ATOM 122 ND1 HIS A 8 2.651 13.302 -4.853 1.00 0.00 N ATOM 123 CD2 HIS A 8 4.282 13.532 -3.431 1.00 0.00 C ATOM 124 CE1 HIS A 8 2.130 13.226 -3.654 1.00 0.00 C ATOM 125 NE2 HIS A 8 3.097 13.362 -2.773 1.00 0.00 N ATOM 0 H HIS A 8 4.460 11.212 -6.367 1.00 0.00 H new ATOM 0 HA HIS A 8 3.336 13.614 -7.415 1.00 0.00 H new ATOM 0 HB2 HIS A 8 5.849 13.079 -5.771 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.192 14.672 -6.090 1.00 0.00 H new ATOM 0 HD1 HIS A 8 2.128 13.232 -5.726 1.00 0.00 H new ATOM 0 HD2 HIS A 8 5.252 13.673 -2.977 1.00 0.00 H new ATOM 0 HE1 HIS A 8 1.085 13.077 -3.427 1.00 0.00 H new ATOM 134 N LEU A 9 6.043 12.479 -8.886 1.00 0.00 N ATOM 135 CA LEU A 9 6.901 12.612 -10.091 1.00 0.00 C ATOM 136 C LEU A 9 6.041 12.614 -11.364 1.00 0.00 C ATOM 137 O LEU A 9 6.229 13.464 -12.238 1.00 0.00 O ATOM 138 CB LEU A 9 7.993 11.477 -10.141 1.00 0.00 C ATOM 139 CG LEU A 9 9.468 11.945 -9.948 1.00 0.00 C ATOM 140 CD1 LEU A 9 9.917 12.858 -11.104 1.00 0.00 C ATOM 141 CD2 LEU A 9 9.649 12.640 -8.586 1.00 0.00 C ATOM 0 H LEU A 9 6.188 11.608 -8.375 1.00 0.00 H new ATOM 0 HA LEU A 9 7.425 13.566 -10.033 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.761 10.742 -9.370 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.916 10.967 -11.101 1.00 0.00 H new ATOM 0 HG LEU A 9 10.106 11.061 -9.960 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.949 13.169 -10.942 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.845 12.314 -12.046 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.275 13.738 -11.143 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.686 12.957 -8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.995 13.510 -8.532 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.394 11.945 -7.786 1.00 0.00 H new ATOM 153 N ILE A 10 5.088 11.667 -11.434 1.00 0.00 N ATOM 154 CA ILE A 10 4.112 11.578 -12.538 1.00 0.00 C ATOM 155 C ILE A 10 3.311 12.900 -12.648 1.00 0.00 C ATOM 156 O ILE A 10 3.046 13.377 -13.748 1.00 0.00 O ATOM 157 CB ILE A 10 3.127 10.356 -12.335 1.00 0.00 C ATOM 158 CG1 ILE A 10 3.923 9.003 -12.266 1.00 0.00 C ATOM 159 CG2 ILE A 10 2.045 10.296 -13.449 1.00 0.00 C ATOM 160 CD1 ILE A 10 3.110 7.793 -11.815 1.00 0.00 C ATOM 0 H ILE A 10 4.972 10.941 -10.727 1.00 0.00 H new ATOM 0 HA ILE A 10 4.662 11.415 -13.465 1.00 0.00 H new ATOM 0 HB ILE A 10 2.614 10.507 -11.385 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.339 8.794 -13.252 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.765 9.129 -11.585 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.389 9.443 -13.273 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.458 11.214 -13.436 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.528 10.188 -14.420 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.749 6.910 -11.801 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.716 7.972 -10.815 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.284 7.631 -12.507 1.00 0.00 H new ATOM 172 N GLU A 11 2.970 13.483 -11.483 1.00 0.00 N ATOM 173 CA GLU A 11 2.240 14.764 -11.393 1.00 0.00 C ATOM 174 C GLU A 11 3.109 15.967 -11.819 1.00 0.00 C ATOM 175 O GLU A 11 2.572 16.977 -12.276 1.00 0.00 O ATOM 176 CB GLU A 11 1.710 14.987 -9.963 1.00 0.00 C ATOM 177 CG GLU A 11 0.668 13.952 -9.489 1.00 0.00 C ATOM 178 CD GLU A 11 0.185 14.221 -8.057 1.00 0.00 C ATOM 179 OE1 GLU A 11 -0.648 15.130 -7.863 1.00 0.00 O ATOM 180 OE2 GLU A 11 0.670 13.555 -7.114 1.00 0.00 O ATOM 0 H GLU A 11 3.193 13.078 -10.574 1.00 0.00 H new ATOM 0 HA GLU A 11 1.402 14.697 -12.087 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.553 14.975 -9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.266 15.981 -9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.186 13.964 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.102 12.953 -9.542 1.00 0.00 H new ATOM 187 N ARG A 12 4.443 15.866 -11.633 1.00 0.00 N ATOM 188 CA ARG A 12 5.398 16.916 -12.063 1.00 0.00 C ATOM 189 C ARG A 12 5.478 16.963 -13.594 1.00 0.00 C ATOM 190 O ARG A 12 5.420 18.042 -14.200 1.00 0.00 O ATOM 191 CB ARG A 12 6.811 16.686 -11.440 1.00 0.00 C ATOM 192 CG ARG A 12 6.909 16.797 -9.895 1.00 0.00 C ATOM 193 CD ARG A 12 6.583 18.203 -9.340 1.00 0.00 C ATOM 194 NE ARG A 12 5.154 18.578 -9.484 1.00 0.00 N ATOM 195 CZ ARG A 12 4.694 19.786 -9.859 1.00 0.00 C ATOM 196 NH1 ARG A 12 5.530 20.759 -10.197 1.00 0.00 N ATOM 197 NH2 ARG A 12 3.385 20.001 -9.928 1.00 0.00 N ATOM 0 H ARG A 12 4.887 15.064 -11.186 1.00 0.00 H new ATOM 0 HA ARG A 12 5.033 17.878 -11.702 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.157 15.695 -11.734 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.500 17.408 -11.879 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.228 16.074 -9.446 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.917 16.521 -9.585 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.856 18.241 -8.286 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.198 18.940 -9.856 1.00 0.00 H new ATOM 0 HE ARG A 12 4.461 17.858 -9.281 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.537 20.597 -10.175 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.166 21.669 -10.479 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.732 19.252 -9.697 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.033 20.915 -10.212 1.00 0.00 H new ATOM 211 N TYR A 13 5.584 15.768 -14.197 1.00 0.00 N ATOM 212 CA TYR A 13 5.573 15.601 -15.657 1.00 0.00 C ATOM 213 C TYR A 13 4.198 15.995 -16.238 1.00 0.00 C ATOM 214 O TYR A 13 4.130 16.675 -17.248 1.00 0.00 O ATOM 215 CB TYR A 13 5.938 14.148 -16.042 1.00 0.00 C ATOM 216 CG TYR A 13 7.393 13.752 -15.729 1.00 0.00 C ATOM 217 CD1 TYR A 13 8.470 14.363 -16.388 1.00 0.00 C ATOM 218 CD2 TYR A 13 7.694 12.753 -14.801 1.00 0.00 C ATOM 219 CE1 TYR A 13 9.776 13.985 -16.127 1.00 0.00 C ATOM 220 CE2 TYR A 13 8.994 12.387 -14.540 1.00 0.00 C ATOM 221 CZ TYR A 13 10.027 13.002 -15.205 1.00 0.00 C ATOM 222 OH TYR A 13 11.319 12.615 -14.953 1.00 0.00 O ATOM 0 H TYR A 13 5.680 14.891 -13.685 1.00 0.00 H new ATOM 0 HA TYR A 13 6.325 16.264 -16.085 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.268 13.467 -15.517 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.759 14.012 -17.109 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.277 15.142 -17.111 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.890 12.258 -14.277 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.593 14.462 -16.647 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.203 11.616 -13.813 1.00 0.00 H new ATOM 0 HH TYR A 13 11.322 11.909 -14.273 1.00 0.00 H new ATOM 232 N TYR A 14 3.111 15.607 -15.545 1.00 0.00 N ATOM 233 CA TYR A 14 1.719 15.910 -15.961 1.00 0.00 C ATOM 234 C TYR A 14 1.487 17.431 -16.010 1.00 0.00 C ATOM 235 O TYR A 14 0.909 17.950 -16.967 1.00 0.00 O ATOM 236 CB TYR A 14 0.697 15.239 -14.995 1.00 0.00 C ATOM 237 CG TYR A 14 -0.766 15.457 -15.413 1.00 0.00 C ATOM 238 CD1 TYR A 14 -1.283 14.829 -16.542 1.00 0.00 C ATOM 239 CD2 TYR A 14 -1.611 16.321 -14.708 1.00 0.00 C ATOM 240 CE1 TYR A 14 -2.581 15.046 -16.951 1.00 0.00 C ATOM 241 CE2 TYR A 14 -2.908 16.544 -15.119 1.00 0.00 C ATOM 242 CZ TYR A 14 -3.390 15.900 -16.241 1.00 0.00 C ATOM 243 OH TYR A 14 -4.680 16.120 -16.666 1.00 0.00 O ATOM 0 H TYR A 14 3.168 15.073 -14.678 1.00 0.00 H new ATOM 0 HA TYR A 14 1.568 15.503 -16.961 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.899 14.169 -14.949 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.844 15.634 -13.990 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.655 14.158 -17.109 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.241 16.822 -13.826 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.962 14.545 -17.829 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.544 17.219 -14.566 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.123 16.747 -16.057 1.00 0.00 H new ATOM 253 N HIS A 15 1.967 18.108 -14.955 1.00 0.00 N ATOM 254 CA HIS A 15 1.969 19.577 -14.843 1.00 0.00 C ATOM 255 C HIS A 15 2.763 20.205 -16.003 1.00 0.00 C ATOM 256 O HIS A 15 2.401 21.264 -16.508 1.00 0.00 O ATOM 257 CB HIS A 15 2.568 20.000 -13.463 1.00 0.00 C ATOM 258 CG HIS A 15 3.055 21.431 -13.371 1.00 0.00 C ATOM 259 ND1 HIS A 15 2.206 22.506 -13.295 1.00 0.00 N ATOM 260 CD2 HIS A 15 4.310 21.952 -13.388 1.00 0.00 C ATOM 261 CE1 HIS A 15 2.904 23.619 -13.271 1.00 0.00 C ATOM 262 NE2 HIS A 15 4.182 23.311 -13.323 1.00 0.00 N ATOM 0 H HIS A 15 2.371 17.643 -14.142 1.00 0.00 H new ATOM 0 HA HIS A 15 0.943 19.941 -14.904 1.00 0.00 H new ATOM 0 HB2 HIS A 15 1.811 19.843 -12.695 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.401 19.336 -13.230 1.00 0.00 H new ATOM 0 HD1 HIS A 15 1.188 22.450 -13.262 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.235 21.397 -13.443 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.497 24.618 -13.218 1.00 0.00 H new ATOM 271 N GLN A 16 3.848 19.527 -16.400 1.00 0.00 N ATOM 272 CA GLN A 16 4.749 19.995 -17.462 1.00 0.00 C ATOM 273 C GLN A 16 4.080 19.943 -18.857 1.00 0.00 C ATOM 274 O GLN A 16 4.399 20.771 -19.707 1.00 0.00 O ATOM 275 CB GLN A 16 6.070 19.181 -17.418 1.00 0.00 C ATOM 276 CG GLN A 16 7.132 19.595 -18.453 1.00 0.00 C ATOM 277 CD GLN A 16 8.479 18.900 -18.238 1.00 0.00 C ATOM 278 OE1 GLN A 16 9.341 19.419 -17.537 1.00 0.00 O ATOM 279 NE2 GLN A 16 8.659 17.724 -18.824 1.00 0.00 N ATOM 0 H GLN A 16 4.127 18.635 -15.992 1.00 0.00 H new ATOM 0 HA GLN A 16 4.982 21.045 -17.282 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.502 19.274 -16.422 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.833 18.127 -17.566 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.766 19.364 -19.453 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.275 20.675 -18.407 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.919 17.323 -19.400 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.537 17.221 -18.698 1.00 0.00 H new ATOM 288 N LEU A 17 3.141 18.998 -19.089 1.00 0.00 N ATOM 289 CA LEU A 17 2.405 18.926 -20.387 1.00 0.00 C ATOM 290 C LEU A 17 1.161 19.834 -20.397 1.00 0.00 C ATOM 291 O LEU A 17 0.829 20.416 -21.431 1.00 0.00 O ATOM 292 CB LEU A 17 1.975 17.469 -20.753 1.00 0.00 C ATOM 293 CG LEU A 17 3.085 16.493 -21.274 1.00 0.00 C ATOM 294 CD1 LEU A 17 3.943 17.139 -22.384 1.00 0.00 C ATOM 295 CD2 LEU A 17 3.952 15.949 -20.136 1.00 0.00 C ATOM 0 H LEU A 17 2.873 18.283 -18.412 1.00 0.00 H new ATOM 0 HA LEU A 17 3.111 19.279 -21.139 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.522 17.021 -19.869 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.197 17.530 -21.514 1.00 0.00 H new ATOM 0 HG LEU A 17 2.571 15.641 -21.718 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.700 16.430 -22.718 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.305 17.411 -23.225 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.430 18.033 -21.994 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.708 15.277 -20.543 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.441 16.777 -19.623 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.325 15.405 -19.430 1.00 0.00 H new ATOM 307 N THR A 18 0.447 19.914 -19.260 1.00 0.00 N ATOM 308 CA THR A 18 -0.827 20.665 -19.171 1.00 0.00 C ATOM 309 C THR A 18 -0.590 22.187 -19.100 1.00 0.00 C ATOM 310 O THR A 18 -1.304 22.973 -19.738 1.00 0.00 O ATOM 311 CB THR A 18 -1.666 20.190 -17.939 1.00 0.00 C ATOM 312 OG1 THR A 18 -0.855 20.267 -16.745 1.00 0.00 O ATOM 313 CG2 THR A 18 -2.189 18.748 -18.126 1.00 0.00 C ATOM 0 H THR A 18 0.728 19.468 -18.386 1.00 0.00 H new ATOM 0 HA THR A 18 -1.389 20.457 -20.082 1.00 0.00 H new ATOM 0 HB THR A 18 -2.531 20.847 -17.845 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.268 19.484 -16.698 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.767 18.454 -17.250 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.824 18.703 -19.011 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.346 18.068 -18.249 1.00 0.00 H new ATOM 321 N GLU A 19 0.425 22.582 -18.321 1.00 0.00 N ATOM 322 CA GLU A 19 0.742 23.994 -18.050 1.00 0.00 C ATOM 323 C GLU A 19 2.122 24.340 -18.622 1.00 0.00 C ATOM 324 O GLU A 19 2.258 25.248 -19.452 1.00 0.00 O ATOM 325 CB GLU A 19 0.680 24.242 -16.518 1.00 0.00 C ATOM 326 CG GLU A 19 -0.705 23.944 -15.891 1.00 0.00 C ATOM 327 CD GLU A 19 -0.753 24.193 -14.378 1.00 0.00 C ATOM 328 OE1 GLU A 19 -0.885 25.363 -13.965 1.00 0.00 O ATOM 329 OE2 GLU A 19 -0.659 23.221 -13.596 1.00 0.00 O ATOM 0 H GLU A 19 1.055 21.928 -17.857 1.00 0.00 H new ATOM 0 HA GLU A 19 0.013 24.643 -18.535 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.431 23.622 -16.028 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.944 25.280 -16.317 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.458 24.564 -16.378 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.970 22.906 -16.090 1.00 0.00 H new ATOM 336 N GLY A 20 3.144 23.594 -18.183 1.00 0.00 N ATOM 337 CA GLY A 20 4.526 23.795 -18.621 1.00 0.00 C ATOM 338 C GLY A 20 5.436 24.110 -17.452 1.00 0.00 C ATOM 339 O GLY A 20 5.551 23.310 -16.514 1.00 0.00 O ATOM 0 H GLY A 20 3.033 22.833 -17.513 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.882 22.899 -19.130 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.565 24.609 -19.344 1.00 0.00 H new ATOM 343 N CYS A 21 6.082 25.280 -17.506 1.00 0.00 N ATOM 344 CA CYS A 21 6.997 25.747 -16.446 1.00 0.00 C ATOM 345 C CYS A 21 7.015 27.285 -16.340 1.00 0.00 C ATOM 346 O CYS A 21 7.763 27.827 -15.535 1.00 0.00 O ATOM 347 CB CYS A 21 8.421 25.195 -16.693 1.00 0.00 C ATOM 348 SG CYS A 21 9.105 25.528 -18.353 1.00 0.00 S ATOM 0 H CYS A 21 5.989 25.933 -18.284 1.00 0.00 H new ATOM 0 HA CYS A 21 6.629 25.365 -15.494 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.093 25.621 -15.948 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.409 24.117 -16.532 1.00 0.00 H new ATOM 353 N GLY A 22 6.187 27.978 -17.146 1.00 0.00 N ATOM 354 CA GLY A 22 6.176 29.452 -17.184 1.00 0.00 C ATOM 355 C GLY A 22 7.212 30.008 -18.157 1.00 0.00 C ATOM 356 O GLY A 22 6.949 30.985 -18.872 1.00 0.00 O ATOM 0 H GLY A 22 5.518 27.540 -17.779 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.184 29.800 -17.473 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.371 29.842 -16.185 1.00 0.00 H new ATOM 360 N ASN A 23 8.406 29.394 -18.137 1.00 0.00 N ATOM 361 CA ASN A 23 9.477 29.640 -19.106 1.00 0.00 C ATOM 362 C ASN A 23 8.989 29.304 -20.539 1.00 0.00 C ATOM 363 O ASN A 23 8.806 28.122 -20.887 1.00 0.00 O ATOM 364 CB ASN A 23 10.720 28.783 -18.707 1.00 0.00 C ATOM 365 CG ASN A 23 11.928 28.885 -19.652 1.00 0.00 C ATOM 366 OD1 ASN A 23 12.647 27.910 -19.841 1.00 0.00 O ATOM 367 ND2 ASN A 23 12.188 30.060 -20.211 1.00 0.00 N ATOM 0 H ASN A 23 8.655 28.700 -17.432 1.00 0.00 H new ATOM 0 HA ASN A 23 9.759 30.693 -19.098 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.037 29.079 -17.707 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.415 27.738 -18.648 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.003 30.168 -20.815 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.573 30.855 -20.037 1.00 0.00 H new ATOM 374 N GLU A 24 8.716 30.365 -21.331 1.00 0.00 N ATOM 375 CA GLU A 24 8.326 30.236 -22.747 1.00 0.00 C ATOM 376 C GLU A 24 9.541 29.857 -23.618 1.00 0.00 C ATOM 377 O GLU A 24 9.413 29.109 -24.595 1.00 0.00 O ATOM 378 CB GLU A 24 7.662 31.542 -23.276 1.00 0.00 C ATOM 379 CG GLU A 24 8.541 32.808 -23.166 1.00 0.00 C ATOM 380 CD GLU A 24 7.883 34.071 -23.741 1.00 0.00 C ATOM 381 OE1 GLU A 24 6.914 34.575 -23.141 1.00 0.00 O ATOM 382 OE2 GLU A 24 8.336 34.566 -24.795 1.00 0.00 O ATOM 0 H GLU A 24 8.761 31.330 -21.005 1.00 0.00 H new ATOM 0 HA GLU A 24 7.589 29.435 -22.813 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.389 31.396 -24.321 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.736 31.711 -22.726 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.783 32.981 -22.117 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.483 32.631 -23.686 1.00 0.00 H new ATOM 389 N ALA A 25 10.723 30.380 -23.233 1.00 0.00 N ATOM 390 CA ALA A 25 12.008 30.069 -23.880 1.00 0.00 C ATOM 391 C ALA A 25 12.592 28.791 -23.260 1.00 0.00 C ATOM 392 O ALA A 25 13.652 28.807 -22.628 1.00 0.00 O ATOM 393 CB ALA A 25 12.957 31.273 -23.761 1.00 0.00 C ATOM 0 H ALA A 25 10.810 31.036 -22.457 1.00 0.00 H new ATOM 0 HA ALA A 25 11.864 29.882 -24.944 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.906 31.037 -24.242 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.509 32.139 -24.248 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.129 31.498 -22.708 1.00 0.00 H new ATOM 399 N CYS A 26 11.847 27.691 -23.415 1.00 0.00 N ATOM 400 CA CYS A 26 12.181 26.385 -22.834 1.00 0.00 C ATOM 401 C CYS A 26 12.500 25.383 -23.948 1.00 0.00 C ATOM 402 O CYS A 26 11.636 25.097 -24.786 1.00 0.00 O ATOM 403 CB CYS A 26 10.997 25.883 -21.985 1.00 0.00 C ATOM 404 SG CYS A 26 11.193 24.197 -21.333 1.00 0.00 S ATOM 0 H CYS A 26 10.982 27.682 -23.956 1.00 0.00 H new ATOM 0 HA CYS A 26 13.059 26.486 -22.196 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.851 26.567 -21.149 1.00 0.00 H new ATOM 0 HB3 CYS A 26 10.091 25.921 -22.590 1.00 0.00 H new ATOM 409 N THR A 27 13.737 24.846 -23.954 1.00 0.00 N ATOM 410 CA THR A 27 14.220 23.912 -24.991 1.00 0.00 C ATOM 411 C THR A 27 13.867 22.443 -24.645 1.00 0.00 C ATOM 412 O THR A 27 14.744 21.577 -24.524 1.00 0.00 O ATOM 413 CB THR A 27 15.764 24.092 -25.203 1.00 0.00 C ATOM 414 OG1 THR A 27 16.455 23.880 -23.960 1.00 0.00 O ATOM 415 CG2 THR A 27 16.111 25.492 -25.746 1.00 0.00 C ATOM 0 H THR A 27 14.432 25.049 -23.236 1.00 0.00 H new ATOM 0 HA THR A 27 13.712 24.149 -25.926 1.00 0.00 H new ATOM 0 HB THR A 27 16.081 23.355 -25.941 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.282 22.970 -23.640 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.190 25.574 -25.878 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.615 25.643 -26.705 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.773 26.250 -25.039 1.00 0.00 H new ATOM 423 N ASN A 28 12.558 22.182 -24.491 1.00 0.00 N ATOM 424 CA ASN A 28 12.037 20.840 -24.185 1.00 0.00 C ATOM 425 C ASN A 28 10.714 20.628 -24.939 1.00 0.00 C ATOM 426 O ASN A 28 9.718 21.307 -24.660 1.00 0.00 O ATOM 427 CB ASN A 28 11.844 20.669 -22.646 1.00 0.00 C ATOM 428 CG ASN A 28 11.341 19.273 -22.217 1.00 0.00 C ATOM 429 OD1 ASN A 28 11.529 18.274 -22.917 1.00 0.00 O ATOM 430 ND2 ASN A 28 10.744 19.194 -21.029 1.00 0.00 N ATOM 0 H ASN A 28 11.833 22.894 -24.575 1.00 0.00 H new ATOM 0 HA ASN A 28 12.753 20.086 -24.512 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.793 20.868 -22.149 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.136 21.420 -22.295 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.429 18.291 -20.676 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.602 20.037 -20.472 1.00 0.00 H new ATOM 437 N GLU A 29 10.738 19.694 -25.909 1.00 0.00 N ATOM 438 CA GLU A 29 9.555 19.289 -26.712 1.00 0.00 C ATOM 439 C GLU A 29 8.465 18.635 -25.829 1.00 0.00 C ATOM 440 O GLU A 29 7.270 18.715 -26.134 1.00 0.00 O ATOM 441 CB GLU A 29 10.022 18.311 -27.821 1.00 0.00 C ATOM 442 CG GLU A 29 10.705 17.033 -27.273 1.00 0.00 C ATOM 443 CD GLU A 29 11.338 16.158 -28.358 1.00 0.00 C ATOM 444 OE1 GLU A 29 10.614 15.351 -28.983 1.00 0.00 O ATOM 445 OE2 GLU A 29 12.569 16.262 -28.587 1.00 0.00 O ATOM 0 H GLU A 29 11.587 19.190 -26.165 1.00 0.00 H new ATOM 0 HA GLU A 29 9.109 20.176 -27.162 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.162 18.023 -28.425 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.717 18.829 -28.482 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.475 17.322 -26.557 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.968 16.443 -26.728 1.00 0.00 H new ATOM 452 N PHE A 30 8.917 18.032 -24.711 1.00 0.00 N ATOM 453 CA PHE A 30 8.062 17.331 -23.729 1.00 0.00 C ATOM 454 C PHE A 30 7.544 18.318 -22.657 1.00 0.00 C ATOM 455 O PHE A 30 7.399 17.957 -21.477 1.00 0.00 O ATOM 456 CB PHE A 30 8.896 16.201 -23.065 1.00 0.00 C ATOM 457 CG PHE A 30 9.480 15.174 -24.042 1.00 0.00 C ATOM 458 CD1 PHE A 30 8.647 14.473 -24.914 1.00 0.00 C ATOM 459 CD2 PHE A 30 10.848 14.901 -24.075 1.00 0.00 C ATOM 460 CE1 PHE A 30 9.162 13.531 -25.791 1.00 0.00 C ATOM 461 CE2 PHE A 30 11.360 13.960 -24.950 1.00 0.00 C ATOM 462 CZ PHE A 30 10.518 13.277 -25.806 1.00 0.00 C ATOM 0 H PHE A 30 9.905 18.018 -24.460 1.00 0.00 H new ATOM 0 HA PHE A 30 7.196 16.904 -24.236 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.714 16.654 -22.504 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.266 15.679 -22.345 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.585 14.667 -24.906 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.514 15.430 -23.410 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.504 12.997 -26.461 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.421 13.759 -24.964 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.922 12.543 -26.488 1.00 0.00 H new ATOM 472 N CYS A 31 7.225 19.550 -23.082 1.00 0.00 N ATOM 473 CA CYS A 31 6.874 20.639 -22.168 1.00 0.00 C ATOM 474 C CYS A 31 5.970 21.647 -22.863 1.00 0.00 C ATOM 475 O CYS A 31 6.214 21.996 -24.016 1.00 0.00 O ATOM 476 CB CYS A 31 8.139 21.362 -21.688 1.00 0.00 C ATOM 477 SG CYS A 31 7.845 22.627 -20.423 1.00 0.00 S ATOM 0 H CYS A 31 7.204 19.815 -24.067 1.00 0.00 H new ATOM 0 HA CYS A 31 6.352 20.206 -21.315 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.836 20.624 -21.291 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.623 21.829 -22.546 1.00 0.00 H new ATOM 482 N ALA A 32 4.968 22.138 -22.124 1.00 0.00 N ATOM 483 CA ALA A 32 4.051 23.182 -22.575 1.00 0.00 C ATOM 484 C ALA A 32 4.673 24.559 -22.340 1.00 0.00 C ATOM 485 O ALA A 32 5.670 24.683 -21.607 1.00 0.00 O ATOM 486 CB ALA A 32 2.695 23.028 -21.872 1.00 0.00 C ATOM 0 H ALA A 32 4.771 21.812 -21.178 1.00 0.00 H new ATOM 0 HA ALA A 32 3.875 23.082 -23.646 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.017 23.810 -22.214 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.271 22.052 -22.108 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.832 23.112 -20.794 1.00 0.00 H new ATOM 492 N SER A 33 4.093 25.571 -23.015 1.00 0.00 N ATOM 493 CA SER A 33 4.608 26.960 -23.088 1.00 0.00 C ATOM 494 C SER A 33 5.895 27.037 -23.954 1.00 0.00 C ATOM 495 O SER A 33 6.435 28.123 -24.149 1.00 0.00 O ATOM 496 CB SER A 33 4.845 27.579 -21.671 1.00 0.00 C ATOM 497 OG SER A 33 3.688 27.483 -20.842 1.00 0.00 O ATOM 0 H SER A 33 3.228 25.445 -23.541 1.00 0.00 H new ATOM 0 HA SER A 33 3.837 27.559 -23.572 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.679 27.070 -21.188 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.129 28.626 -21.776 1.00 0.00 H new ATOM 0 HG SER A 33 3.529 26.544 -20.610 1.00 0.00 H new ATOM 503 N CYS A 34 6.337 25.888 -24.527 1.00 0.00 N ATOM 504 CA CYS A 34 7.523 25.812 -25.395 1.00 0.00 C ATOM 505 C CYS A 34 7.104 25.965 -26.875 1.00 0.00 C ATOM 506 O CYS A 34 5.997 25.536 -27.236 1.00 0.00 O ATOM 507 CB CYS A 34 8.219 24.455 -25.158 1.00 0.00 C ATOM 508 SG CYS A 34 8.595 24.153 -23.419 1.00 0.00 S ATOM 0 H CYS A 34 5.873 24.989 -24.394 1.00 0.00 H new ATOM 0 HA CYS A 34 8.216 26.619 -25.158 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.580 23.655 -25.531 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.143 24.420 -25.736 1.00 0.00 H new ATOM 0 HG CYS A 34 9.877 23.990 -23.274 1.00 0.00 H new ATOM 514 N PRO A 35 7.964 26.595 -27.749 1.00 0.00 N ATOM 515 CA PRO A 35 7.706 26.709 -29.214 1.00 0.00 C ATOM 516 C PRO A 35 7.536 25.329 -29.885 1.00 0.00 C ATOM 517 O PRO A 35 6.791 25.173 -30.856 1.00 0.00 O ATOM 518 CB PRO A 35 8.970 27.438 -29.764 1.00 0.00 C ATOM 519 CG PRO A 35 9.596 28.104 -28.577 1.00 0.00 C ATOM 520 CD PRO A 35 9.241 27.254 -27.374 1.00 0.00 C ATOM 0 HA PRO A 35 6.778 27.243 -29.421 1.00 0.00 H new ATOM 0 HB2 PRO A 35 9.660 26.732 -30.227 1.00 0.00 H new ATOM 0 HB3 PRO A 35 8.701 28.168 -30.527 1.00 0.00 H new ATOM 0 HG2 PRO A 35 10.677 28.175 -28.697 1.00 0.00 H new ATOM 0 HG3 PRO A 35 9.221 29.120 -28.459 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.019 26.521 -27.163 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.125 27.863 -26.478 1.00 0.00 H new ATOM 528 N THR A 36 8.245 24.342 -29.314 1.00 0.00 N ATOM 529 CA THR A 36 8.314 22.964 -29.810 1.00 0.00 C ATOM 530 C THR A 36 7.168 22.074 -29.257 1.00 0.00 C ATOM 531 O THR A 36 7.229 20.847 -29.374 1.00 0.00 O ATOM 532 CB THR A 36 9.711 22.368 -29.416 1.00 0.00 C ATOM 533 OG1 THR A 36 9.907 22.484 -27.990 1.00 0.00 O ATOM 534 CG2 THR A 36 10.863 23.091 -30.149 1.00 0.00 C ATOM 0 H THR A 36 8.801 24.488 -28.471 1.00 0.00 H new ATOM 0 HA THR A 36 8.193 22.979 -30.893 1.00 0.00 H new ATOM 0 HB THR A 36 9.721 21.319 -29.712 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.780 22.109 -27.748 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.815 22.652 -29.852 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.734 22.983 -31.226 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.854 24.149 -29.887 1.00 0.00 H new ATOM 542 N PHE A 37 6.122 22.698 -28.665 1.00 0.00 N ATOM 543 CA PHE A 37 4.961 21.967 -28.109 1.00 0.00 C ATOM 544 C PHE A 37 3.738 22.128 -29.028 1.00 0.00 C ATOM 545 O PHE A 37 3.446 23.234 -29.502 1.00 0.00 O ATOM 546 CB PHE A 37 4.626 22.477 -26.682 1.00 0.00 C ATOM 547 CG PHE A 37 3.510 21.694 -25.963 1.00 0.00 C ATOM 548 CD1 PHE A 37 3.736 20.396 -25.511 1.00 0.00 C ATOM 549 CD2 PHE A 37 2.254 22.265 -25.729 1.00 0.00 C ATOM 550 CE1 PHE A 37 2.745 19.691 -24.851 1.00 0.00 C ATOM 551 CE2 PHE A 37 1.264 21.557 -25.074 1.00 0.00 C ATOM 552 CZ PHE A 37 1.512 20.271 -24.631 1.00 0.00 C ATOM 0 H PHE A 37 6.060 23.711 -28.561 1.00 0.00 H new ATOM 0 HA PHE A 37 5.219 20.910 -28.048 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.530 22.435 -26.074 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.333 23.525 -26.745 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.698 19.934 -25.678 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.056 23.272 -26.065 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.937 18.685 -24.507 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.297 22.008 -24.908 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.741 19.720 -24.113 1.00 0.00 H new ATOM 562 N LEU A 38 3.037 21.007 -29.269 1.00 0.00 N ATOM 563 CA LEU A 38 1.716 20.983 -29.929 1.00 0.00 C ATOM 564 C LEU A 38 0.657 20.637 -28.869 1.00 0.00 C ATOM 565 O LEU A 38 0.943 19.868 -27.942 1.00 0.00 O ATOM 566 CB LEU A 38 1.682 19.945 -31.098 1.00 0.00 C ATOM 567 CG LEU A 38 2.549 20.262 -32.376 1.00 0.00 C ATOM 568 CD1 LEU A 38 2.232 21.668 -32.946 1.00 0.00 C ATOM 569 CD2 LEU A 38 4.067 20.081 -32.116 1.00 0.00 C ATOM 0 H LEU A 38 3.374 20.080 -29.009 1.00 0.00 H new ATOM 0 HA LEU A 38 1.510 21.961 -30.364 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.005 18.982 -30.703 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.646 19.828 -31.415 1.00 0.00 H new ATOM 0 HG LEU A 38 2.270 19.530 -33.134 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.848 21.851 -33.826 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.179 21.719 -33.223 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.445 22.424 -32.190 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.622 20.311 -33.026 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.382 20.754 -31.319 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.265 19.051 -31.821 1.00 0.00 H new ATOM 581 N ARG A 39 -0.552 21.215 -29.005 1.00 0.00 N ATOM 582 CA ARG A 39 -1.659 20.999 -28.050 1.00 0.00 C ATOM 583 C ARG A 39 -2.122 19.537 -28.076 1.00 0.00 C ATOM 584 O ARG A 39 -2.595 19.048 -29.105 1.00 0.00 O ATOM 585 CB ARG A 39 -2.865 21.956 -28.334 1.00 0.00 C ATOM 586 CG ARG A 39 -2.670 23.395 -27.817 1.00 0.00 C ATOM 587 CD ARG A 39 -2.492 23.444 -26.284 1.00 0.00 C ATOM 588 NE ARG A 39 -2.385 24.823 -25.785 1.00 0.00 N ATOM 589 CZ ARG A 39 -1.266 25.420 -25.373 1.00 0.00 C ATOM 590 NH1 ARG A 39 -0.101 24.790 -25.422 1.00 0.00 N ATOM 591 NH2 ARG A 39 -1.316 26.654 -24.904 1.00 0.00 N ATOM 0 H ARG A 39 -0.789 21.841 -29.774 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.278 21.230 -27.055 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.041 21.990 -29.409 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.761 21.537 -27.877 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.797 23.837 -28.297 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.530 24.001 -28.101 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.337 22.950 -25.805 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.597 22.887 -26.005 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.244 25.372 -25.751 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.052 23.836 -25.778 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.747 25.260 -25.103 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.208 27.146 -24.858 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.462 27.114 -24.588 1.00 0.00 H new ATOM 605 N MET A 40 -1.937 18.858 -26.939 1.00 0.00 N ATOM 606 CA MET A 40 -2.419 17.494 -26.694 1.00 0.00 C ATOM 607 C MET A 40 -3.526 17.549 -25.633 1.00 0.00 C ATOM 608 O MET A 40 -3.651 18.545 -24.903 1.00 0.00 O ATOM 609 CB MET A 40 -1.232 16.596 -26.234 1.00 0.00 C ATOM 610 CG MET A 40 -0.559 17.013 -24.901 1.00 0.00 C ATOM 611 SD MET A 40 1.109 16.331 -24.700 1.00 0.00 S ATOM 612 CE MET A 40 0.865 14.598 -25.090 1.00 0.00 C ATOM 0 H MET A 40 -1.435 19.252 -26.143 1.00 0.00 H new ATOM 0 HA MET A 40 -2.830 17.061 -27.606 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.591 15.572 -26.135 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.475 16.594 -27.018 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.508 18.101 -24.852 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.182 16.685 -24.069 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.788 14.049 -24.901 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.068 14.193 -24.466 1.00 0.00 H new ATOM 0 HE3 MET A 40 0.591 14.496 -26.140 1.00 0.00 H new ATOM 622 N ASP A 41 -4.330 16.484 -25.565 1.00 0.00 N ATOM 623 CA ASP A 41 -5.427 16.360 -24.586 1.00 0.00 C ATOM 624 C ASP A 41 -4.878 16.114 -23.178 1.00 0.00 C ATOM 625 O ASP A 41 -3.698 15.818 -23.018 1.00 0.00 O ATOM 626 CB ASP A 41 -6.399 15.231 -25.017 1.00 0.00 C ATOM 627 CG ASP A 41 -7.167 15.594 -26.299 1.00 0.00 C ATOM 628 OD1 ASP A 41 -8.230 16.246 -26.204 1.00 0.00 O ATOM 629 OD2 ASP A 41 -6.686 15.279 -27.405 1.00 0.00 O ATOM 0 H ASP A 41 -4.243 15.679 -26.186 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.981 17.298 -24.561 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.838 14.311 -25.178 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.108 15.035 -24.212 1.00 0.00 H new ATOM 634 N ASN A 42 -5.755 16.242 -22.166 1.00 0.00 N ATOM 635 CA ASN A 42 -5.387 16.035 -20.741 1.00 0.00 C ATOM 636 C ASN A 42 -5.160 14.545 -20.439 1.00 0.00 C ATOM 637 O ASN A 42 -4.326 14.196 -19.598 1.00 0.00 O ATOM 638 CB ASN A 42 -6.473 16.632 -19.808 1.00 0.00 C ATOM 639 CG ASN A 42 -6.596 18.158 -19.940 1.00 0.00 C ATOM 640 OD1 ASN A 42 -5.613 18.850 -20.203 1.00 0.00 O ATOM 641 ND2 ASN A 42 -7.797 18.691 -19.769 1.00 0.00 N ATOM 0 H ASN A 42 -6.735 16.490 -22.304 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.449 16.557 -20.552 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.435 16.173 -20.037 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.237 16.379 -18.774 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.924 19.699 -19.855 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.594 18.093 -19.552 1.00 0.00 H new ATOM 648 N ASN A 43 -5.906 13.675 -21.142 1.00 0.00 N ATOM 649 CA ASN A 43 -5.704 12.214 -21.091 1.00 0.00 C ATOM 650 C ASN A 43 -4.412 11.830 -21.841 1.00 0.00 C ATOM 651 O ASN A 43 -3.707 10.908 -21.433 1.00 0.00 O ATOM 652 CB ASN A 43 -6.925 11.460 -21.680 1.00 0.00 C ATOM 653 CG ASN A 43 -8.206 11.619 -20.845 1.00 0.00 C ATOM 654 OD1 ASN A 43 -8.405 12.621 -20.162 1.00 0.00 O ATOM 655 ND2 ASN A 43 -9.087 10.635 -20.895 1.00 0.00 N ATOM 0 H ASN A 43 -6.664 13.963 -21.760 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.604 11.918 -20.047 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.113 11.822 -22.691 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.683 10.400 -21.761 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.953 10.698 -20.360 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.901 9.812 -21.469 1.00 0.00 H new ATOM 662 N ALA A 44 -4.118 12.572 -22.933 1.00 0.00 N ATOM 663 CA ALA A 44 -2.861 12.423 -23.701 1.00 0.00 C ATOM 664 C ALA A 44 -1.657 12.887 -22.864 1.00 0.00 C ATOM 665 O ALA A 44 -0.570 12.325 -22.970 1.00 0.00 O ATOM 666 CB ALA A 44 -2.937 13.207 -25.025 1.00 0.00 C ATOM 0 H ALA A 44 -4.742 13.288 -23.305 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.727 11.367 -23.937 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.004 13.085 -25.574 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.764 12.828 -25.625 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.097 14.264 -24.813 1.00 0.00 H new ATOM 672 N ALA A 45 -1.896 13.908 -22.020 1.00 0.00 N ATOM 673 CA ALA A 45 -0.895 14.483 -21.106 1.00 0.00 C ATOM 674 C ALA A 45 -0.657 13.550 -19.910 1.00 0.00 C ATOM 675 O ALA A 45 0.428 13.551 -19.336 1.00 0.00 O ATOM 676 CB ALA A 45 -1.349 15.874 -20.629 1.00 0.00 C ATOM 0 H ALA A 45 -2.806 14.363 -21.954 1.00 0.00 H new ATOM 0 HA ALA A 45 0.047 14.591 -21.644 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.601 16.289 -19.954 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.467 16.533 -21.489 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.301 15.786 -20.106 1.00 0.00 H new ATOM 682 N ALA A 46 -1.700 12.773 -19.540 1.00 0.00 N ATOM 683 CA ALA A 46 -1.614 11.734 -18.489 1.00 0.00 C ATOM 684 C ALA A 46 -0.764 10.552 -18.968 1.00 0.00 C ATOM 685 O ALA A 46 0.088 10.046 -18.228 1.00 0.00 O ATOM 686 CB ALA A 46 -3.022 11.274 -18.077 1.00 0.00 C ATOM 0 H ALA A 46 -2.626 12.849 -19.962 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.127 12.162 -17.613 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.943 10.510 -17.304 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.584 12.124 -17.691 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.538 10.861 -18.944 1.00 0.00 H new ATOM 692 N ILE A 47 -1.001 10.134 -20.228 1.00 0.00 N ATOM 693 CA ILE A 47 -0.180 9.116 -20.910 1.00 0.00 C ATOM 694 C ILE A 47 1.277 9.596 -20.990 1.00 0.00 C ATOM 695 O ILE A 47 2.198 8.854 -20.638 1.00 0.00 O ATOM 696 CB ILE A 47 -0.727 8.803 -22.365 1.00 0.00 C ATOM 697 CG1 ILE A 47 -2.170 8.187 -22.302 1.00 0.00 C ATOM 698 CG2 ILE A 47 0.243 7.885 -23.171 1.00 0.00 C ATOM 699 CD1 ILE A 47 -2.270 6.886 -21.516 1.00 0.00 C ATOM 0 H ILE A 47 -1.766 10.493 -20.800 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.234 8.195 -20.330 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.785 9.751 -22.899 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.844 8.918 -21.856 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.520 8.010 -23.319 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.172 7.697 -24.161 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.211 8.377 -23.271 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.369 6.939 -22.645 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.301 6.534 -21.525 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.626 6.135 -21.972 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.955 7.058 -20.487 1.00 0.00 H new ATOM 711 N LYS A 48 1.449 10.866 -21.405 1.00 0.00 N ATOM 712 CA LYS A 48 2.766 11.488 -21.597 1.00 0.00 C ATOM 713 C LYS A 48 3.498 11.653 -20.254 1.00 0.00 C ATOM 714 O LYS A 48 4.710 11.578 -20.208 1.00 0.00 O ATOM 715 CB LYS A 48 2.634 12.857 -22.317 1.00 0.00 C ATOM 716 CG LYS A 48 3.916 13.329 -23.041 1.00 0.00 C ATOM 717 CD LYS A 48 4.258 12.452 -24.264 1.00 0.00 C ATOM 718 CE LYS A 48 5.442 13.014 -25.060 1.00 0.00 C ATOM 719 NZ LYS A 48 5.682 12.266 -26.315 1.00 0.00 N ATOM 0 H LYS A 48 0.671 11.490 -21.617 1.00 0.00 H new ATOM 0 HA LYS A 48 3.358 10.826 -22.229 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.824 12.794 -23.044 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.347 13.612 -21.585 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.789 14.363 -23.363 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.752 13.314 -22.341 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.492 11.441 -23.931 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.386 12.380 -24.914 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.254 14.062 -25.295 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.340 12.981 -24.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.491 12.683 -26.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.888 11.271 -26.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.836 12.318 -26.917 1.00 0.00 H new ATOM 733 N ALA A 49 2.731 11.858 -19.172 1.00 0.00 N ATOM 734 CA ALA A 49 3.261 11.921 -17.792 1.00 0.00 C ATOM 735 C ALA A 49 3.965 10.608 -17.422 1.00 0.00 C ATOM 736 O ALA A 49 5.071 10.629 -16.879 1.00 0.00 O ATOM 737 CB ALA A 49 2.134 12.237 -16.797 1.00 0.00 C ATOM 0 H ALA A 49 1.720 11.986 -19.225 1.00 0.00 H new ATOM 0 HA ALA A 49 3.996 12.724 -17.741 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.542 12.280 -15.787 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.686 13.198 -17.048 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.374 11.458 -16.849 1.00 0.00 H new ATOM 743 N LEU A 50 3.311 9.478 -17.756 1.00 0.00 N ATOM 744 CA LEU A 50 3.879 8.122 -17.561 1.00 0.00 C ATOM 745 C LEU A 50 5.053 7.846 -18.536 1.00 0.00 C ATOM 746 O LEU A 50 5.989 7.137 -18.170 1.00 0.00 O ATOM 747 CB LEU A 50 2.778 7.017 -17.696 1.00 0.00 C ATOM 748 CG LEU A 50 1.905 6.730 -16.430 1.00 0.00 C ATOM 749 CD1 LEU A 50 2.782 6.291 -15.234 1.00 0.00 C ATOM 750 CD2 LEU A 50 1.013 7.930 -16.063 1.00 0.00 C ATOM 0 H LEU A 50 2.378 9.475 -18.167 1.00 0.00 H new ATOM 0 HA LEU A 50 4.274 8.085 -16.546 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.111 7.300 -18.511 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.265 6.087 -17.990 1.00 0.00 H new ATOM 0 HG LEU A 50 1.240 5.902 -16.677 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.148 6.099 -14.369 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.325 5.383 -15.495 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.493 7.082 -14.994 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.424 7.688 -15.179 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.638 8.798 -15.856 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.345 8.154 -16.894 1.00 0.00 H new ATOM 762 N GLU A 51 4.976 8.399 -19.771 1.00 0.00 N ATOM 763 CA GLU A 51 6.056 8.290 -20.782 1.00 0.00 C ATOM 764 C GLU A 51 7.359 8.892 -20.230 1.00 0.00 C ATOM 765 O GLU A 51 8.394 8.233 -20.181 1.00 0.00 O ATOM 766 CB GLU A 51 5.668 9.034 -22.091 1.00 0.00 C ATOM 767 CG GLU A 51 4.479 8.440 -22.877 1.00 0.00 C ATOM 768 CD GLU A 51 4.815 7.123 -23.588 1.00 0.00 C ATOM 769 OE1 GLU A 51 5.398 7.177 -24.691 1.00 0.00 O ATOM 770 OE2 GLU A 51 4.501 6.035 -23.065 1.00 0.00 O ATOM 0 H GLU A 51 4.167 8.931 -20.093 1.00 0.00 H new ATOM 0 HA GLU A 51 6.202 7.233 -21.005 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.433 10.069 -21.842 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.539 9.054 -22.747 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.648 8.273 -22.192 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.142 9.167 -23.616 1.00 0.00 H new ATOM 777 N LEU A 52 7.253 10.143 -19.772 1.00 0.00 N ATOM 778 CA LEU A 52 8.388 10.933 -19.283 1.00 0.00 C ATOM 779 C LEU A 52 8.858 10.438 -17.916 1.00 0.00 C ATOM 780 O LEU A 52 10.002 10.664 -17.540 1.00 0.00 O ATOM 781 CB LEU A 52 8.019 12.430 -19.202 1.00 0.00 C ATOM 782 CG LEU A 52 7.385 13.077 -20.468 1.00 0.00 C ATOM 783 CD1 LEU A 52 7.235 14.599 -20.278 1.00 0.00 C ATOM 784 CD2 LEU A 52 8.155 12.714 -21.758 1.00 0.00 C ATOM 0 H LEU A 52 6.365 10.643 -19.730 1.00 0.00 H new ATOM 0 HA LEU A 52 9.205 10.809 -19.994 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.325 12.562 -18.372 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.922 12.987 -18.954 1.00 0.00 H new ATOM 0 HG LEU A 52 6.386 12.660 -20.594 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.790 15.035 -21.172 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.593 14.797 -19.420 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.216 15.043 -20.107 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.675 13.188 -22.614 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.184 13.065 -21.678 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.150 11.632 -21.893 1.00 0.00 H new ATOM 796 N TYR A 53 7.945 9.804 -17.173 1.00 0.00 N ATOM 797 CA TYR A 53 8.250 9.193 -15.875 1.00 0.00 C ATOM 798 C TYR A 53 9.238 8.022 -16.038 1.00 0.00 C ATOM 799 O TYR A 53 10.280 7.980 -15.370 1.00 0.00 O ATOM 800 CB TYR A 53 6.937 8.735 -15.182 1.00 0.00 C ATOM 801 CG TYR A 53 7.150 7.924 -13.890 1.00 0.00 C ATOM 802 CD1 TYR A 53 7.641 8.531 -12.729 1.00 0.00 C ATOM 803 CD2 TYR A 53 6.890 6.548 -13.847 1.00 0.00 C ATOM 804 CE1 TYR A 53 7.870 7.796 -11.589 1.00 0.00 C ATOM 805 CE2 TYR A 53 7.113 5.820 -12.702 1.00 0.00 C ATOM 806 CZ TYR A 53 7.599 6.448 -11.581 1.00 0.00 C ATOM 807 OH TYR A 53 7.842 5.720 -10.448 1.00 0.00 O ATOM 0 H TYR A 53 6.971 9.700 -17.456 1.00 0.00 H new ATOM 0 HA TYR A 53 8.730 9.937 -15.240 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.337 9.615 -14.950 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.361 8.132 -15.884 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.843 9.592 -12.728 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.508 6.051 -14.727 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.261 8.276 -10.704 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.907 4.760 -12.684 1.00 0.00 H new ATOM 0 HH TYR A 53 7.597 4.784 -10.602 1.00 0.00 H new ATOM 817 N LYS A 54 8.905 7.094 -16.957 1.00 0.00 N ATOM 818 CA LYS A 54 9.658 5.841 -17.133 1.00 0.00 C ATOM 819 C LYS A 54 10.990 6.075 -17.874 1.00 0.00 C ATOM 820 O LYS A 54 11.987 5.420 -17.564 1.00 0.00 O ATOM 821 CB LYS A 54 8.790 4.772 -17.856 1.00 0.00 C ATOM 822 CG LYS A 54 8.302 5.158 -19.273 1.00 0.00 C ATOM 823 CD LYS A 54 7.335 4.107 -19.870 1.00 0.00 C ATOM 824 CE LYS A 54 6.795 4.502 -21.249 1.00 0.00 C ATOM 825 NZ LYS A 54 7.871 4.648 -22.261 1.00 0.00 N ATOM 0 H LYS A 54 8.113 7.192 -17.592 1.00 0.00 H new ATOM 0 HA LYS A 54 9.905 5.462 -16.141 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.366 3.849 -17.928 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.919 4.557 -17.237 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.802 6.126 -19.231 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.162 5.272 -19.932 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.851 3.150 -19.949 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.498 3.962 -19.187 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.083 3.748 -21.586 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.249 5.442 -21.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.449 4.849 -23.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.499 5.431 -21.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.420 3.766 -22.314 1.00 0.00 H new ATOM 839 N ILE A 55 11.009 7.011 -18.846 1.00 0.00 N ATOM 840 CA ILE A 55 12.249 7.367 -19.581 1.00 0.00 C ATOM 841 C ILE A 55 13.066 8.431 -18.803 1.00 0.00 C ATOM 842 O ILE A 55 14.233 8.672 -19.126 1.00 0.00 O ATOM 843 CB ILE A 55 11.949 7.881 -21.047 1.00 0.00 C ATOM 844 CG1 ILE A 55 11.265 9.296 -21.042 1.00 0.00 C ATOM 845 CG2 ILE A 55 11.082 6.840 -21.812 1.00 0.00 C ATOM 846 CD1 ILE A 55 10.943 9.861 -22.420 1.00 0.00 C ATOM 0 H ILE A 55 10.185 7.534 -19.142 1.00 0.00 H new ATOM 0 HA ILE A 55 12.839 6.454 -19.664 1.00 0.00 H new ATOM 0 HB ILE A 55 12.901 7.992 -21.566 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.341 9.234 -20.466 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.918 9.997 -20.522 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.881 7.204 -22.820 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.617 5.892 -21.868 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.139 6.694 -21.285 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.474 10.839 -22.312 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.863 9.961 -22.996 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.261 9.187 -22.939 1.00 0.00 H new ATOM 858 N ASN A 56 12.422 9.044 -17.775 1.00 0.00 N ATOM 859 CA ASN A 56 13.014 10.099 -16.920 1.00 0.00 C ATOM 860 C ASN A 56 13.476 11.291 -17.785 1.00 0.00 C ATOM 861 O ASN A 56 14.655 11.664 -17.790 1.00 0.00 O ATOM 862 CB ASN A 56 14.151 9.524 -16.031 1.00 0.00 C ATOM 863 CG ASN A 56 13.671 8.405 -15.096 1.00 0.00 C ATOM 864 OD1 ASN A 56 13.274 8.656 -13.959 1.00 0.00 O ATOM 865 ND2 ASN A 56 13.692 7.168 -15.574 1.00 0.00 N ATOM 0 H ASN A 56 11.463 8.813 -17.516 1.00 0.00 H new ATOM 0 HA ASN A 56 12.251 10.473 -16.237 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.946 9.140 -16.670 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.581 10.329 -15.435 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.373 6.392 -14.994 1.00 0.00 H new ATOM 0 HD22 ASN A 56 14.027 6.993 -16.521 1.00 0.00 H new ATOM 872 N ALA A 57 12.515 11.864 -18.533 1.00 0.00 N ATOM 873 CA ALA A 57 12.763 12.973 -19.472 1.00 0.00 C ATOM 874 C ALA A 57 13.012 14.304 -18.738 1.00 0.00 C ATOM 875 O ALA A 57 12.957 14.368 -17.501 1.00 0.00 O ATOM 876 CB ALA A 57 11.593 13.109 -20.460 1.00 0.00 C ATOM 0 H ALA A 57 11.539 11.569 -18.502 1.00 0.00 H new ATOM 0 HA ALA A 57 13.670 12.736 -20.028 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.791 13.932 -21.147 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.484 12.183 -21.025 1.00 0.00 H new ATOM 0 HB3 ALA A 57 10.673 13.309 -19.910 1.00 0.00 H new ATOM 882 N LYS A 58 13.273 15.360 -19.536 1.00 0.00 N ATOM 883 CA LYS A 58 13.672 16.692 -19.050 1.00 0.00 C ATOM 884 C LYS A 58 12.576 17.321 -18.177 1.00 0.00 C ATOM 885 O LYS A 58 11.575 17.827 -18.687 1.00 0.00 O ATOM 886 CB LYS A 58 14.004 17.616 -20.258 1.00 0.00 C ATOM 887 CG LYS A 58 15.054 17.035 -21.233 1.00 0.00 C ATOM 888 CD LYS A 58 16.448 16.841 -20.593 1.00 0.00 C ATOM 889 CE LYS A 58 17.059 18.156 -20.074 1.00 0.00 C ATOM 890 NZ LYS A 58 18.440 17.965 -19.561 1.00 0.00 N ATOM 0 H LYS A 58 13.211 15.307 -20.553 1.00 0.00 H new ATOM 0 HA LYS A 58 14.561 16.578 -18.430 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.086 17.818 -20.809 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.366 18.572 -19.880 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.698 16.075 -21.608 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.147 17.699 -22.093 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.368 16.133 -19.768 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.121 16.399 -21.328 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.070 18.892 -20.877 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.430 18.559 -19.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.813 18.875 -19.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.428 17.282 -18.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.047 17.605 -20.325 1.00 0.00 H new ATOM 904 N LEU A 59 12.759 17.213 -16.858 1.00 0.00 N ATOM 905 CA LEU A 59 11.839 17.786 -15.867 1.00 0.00 C ATOM 906 C LEU A 59 12.305 19.208 -15.496 1.00 0.00 C ATOM 907 O LEU A 59 13.457 19.407 -15.087 1.00 0.00 O ATOM 908 CB LEU A 59 11.765 16.876 -14.615 1.00 0.00 C ATOM 909 CG LEU A 59 10.659 17.246 -13.571 1.00 0.00 C ATOM 910 CD1 LEU A 59 9.247 17.190 -14.206 1.00 0.00 C ATOM 911 CD2 LEU A 59 10.741 16.334 -12.319 1.00 0.00 C ATOM 0 H LEU A 59 13.553 16.724 -16.444 1.00 0.00 H new ATOM 0 HA LEU A 59 10.837 17.849 -16.292 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.600 15.850 -14.944 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.733 16.898 -14.115 1.00 0.00 H new ATOM 0 HG LEU A 59 10.840 18.272 -13.250 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.500 17.452 -13.456 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.192 17.896 -15.035 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.053 16.183 -14.574 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.960 16.615 -11.612 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.604 15.294 -12.617 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.717 16.451 -11.847 1.00 0.00 H new ATOM 923 N CYS A 60 11.396 20.184 -15.640 1.00 0.00 N ATOM 924 CA CYS A 60 11.696 21.623 -15.481 1.00 0.00 C ATOM 925 C CYS A 60 11.594 22.119 -14.019 1.00 0.00 C ATOM 926 O CYS A 60 11.693 23.329 -13.781 1.00 0.00 O ATOM 927 CB CYS A 60 10.738 22.447 -16.367 1.00 0.00 C ATOM 928 SG CYS A 60 10.831 22.078 -18.142 1.00 0.00 S ATOM 0 H CYS A 60 10.420 19.999 -15.873 1.00 0.00 H new ATOM 0 HA CYS A 60 12.733 21.761 -15.788 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.716 22.276 -16.028 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.950 23.506 -16.219 1.00 0.00 H new ATOM 933 N ASP A 61 11.408 21.202 -13.053 1.00 0.00 N ATOM 934 CA ASP A 61 11.326 21.553 -11.620 1.00 0.00 C ATOM 935 C ASP A 61 12.724 21.916 -11.046 1.00 0.00 C ATOM 936 O ASP A 61 13.718 21.265 -11.407 1.00 0.00 O ATOM 937 CB ASP A 61 10.676 20.395 -10.809 1.00 0.00 C ATOM 938 CG ASP A 61 9.149 20.332 -10.998 1.00 0.00 C ATOM 939 OD1 ASP A 61 8.669 19.691 -11.956 1.00 0.00 O ATOM 940 OD2 ASP A 61 8.425 20.953 -10.189 1.00 0.00 O ATOM 0 H ASP A 61 11.311 20.204 -13.239 1.00 0.00 H new ATOM 0 HA ASP A 61 10.693 22.435 -11.527 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.117 19.447 -11.117 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.904 20.524 -9.751 1.00 0.00 H new ATOM 945 N PRO A 62 12.803 22.980 -10.160 1.00 0.00 N ATOM 946 CA PRO A 62 14.069 23.430 -9.509 1.00 0.00 C ATOM 947 C PRO A 62 14.827 22.300 -8.771 1.00 0.00 C ATOM 948 O PRO A 62 14.216 21.500 -8.058 1.00 0.00 O ATOM 949 CB PRO A 62 13.592 24.514 -8.506 1.00 0.00 C ATOM 950 CG PRO A 62 12.334 25.057 -9.114 1.00 0.00 C ATOM 951 CD PRO A 62 11.664 23.869 -9.770 1.00 0.00 C ATOM 0 HA PRO A 62 14.785 23.788 -10.248 1.00 0.00 H new ATOM 0 HB2 PRO A 62 13.405 24.088 -7.520 1.00 0.00 H new ATOM 0 HB3 PRO A 62 14.341 25.295 -8.379 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.691 25.502 -8.355 1.00 0.00 H new ATOM 0 HG3 PRO A 62 12.554 25.837 -9.843 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.982 23.366 -9.084 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.078 24.171 -10.638 1.00 0.00 H new ATOM 959 N HIS A 63 16.161 22.265 -8.941 1.00 0.00 N ATOM 960 CA HIS A 63 17.034 21.215 -8.373 1.00 0.00 C ATOM 961 C HIS A 63 17.765 21.750 -7.110 1.00 0.00 C ATOM 962 O HIS A 63 18.228 22.893 -7.121 1.00 0.00 O ATOM 963 CB HIS A 63 18.050 20.759 -9.448 1.00 0.00 C ATOM 964 CG HIS A 63 17.405 20.251 -10.715 1.00 0.00 C ATOM 965 ND1 HIS A 63 17.472 20.917 -11.923 1.00 0.00 N ATOM 966 CD2 HIS A 63 16.645 19.154 -10.947 1.00 0.00 C ATOM 967 CE1 HIS A 63 16.783 20.256 -12.829 1.00 0.00 C ATOM 968 NE2 HIS A 63 16.276 19.181 -12.267 1.00 0.00 N ATOM 0 H HIS A 63 16.669 22.967 -9.479 1.00 0.00 H new ATOM 0 HA HIS A 63 16.429 20.359 -8.073 1.00 0.00 H new ATOM 0 HB2 HIS A 63 18.705 21.595 -9.694 1.00 0.00 H new ATOM 0 HB3 HIS A 63 18.679 19.973 -9.031 1.00 0.00 H new ATOM 0 HD2 HIS A 63 16.379 18.397 -10.224 1.00 0.00 H new ATOM 0 HE1 HIS A 63 16.656 20.548 -13.861 1.00 0.00 H new ATOM 0 HE2 HIS A 63 15.702 18.481 -12.737 1.00 0.00 H new ATOM 977 N PRO A 64 17.855 20.944 -5.991 1.00 0.00 N ATOM 978 CA PRO A 64 18.535 21.360 -4.731 1.00 0.00 C ATOM 979 C PRO A 64 20.082 21.500 -4.904 1.00 0.00 C ATOM 980 O PRO A 64 20.550 22.625 -5.173 1.00 0.00 O ATOM 981 CB PRO A 64 18.144 20.234 -3.709 1.00 0.00 C ATOM 982 CG PRO A 64 17.021 19.488 -4.369 1.00 0.00 C ATOM 983 CD PRO A 64 17.287 19.581 -5.849 1.00 0.00 C ATOM 984 OXT PRO A 64 20.812 20.490 -4.805 1.00 0.00 O ATOM 0 HA PRO A 64 18.224 22.350 -4.398 1.00 0.00 H new ATOM 0 HB2 PRO A 64 18.988 19.576 -3.503 1.00 0.00 H new ATOM 0 HB3 PRO A 64 17.830 20.658 -2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 64 16.994 18.449 -4.040 1.00 0.00 H new ATOM 0 HG3 PRO A 64 16.056 19.928 -4.116 1.00 0.00 H new ATOM 0 HD2 PRO A 64 17.985 18.814 -6.184 1.00 0.00 H new ATOM 0 HD3 PRO A 64 16.375 19.459 -6.433 1.00 0.00 H new TER 992 PRO A 64 HETATM 993 ZN ZN A 65 9.767 23.622 -19.557 1.00 0.00 ZN