USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 THR OG1 : rot 129:sc= 1.26 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 1.11 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0067 (180deg=-0.275) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 53:sc= 0.162 USER MOD Single : A 12 HIS : no HE2:sc= -1.8 K(o=-1.8,f=-7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -126:sc= -0.828 (180deg=-7!) USER MOD Single : A 21 SER OG : rot -11:sc= 0.709 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.12) USER MOD Single : A 32 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.038) USER MOD Single : A 33 ASN : amide:sc= 0.438 K(o=0.44,f=-0.18) USER MOD Single : A 44 THR OG1 : rot 170:sc= -0.0282 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 120:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 1.16 (180deg=1.09) USER MOD Single : A 60 TYR OH : rot 176:sc= 0.421 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 92:sc= 1.64 USER MOD Single : A 66 LYS NZ :NH3+ 156:sc= 2.16 (180deg=0.769) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 171:sc= 1.31 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.068 -3.424 9.361 1.00 0.00 N ATOM 2 CA MET A 1 -14.168 -2.489 9.047 1.00 0.00 C ATOM 3 C MET A 1 -13.689 -1.359 8.148 1.00 0.00 C ATOM 4 O MET A 1 -14.227 -1.188 7.057 1.00 0.00 O ATOM 5 CB MET A 1 -14.896 -1.968 10.286 1.00 0.00 C ATOM 6 CG MET A 1 -15.934 -2.990 10.752 1.00 0.00 C ATOM 7 SD MET A 1 -17.113 -2.349 11.964 1.00 0.00 S ATOM 8 CE MET A 1 -18.088 -1.244 10.899 1.00 0.00 C ATOM 0 H1 MET A 1 -13.423 -4.184 9.975 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.699 -3.835 8.480 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.306 -2.912 9.849 1.00 0.00 H new ATOM 0 HA MET A 1 -14.912 -3.064 8.496 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.180 -1.775 11.085 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.384 -1.020 10.059 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.484 -3.354 9.884 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.416 -3.846 11.183 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.021 -0.986 11.400 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.519 -0.336 10.700 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.309 -1.747 9.958 1.00 0.00 H new ATOM 18 N ALA A 2 -12.679 -0.592 8.550 1.00 0.00 N ATOM 19 CA ALA A 2 -11.880 0.207 7.635 1.00 0.00 C ATOM 20 C ALA A 2 -10.416 -0.085 7.953 1.00 0.00 C ATOM 21 O ALA A 2 -10.069 -0.401 9.095 1.00 0.00 O ATOM 22 CB ALA A 2 -12.230 1.694 7.755 1.00 0.00 C ATOM 0 H ALA A 2 -12.393 -0.509 9.526 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.085 -0.053 6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.618 2.269 7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.284 1.840 7.517 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.037 2.032 8.773 1.00 0.00 H new ATOM 28 N LEU A 3 -9.572 -0.024 6.931 1.00 0.00 N ATOM 29 CA LEU A 3 -8.181 -0.446 6.953 1.00 0.00 C ATOM 30 C LEU A 3 -7.393 0.830 6.738 1.00 0.00 C ATOM 31 O LEU A 3 -6.978 1.138 5.621 1.00 0.00 O ATOM 32 CB LEU A 3 -7.931 -1.544 5.895 1.00 0.00 C ATOM 33 CG LEU A 3 -8.740 -2.824 6.201 1.00 0.00 C ATOM 34 CD1 LEU A 3 -8.861 -3.731 4.976 1.00 0.00 C ATOM 35 CD2 LEU A 3 -8.126 -3.618 7.363 1.00 0.00 C ATOM 0 H LEU A 3 -9.855 0.339 6.021 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.876 -0.915 7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.203 -1.168 4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.868 -1.784 5.863 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.738 -2.491 6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.437 -4.619 5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.366 -3.193 4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.866 -4.028 4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.723 -4.511 7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.107 -3.909 7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.112 -2.998 8.260 1.00 0.00 H new ATOM 47 N VAL A 4 -7.298 1.597 7.822 1.00 0.00 N ATOM 48 CA VAL A 4 -6.686 2.913 7.896 1.00 0.00 C ATOM 49 C VAL A 4 -5.395 2.773 8.703 1.00 0.00 C ATOM 50 O VAL A 4 -5.184 3.423 9.726 1.00 0.00 O ATOM 51 CB VAL A 4 -7.696 3.932 8.464 1.00 0.00 C ATOM 52 CG1 VAL A 4 -7.118 5.354 8.574 1.00 0.00 C ATOM 53 CG2 VAL A 4 -8.978 3.984 7.610 1.00 0.00 C ATOM 0 H VAL A 4 -7.669 1.295 8.723 1.00 0.00 H new ATOM 0 HA VAL A 4 -6.417 3.304 6.915 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.930 3.581 9.469 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.876 6.024 8.980 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.251 5.344 9.235 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.817 5.702 7.586 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -9.670 4.711 8.036 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.725 4.278 6.591 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.447 3.000 7.598 1.00 0.00 H new ATOM 63 N LEU A 5 -4.556 1.839 8.277 1.00 0.00 N ATOM 64 CA LEU A 5 -3.229 1.633 8.805 1.00 0.00 C ATOM 65 C LEU A 5 -2.524 0.649 7.898 1.00 0.00 C ATOM 66 O LEU A 5 -3.131 -0.322 7.441 1.00 0.00 O ATOM 67 CB LEU A 5 -3.264 1.078 10.237 1.00 0.00 C ATOM 68 CG LEU A 5 -4.248 -0.104 10.451 1.00 0.00 C ATOM 69 CD1 LEU A 5 -3.658 -1.161 11.389 1.00 0.00 C ATOM 70 CD2 LEU A 5 -5.603 0.322 11.033 1.00 0.00 C ATOM 0 H LEU A 5 -4.795 1.187 7.530 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.705 2.588 8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.261 0.752 10.510 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.533 1.885 10.918 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.407 -0.511 9.453 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.373 -1.974 11.517 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.735 -1.553 10.961 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.445 -0.709 12.358 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.238 -0.555 11.155 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.450 0.797 12.002 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.084 1.027 10.356 1.00 0.00 H new ATOM 82 N VAL A 6 -1.232 0.857 7.675 1.00 0.00 N ATOM 83 CA VAL A 6 -0.467 -0.044 6.829 1.00 0.00 C ATOM 84 C VAL A 6 0.995 -0.080 7.286 1.00 0.00 C ATOM 85 O VAL A 6 1.931 -0.009 6.494 1.00 0.00 O ATOM 86 CB VAL A 6 -0.781 0.233 5.342 1.00 0.00 C ATOM 87 CG1 VAL A 6 -0.740 1.720 4.968 1.00 0.00 C ATOM 88 CG2 VAL A 6 0.030 -0.643 4.390 1.00 0.00 C ATOM 0 H VAL A 6 -0.698 1.634 8.065 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.769 -1.086 6.939 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.822 -0.063 5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.971 1.835 3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.475 2.265 5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.255 2.118 5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.234 -0.403 3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.093 -0.460 4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.190 -1.693 4.585 1.00 0.00 H new ATOM 98 N LYS A 7 1.223 -0.216 8.594 1.00 0.00 N ATOM 99 CA LYS A 7 2.588 -0.276 9.113 1.00 0.00 C ATOM 100 C LYS A 7 2.864 -1.586 9.838 1.00 0.00 C ATOM 101 O LYS A 7 3.799 -1.644 10.640 1.00 0.00 O ATOM 102 CB LYS A 7 2.792 0.925 10.064 1.00 0.00 C ATOM 103 CG LYS A 7 1.800 1.003 11.241 1.00 0.00 C ATOM 104 CD LYS A 7 2.500 1.422 12.541 1.00 0.00 C ATOM 105 CE LYS A 7 1.489 1.903 13.590 1.00 0.00 C ATOM 106 NZ LYS A 7 1.951 1.641 14.970 1.00 0.00 N ATOM 0 H LYS A 7 0.492 -0.286 9.302 1.00 0.00 H new ATOM 0 HA LYS A 7 3.290 -0.228 8.280 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.805 0.883 10.465 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.717 1.845 9.484 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.010 1.717 11.006 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.322 0.033 11.380 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.067 0.580 12.939 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.215 2.217 12.331 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.316 2.972 13.463 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.534 1.404 13.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.238 1.982 15.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.091 0.619 15.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.850 2.138 15.135 1.00 0.00 H new ATOM 120 N TYR A 8 2.289 -2.691 9.362 1.00 0.00 N ATOM 121 CA TYR A 8 2.393 -3.972 10.058 1.00 0.00 C ATOM 122 C TYR A 8 2.447 -5.118 9.049 1.00 0.00 C ATOM 123 O TYR A 8 1.988 -6.228 9.329 1.00 0.00 O ATOM 124 CB TYR A 8 1.137 -4.088 10.955 1.00 0.00 C ATOM 125 CG TYR A 8 1.390 -4.402 12.413 1.00 0.00 C ATOM 126 CD1 TYR A 8 2.090 -5.562 12.789 1.00 0.00 C ATOM 127 CD2 TYR A 8 0.846 -3.562 13.402 1.00 0.00 C ATOM 128 CE1 TYR A 8 2.200 -5.903 14.148 1.00 0.00 C ATOM 129 CE2 TYR A 8 0.937 -3.907 14.759 1.00 0.00 C ATOM 130 CZ TYR A 8 1.592 -5.099 15.135 1.00 0.00 C ATOM 131 OH TYR A 8 1.634 -5.476 16.440 1.00 0.00 O ATOM 0 H TYR A 8 1.747 -2.724 8.498 1.00 0.00 H new ATOM 0 HA TYR A 8 3.303 -4.027 10.656 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.585 -3.150 10.896 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.491 -4.864 10.543 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.542 -6.190 12.035 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.354 -2.644 13.114 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.752 -6.785 14.438 1.00 0.00 H new ATOM 0 HE2 TYR A 8 0.508 -3.263 15.512 1.00 0.00 H new ATOM 0 HH TYR A 8 1.169 -4.810 16.988 1.00 0.00 H new ATOM 141 N GLY A 9 3.121 -4.889 7.920 1.00 0.00 N ATOM 142 CA GLY A 9 3.058 -5.761 6.766 1.00 0.00 C ATOM 143 C GLY A 9 1.600 -6.054 6.469 1.00 0.00 C ATOM 144 O GLY A 9 0.821 -5.187 6.064 1.00 0.00 O ATOM 0 H GLY A 9 3.730 -4.081 7.789 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.533 -5.288 5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.599 -6.687 6.960 1.00 0.00 H new ATOM 148 N THR A 10 1.231 -7.278 6.773 1.00 0.00 N ATOM 149 CA THR A 10 0.050 -7.946 6.281 1.00 0.00 C ATOM 150 C THR A 10 -1.167 -7.613 7.145 1.00 0.00 C ATOM 151 O THR A 10 -1.585 -8.451 7.949 1.00 0.00 O ATOM 152 CB THR A 10 0.334 -9.449 6.213 1.00 0.00 C ATOM 153 OG1 THR A 10 0.903 -9.858 7.447 1.00 0.00 O ATOM 154 CG2 THR A 10 1.316 -9.800 5.092 1.00 0.00 C ATOM 0 H THR A 10 1.777 -7.864 7.404 1.00 0.00 H new ATOM 0 HA THR A 10 -0.192 -7.595 5.278 1.00 0.00 H new ATOM 0 HB THR A 10 -0.608 -9.959 6.013 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.326 -9.570 8.185 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.487 -10.876 5.082 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.900 -9.490 4.133 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.261 -9.284 5.261 1.00 0.00 H new ATOM 162 N ASP A 11 -1.724 -6.403 7.028 1.00 0.00 N ATOM 163 CA ASP A 11 -2.966 -6.069 7.729 1.00 0.00 C ATOM 164 C ASP A 11 -3.761 -4.959 7.014 1.00 0.00 C ATOM 165 O ASP A 11 -4.316 -4.071 7.659 1.00 0.00 O ATOM 166 CB ASP A 11 -2.636 -5.724 9.201 1.00 0.00 C ATOM 167 CG ASP A 11 -3.791 -5.974 10.175 1.00 0.00 C ATOM 168 OD1 ASP A 11 -4.836 -6.534 9.782 1.00 0.00 O ATOM 169 OD2 ASP A 11 -3.608 -5.728 11.397 1.00 0.00 O ATOM 0 H ASP A 11 -1.339 -5.647 6.461 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.627 -6.936 7.718 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.775 -6.313 9.517 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.345 -4.675 9.261 1.00 0.00 H new ATOM 174 N HIS A 12 -3.801 -4.981 5.671 1.00 0.00 N ATOM 175 CA HIS A 12 -4.547 -4.062 4.799 1.00 0.00 C ATOM 176 C HIS A 12 -4.679 -4.693 3.392 1.00 0.00 C ATOM 177 O HIS A 12 -4.083 -5.744 3.160 1.00 0.00 O ATOM 178 CB HIS A 12 -3.871 -2.671 4.810 1.00 0.00 C ATOM 179 CG HIS A 12 -2.975 -2.362 3.636 1.00 0.00 C ATOM 180 ND1 HIS A 12 -2.047 -3.201 3.063 1.00 0.00 N ATOM 181 CD2 HIS A 12 -2.995 -1.208 2.899 1.00 0.00 C ATOM 182 CE1 HIS A 12 -1.527 -2.568 2.004 1.00 0.00 C ATOM 183 NE2 HIS A 12 -2.072 -1.353 1.864 1.00 0.00 N ATOM 0 H HIS A 12 -3.285 -5.680 5.137 1.00 0.00 H new ATOM 0 HA HIS A 12 -5.562 -3.904 5.164 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.650 -1.911 4.857 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.283 -2.582 5.724 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -1.800 -4.136 3.387 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.614 -0.343 3.086 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.771 -2.981 1.352 1.00 0.00 H new ATOM 191 N PRO A 13 -5.483 -4.161 2.457 1.00 0.00 N ATOM 192 CA PRO A 13 -5.654 -4.743 1.120 1.00 0.00 C ATOM 193 C PRO A 13 -4.483 -4.396 0.199 1.00 0.00 C ATOM 194 O PRO A 13 -3.800 -3.444 0.494 1.00 0.00 O ATOM 195 CB PRO A 13 -6.933 -4.082 0.616 1.00 0.00 C ATOM 196 CG PRO A 13 -6.981 -2.722 1.288 1.00 0.00 C ATOM 197 CD PRO A 13 -6.202 -2.905 2.579 1.00 0.00 C ATOM 0 HA PRO A 13 -5.699 -5.832 1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.922 -3.983 -0.469 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.809 -4.677 0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.532 -1.953 0.659 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.008 -2.413 1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.511 -2.077 2.735 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.874 -2.925 3.437 1.00 0.00 H new ATOM 205 N VAL A 14 -4.275 -5.126 -0.911 1.00 0.00 N ATOM 206 CA VAL A 14 -3.364 -4.909 -2.038 1.00 0.00 C ATOM 207 C VAL A 14 -3.271 -6.263 -2.749 1.00 0.00 C ATOM 208 O VAL A 14 -3.248 -6.315 -3.963 1.00 0.00 O ATOM 209 CB VAL A 14 -2.015 -4.276 -1.625 1.00 0.00 C ATOM 210 CG1 VAL A 14 -0.821 -4.669 -2.494 1.00 0.00 C ATOM 211 CG2 VAL A 14 -2.068 -2.736 -1.662 1.00 0.00 C ATOM 0 H VAL A 14 -4.808 -5.984 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.741 -4.156 -2.730 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.868 -4.666 -0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.077 -4.174 -2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.682 -5.749 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.005 -4.364 -3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.100 -2.331 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.305 -2.404 -2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.836 -2.382 -0.974 1.00 0.00 H new ATOM 221 N GLU A 15 -3.361 -7.384 -2.022 1.00 0.00 N ATOM 222 CA GLU A 15 -3.293 -8.724 -2.629 1.00 0.00 C ATOM 223 C GLU A 15 -4.347 -9.659 -2.057 1.00 0.00 C ATOM 224 O GLU A 15 -4.891 -10.474 -2.793 1.00 0.00 O ATOM 225 CB GLU A 15 -1.840 -9.243 -2.542 1.00 0.00 C ATOM 226 CG GLU A 15 -0.907 -8.401 -3.433 1.00 0.00 C ATOM 227 CD GLU A 15 0.278 -9.057 -4.133 1.00 0.00 C ATOM 228 OE1 GLU A 15 0.570 -10.250 -3.946 1.00 0.00 O ATOM 229 OE2 GLU A 15 0.920 -8.343 -4.930 1.00 0.00 O ATOM 0 H GLU A 15 -3.482 -7.392 -1.009 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.545 -8.673 -3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.496 -9.205 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.802 -10.287 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.524 -7.941 -4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.512 -7.593 -2.816 1.00 0.00 H new ATOM 236 N LYS A 16 -4.804 -9.458 -0.825 1.00 0.00 N ATOM 237 CA LYS A 16 -5.633 -10.431 -0.139 1.00 0.00 C ATOM 238 C LYS A 16 -6.757 -9.781 0.631 1.00 0.00 C ATOM 239 O LYS A 16 -7.900 -10.042 0.299 1.00 0.00 O ATOM 240 CB LYS A 16 -4.727 -11.259 0.755 1.00 0.00 C ATOM 241 CG LYS A 16 -5.437 -12.551 1.196 1.00 0.00 C ATOM 242 CD LYS A 16 -5.316 -13.637 0.112 1.00 0.00 C ATOM 243 CE LYS A 16 -5.885 -14.988 0.546 1.00 0.00 C ATOM 244 NZ LYS A 16 -4.939 -15.745 1.394 1.00 0.00 N ATOM 0 H LYS A 16 -4.609 -8.618 -0.280 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.125 -11.077 -0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.808 -11.506 0.223 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.441 -10.677 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.002 -12.911 2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.489 -12.344 1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.835 -13.303 -0.787 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.266 -13.761 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.815 -14.830 1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.131 -15.578 -0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.366 -16.654 1.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.061 -15.919 0.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.724 -15.195 2.250 1.00 0.00 H new ATOM 258 N LEU A 17 -6.493 -8.869 1.571 1.00 0.00 N ATOM 259 CA LEU A 17 -7.579 -8.165 2.257 1.00 0.00 C ATOM 260 C LEU A 17 -8.501 -7.461 1.251 1.00 0.00 C ATOM 261 O LEU A 17 -9.707 -7.386 1.457 1.00 0.00 O ATOM 262 CB LEU A 17 -7.028 -7.186 3.310 1.00 0.00 C ATOM 263 CG LEU A 17 -7.566 -7.377 4.740 1.00 0.00 C ATOM 264 CD1 LEU A 17 -9.095 -7.298 4.808 1.00 0.00 C ATOM 265 CD2 LEU A 17 -7.073 -8.688 5.355 1.00 0.00 C ATOM 0 H LEU A 17 -5.554 -8.604 1.870 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.180 -8.904 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.942 -7.279 3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.254 -6.169 2.989 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.170 -6.548 5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.421 -7.439 5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.425 -6.321 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.528 -8.077 4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.472 -8.789 6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.411 -9.526 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.984 -8.684 5.395 1.00 0.00 H new ATOM 277 N LYS A 18 -7.946 -7.032 0.108 1.00 0.00 N ATOM 278 CA LYS A 18 -8.703 -6.410 -0.984 1.00 0.00 C ATOM 279 C LYS A 18 -9.784 -7.356 -1.501 1.00 0.00 C ATOM 280 O LYS A 18 -10.858 -6.950 -1.904 1.00 0.00 O ATOM 281 CB LYS A 18 -7.754 -5.920 -2.095 1.00 0.00 C ATOM 282 CG LYS A 18 -7.719 -6.704 -3.406 1.00 0.00 C ATOM 283 CD LYS A 18 -6.899 -7.993 -3.354 1.00 0.00 C ATOM 284 CE LYS A 18 -6.821 -8.425 -4.803 1.00 0.00 C ATOM 285 NZ LYS A 18 -6.372 -9.801 -5.038 1.00 0.00 N ATOM 0 H LYS A 18 -6.947 -7.109 -0.085 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.218 -5.529 -0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.019 -4.889 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.743 -5.905 -1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.741 -6.950 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.313 -6.062 -4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.908 -7.821 -2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.381 -8.750 -2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.807 -8.303 -5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.146 -7.749 -5.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.567 -9.796 -5.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.080 -10.229 -4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.151 -10.355 -5.448 1.00 0.00 H new ATOM 299 N ILE A 19 -9.487 -8.643 -1.516 1.00 0.00 N ATOM 300 CA ILE A 19 -10.346 -9.663 -2.063 1.00 0.00 C ATOM 301 C ILE A 19 -11.552 -9.798 -1.139 1.00 0.00 C ATOM 302 O ILE A 19 -12.671 -9.973 -1.612 1.00 0.00 O ATOM 303 CB ILE A 19 -9.469 -10.926 -2.277 1.00 0.00 C ATOM 304 CG1 ILE A 19 -9.221 -11.175 -3.769 1.00 0.00 C ATOM 305 CG2 ILE A 19 -9.876 -12.211 -1.548 1.00 0.00 C ATOM 306 CD1 ILE A 19 -8.022 -12.115 -3.921 1.00 0.00 C ATOM 0 H ILE A 19 -8.615 -9.012 -1.136 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.773 -9.439 -3.040 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.537 -10.665 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.106 -11.614 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.029 -10.233 -4.282 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.172 -13.007 -1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.867 -12.037 -0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.878 -12.504 -1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.836 -12.299 -4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.141 -11.656 -3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.234 -13.059 -3.420 1.00 0.00 H new ATOM 318 N ARG A 20 -11.361 -9.579 0.168 1.00 0.00 N ATOM 319 CA ARG A 20 -12.461 -9.549 1.111 1.00 0.00 C ATOM 320 C ARG A 20 -13.325 -8.311 0.887 1.00 0.00 C ATOM 321 O ARG A 20 -14.543 -8.403 1.044 1.00 0.00 O ATOM 322 CB ARG A 20 -11.938 -9.665 2.549 1.00 0.00 C ATOM 323 CG ARG A 20 -11.258 -11.028 2.785 1.00 0.00 C ATOM 324 CD ARG A 20 -9.752 -10.931 2.985 1.00 0.00 C ATOM 325 NE ARG A 20 -9.143 -12.191 3.408 1.00 0.00 N ATOM 326 CZ ARG A 20 -8.815 -12.562 4.650 1.00 0.00 C ATOM 327 NH1 ARG A 20 -9.140 -11.828 5.710 1.00 0.00 N ATOM 328 NH2 ARG A 20 -8.131 -13.678 4.839 1.00 0.00 N ATOM 0 H ARG A 20 -10.445 -9.420 0.588 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.105 -10.412 0.942 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.228 -8.862 2.747 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.763 -9.541 3.250 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.703 -11.500 3.661 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.462 -11.679 1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.289 -10.606 2.053 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.540 -10.165 3.730 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.945 -12.866 2.669 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.654 -10.955 5.588 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.876 -12.138 6.645 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.857 -14.250 4.040 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.877 -13.967 5.784 1.00 0.00 H new ATOM 342 N SER A 21 -12.739 -7.163 0.538 1.00 0.00 N ATOM 343 CA SER A 21 -13.458 -5.915 0.312 1.00 0.00 C ATOM 344 C SER A 21 -12.579 -4.941 -0.493 1.00 0.00 C ATOM 345 O SER A 21 -11.710 -4.313 0.113 1.00 0.00 O ATOM 346 CB SER A 21 -13.791 -5.309 1.686 1.00 0.00 C ATOM 347 OG SER A 21 -14.623 -6.151 2.475 1.00 0.00 O ATOM 0 H SER A 21 -11.732 -7.077 0.403 1.00 0.00 H new ATOM 0 HA SER A 21 -14.371 -6.099 -0.254 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.864 -5.114 2.226 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.286 -4.348 1.544 1.00 0.00 H new ATOM 0 HG SER A 21 -14.972 -6.879 1.920 1.00 0.00 H new ATOM 353 N ALA A 22 -12.761 -4.836 -1.821 1.00 0.00 N ATOM 354 CA ALA A 22 -12.165 -3.828 -2.714 1.00 0.00 C ATOM 355 C ALA A 22 -12.599 -4.061 -4.167 1.00 0.00 C ATOM 356 O ALA A 22 -13.071 -5.146 -4.518 1.00 0.00 O ATOM 357 CB ALA A 22 -10.628 -3.864 -2.685 1.00 0.00 C ATOM 0 H ALA A 22 -13.361 -5.488 -2.327 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.516 -2.861 -2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.233 -3.103 -3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.279 -3.667 -1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.281 -4.847 -3.004 1.00 0.00 H new ATOM 363 N LYS A 23 -12.345 -3.079 -5.043 1.00 0.00 N ATOM 364 CA LYS A 23 -12.626 -3.135 -6.481 1.00 0.00 C ATOM 365 C LYS A 23 -11.422 -2.677 -7.295 1.00 0.00 C ATOM 366 O LYS A 23 -10.343 -2.465 -6.733 1.00 0.00 O ATOM 367 CB LYS A 23 -13.901 -2.319 -6.787 1.00 0.00 C ATOM 368 CG LYS A 23 -14.806 -2.975 -7.833 1.00 0.00 C ATOM 369 CD LYS A 23 -15.494 -4.243 -7.309 1.00 0.00 C ATOM 370 CE LYS A 23 -16.769 -3.851 -6.566 1.00 0.00 C ATOM 371 NZ LYS A 23 -17.450 -5.030 -5.998 1.00 0.00 N ATOM 0 H LYS A 23 -11.924 -2.195 -4.758 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.812 -4.167 -6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.465 -2.181 -5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.614 -1.327 -7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.565 -2.260 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.215 -3.225 -8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.732 -4.911 -8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.823 -4.787 -6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.525 -3.151 -5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.444 -3.334 -7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.312 -4.727 -5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.705 -5.686 -6.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.814 -5.509 -5.329 1.00 0.00 H new ATOM 385 N ALA A 24 -11.591 -2.568 -8.612 1.00 0.00 N ATOM 386 CA ALA A 24 -10.589 -1.935 -9.456 1.00 0.00 C ATOM 387 C ALA A 24 -10.541 -0.436 -9.164 1.00 0.00 C ATOM 388 O ALA A 24 -9.456 0.122 -9.065 1.00 0.00 O ATOM 389 CB ALA A 24 -10.897 -2.101 -10.946 1.00 0.00 C ATOM 0 H ALA A 24 -12.411 -2.910 -9.113 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.639 -2.419 -9.232 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.121 -1.612 -11.535 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.927 -3.162 -11.195 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.863 -1.648 -11.171 1.00 0.00 H new ATOM 395 N GLU A 25 -11.691 0.230 -8.995 1.00 0.00 N ATOM 396 CA GLU A 25 -11.722 1.683 -8.784 1.00 0.00 C ATOM 397 C GLU A 25 -11.473 2.042 -7.326 1.00 0.00 C ATOM 398 O GLU A 25 -12.092 2.943 -6.749 1.00 0.00 O ATOM 399 CB GLU A 25 -13.042 2.269 -9.290 1.00 0.00 C ATOM 400 CG GLU A 25 -12.814 3.671 -9.870 1.00 0.00 C ATOM 401 CD GLU A 25 -14.135 4.407 -10.108 1.00 0.00 C ATOM 402 OE1 GLU A 25 -15.012 3.880 -10.833 1.00 0.00 O ATOM 403 OE2 GLU A 25 -14.353 5.506 -9.544 1.00 0.00 O ATOM 0 H GLU A 25 -12.610 -0.213 -9.000 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.911 2.126 -9.362 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.468 1.617 -10.053 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.763 2.318 -8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.192 4.251 -9.187 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.267 3.592 -10.810 1.00 0.00 H new ATOM 410 N ASP A 26 -10.555 1.308 -6.717 1.00 0.00 N ATOM 411 CA ASP A 26 -10.252 1.426 -5.316 1.00 0.00 C ATOM 412 C ASP A 26 -8.870 2.060 -5.168 1.00 0.00 C ATOM 413 O ASP A 26 -8.090 2.075 -6.127 1.00 0.00 O ATOM 414 CB ASP A 26 -10.352 0.035 -4.691 1.00 0.00 C ATOM 415 CG ASP A 26 -10.907 0.089 -3.281 1.00 0.00 C ATOM 416 OD1 ASP A 26 -10.185 0.487 -2.343 1.00 0.00 O ATOM 417 OD2 ASP A 26 -12.097 -0.250 -3.112 1.00 0.00 O ATOM 0 H ASP A 26 -9.995 0.604 -7.198 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.956 2.072 -4.792 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.991 -0.596 -5.309 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.365 -0.428 -4.676 1.00 0.00 H new ATOM 422 N LYS A 27 -8.542 2.585 -3.991 1.00 0.00 N ATOM 423 CA LYS A 27 -7.294 3.302 -3.739 1.00 0.00 C ATOM 424 C LYS A 27 -6.596 2.668 -2.552 1.00 0.00 C ATOM 425 O LYS A 27 -7.261 2.303 -1.577 1.00 0.00 O ATOM 426 CB LYS A 27 -7.577 4.781 -3.462 1.00 0.00 C ATOM 427 CG LYS A 27 -8.173 5.562 -4.644 1.00 0.00 C ATOM 428 CD LYS A 27 -9.578 6.081 -4.321 1.00 0.00 C ATOM 429 CE LYS A 27 -10.052 6.994 -5.454 1.00 0.00 C ATOM 430 NZ LYS A 27 -11.385 7.566 -5.186 1.00 0.00 N ATOM 0 H LYS A 27 -9.146 2.524 -3.171 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.652 3.239 -4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.262 4.852 -2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.647 5.263 -3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.522 6.400 -4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.214 4.919 -5.523 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.268 5.246 -4.199 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.569 6.627 -3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.333 7.801 -5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.081 6.429 -6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.623 8.255 -5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.094 6.805 -5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.379 8.041 -4.261 1.00 0.00 H new ATOM 444 N ILE A 28 -5.283 2.463 -2.656 1.00 0.00 N ATOM 445 CA ILE A 28 -4.443 1.896 -1.614 1.00 0.00 C ATOM 446 C ILE A 28 -3.000 2.385 -1.816 1.00 0.00 C ATOM 447 O ILE A 28 -2.613 2.756 -2.925 1.00 0.00 O ATOM 448 CB ILE A 28 -4.498 0.348 -1.635 1.00 0.00 C ATOM 449 CG1 ILE A 28 -5.813 -0.327 -2.124 1.00 0.00 C ATOM 450 CG2 ILE A 28 -4.255 -0.103 -0.182 1.00 0.00 C ATOM 451 CD1 ILE A 28 -5.616 -1.796 -2.458 1.00 0.00 C ATOM 0 H ILE A 28 -4.761 2.697 -3.501 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.810 2.224 -0.642 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.754 0.036 -2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.577 -0.231 -1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.182 0.198 -3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.282 -1.191 -0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.280 0.252 0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.031 0.310 0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.561 -2.223 -2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.872 -1.893 -3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.273 -2.328 -1.571 1.00 0.00 H new ATOM 463 N VAL A 29 -2.206 2.358 -0.747 1.00 0.00 N ATOM 464 CA VAL A 29 -0.777 2.660 -0.655 1.00 0.00 C ATOM 465 C VAL A 29 -0.221 1.872 0.547 1.00 0.00 C ATOM 466 O VAL A 29 -0.981 1.580 1.472 1.00 0.00 O ATOM 467 CB VAL A 29 -0.553 4.184 -0.485 1.00 0.00 C ATOM 468 CG1 VAL A 29 0.906 4.557 -0.158 1.00 0.00 C ATOM 469 CG2 VAL A 29 -0.946 4.950 -1.757 1.00 0.00 C ATOM 0 H VAL A 29 -2.583 2.099 0.165 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.257 2.367 -1.567 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.186 4.465 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.990 5.639 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.204 4.077 0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.557 4.219 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.777 6.016 -1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.340 4.602 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.000 4.777 -1.975 1.00 0.00 H new ATOM 479 N LEU A 30 1.085 1.559 0.559 1.00 0.00 N ATOM 480 CA LEU A 30 1.778 0.811 1.620 1.00 0.00 C ATOM 481 C LEU A 30 2.831 1.672 2.304 1.00 0.00 C ATOM 482 O LEU A 30 3.520 2.423 1.619 1.00 0.00 O ATOM 483 CB LEU A 30 2.449 -0.500 1.122 1.00 0.00 C ATOM 484 CG LEU A 30 2.271 -0.991 -0.324 1.00 0.00 C ATOM 485 CD1 LEU A 30 3.203 -2.170 -0.618 1.00 0.00 C ATOM 486 CD2 LEU A 30 0.850 -1.445 -0.647 1.00 0.00 C ATOM 0 H LEU A 30 1.711 1.831 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 30 0.997 0.535 2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.520 -0.392 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.102 -1.302 1.774 1.00 0.00 H new ATOM 0 HG LEU A 30 2.510 -0.127 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.059 -2.500 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.238 -1.859 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.976 -2.991 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.801 -1.777 -1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.573 -2.268 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.160 -0.614 -0.500 1.00 0.00 H new ATOM 498 N ILE A 31 3.011 1.519 3.622 1.00 0.00 N ATOM 499 CA ILE A 31 4.002 2.253 4.410 1.00 0.00 C ATOM 500 C ILE A 31 4.809 1.275 5.276 1.00 0.00 C ATOM 501 O ILE A 31 4.642 0.064 5.163 1.00 0.00 O ATOM 502 CB ILE A 31 3.353 3.434 5.187 1.00 0.00 C ATOM 503 CG1 ILE A 31 2.813 3.043 6.577 1.00 0.00 C ATOM 504 CG2 ILE A 31 2.241 4.142 4.380 1.00 0.00 C ATOM 505 CD1 ILE A 31 2.537 4.240 7.485 1.00 0.00 C ATOM 0 H ILE A 31 2.459 0.867 4.179 1.00 0.00 H new ATOM 0 HA ILE A 31 4.721 2.733 3.746 1.00 0.00 H new ATOM 0 HB ILE A 31 4.175 4.133 5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.893 2.472 6.453 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.532 2.386 7.065 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.825 4.957 4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.660 4.541 3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.453 3.427 4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.160 3.889 8.445 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.460 4.799 7.640 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.795 4.887 7.018 1.00 0.00 H new ATOM 517 N GLN A 32 5.686 1.797 6.132 1.00 0.00 N ATOM 518 CA GLN A 32 6.546 1.175 7.135 1.00 0.00 C ATOM 519 C GLN A 32 6.905 -0.280 6.819 1.00 0.00 C ATOM 520 O GLN A 32 7.883 -0.534 6.118 1.00 0.00 O ATOM 521 CB GLN A 32 6.010 1.362 8.560 1.00 0.00 C ATOM 522 CG GLN A 32 5.756 2.820 8.973 1.00 0.00 C ATOM 523 CD GLN A 32 6.930 3.528 9.653 1.00 0.00 C ATOM 524 OE1 GLN A 32 7.380 3.114 10.719 1.00 0.00 O ATOM 525 NE2 GLN A 32 7.372 4.659 9.127 1.00 0.00 N ATOM 0 H GLN A 32 5.828 2.807 6.137 1.00 0.00 H new ATOM 0 HA GLN A 32 7.492 1.715 7.087 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.078 0.805 8.657 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.720 0.920 9.260 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.478 3.387 8.085 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.900 2.844 9.648 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.991 4.993 8.242 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.094 5.197 9.607 1.00 0.00 H new ATOM 534 N ASN A 33 6.121 -1.229 7.340 1.00 0.00 N ATOM 535 CA ASN A 33 6.279 -2.671 7.113 1.00 0.00 C ATOM 536 C ASN A 33 5.266 -3.172 6.104 1.00 0.00 C ATOM 537 O ASN A 33 5.537 -4.155 5.428 1.00 0.00 O ATOM 538 CB ASN A 33 6.118 -3.484 8.408 1.00 0.00 C ATOM 539 CG ASN A 33 7.118 -3.018 9.445 1.00 0.00 C ATOM 540 OD1 ASN A 33 8.253 -3.470 9.471 1.00 0.00 O ATOM 541 ND2 ASN A 33 6.748 -2.040 10.259 1.00 0.00 N ATOM 0 H ASN A 33 5.334 -1.009 7.951 1.00 0.00 H new ATOM 0 HA ASN A 33 7.291 -2.812 6.733 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.105 -3.372 8.793 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.265 -4.544 8.201 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.416 -1.650 10.924 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.795 -1.677 10.221 1.00 0.00 H new ATOM 548 N GLY A 34 4.119 -2.494 5.984 1.00 0.00 N ATOM 549 CA GLY A 34 3.133 -2.680 4.930 1.00 0.00 C ATOM 550 C GLY A 34 3.757 -2.766 3.542 1.00 0.00 C ATOM 551 O GLY A 34 3.194 -3.424 2.678 1.00 0.00 O ATOM 0 H GLY A 34 3.847 -1.771 6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.567 -3.591 5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.423 -1.853 4.953 1.00 0.00 H new ATOM 555 N VAL A 35 4.930 -2.167 3.322 1.00 0.00 N ATOM 556 CA VAL A 35 5.709 -2.328 2.102 1.00 0.00 C ATOM 557 C VAL A 35 5.875 -3.791 1.662 1.00 0.00 C ATOM 558 O VAL A 35 5.954 -4.028 0.462 1.00 0.00 O ATOM 559 CB VAL A 35 7.062 -1.613 2.217 1.00 0.00 C ATOM 560 CG1 VAL A 35 6.922 -0.113 2.502 1.00 0.00 C ATOM 561 CG2 VAL A 35 7.994 -2.239 3.270 1.00 0.00 C ATOM 0 H VAL A 35 5.369 -1.546 4.002 1.00 0.00 H new ATOM 0 HA VAL A 35 5.133 -1.852 1.309 1.00 0.00 H new ATOM 0 HB VAL A 35 7.516 -1.744 1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.912 0.338 2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.364 0.360 1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.390 0.031 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.933 -1.686 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.517 -2.197 4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.193 -3.278 3.008 1.00 0.00 H new ATOM 571 N PHE A 36 5.859 -4.766 2.581 1.00 0.00 N ATOM 572 CA PHE A 36 5.871 -6.189 2.294 1.00 0.00 C ATOM 573 C PHE A 36 4.764 -6.601 1.314 1.00 0.00 C ATOM 574 O PHE A 36 4.959 -7.577 0.596 1.00 0.00 O ATOM 575 CB PHE A 36 5.726 -6.958 3.614 1.00 0.00 C ATOM 576 CG PHE A 36 6.942 -7.064 4.526 1.00 0.00 C ATOM 577 CD1 PHE A 36 8.023 -6.157 4.482 1.00 0.00 C ATOM 578 CD2 PHE A 36 6.985 -8.129 5.443 1.00 0.00 C ATOM 579 CE1 PHE A 36 9.127 -6.325 5.335 1.00 0.00 C ATOM 580 CE2 PHE A 36 8.093 -8.299 6.289 1.00 0.00 C ATOM 581 CZ PHE A 36 9.160 -7.391 6.246 1.00 0.00 C ATOM 0 H PHE A 36 5.836 -4.567 3.581 1.00 0.00 H new ATOM 0 HA PHE A 36 6.818 -6.431 1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.923 -6.491 4.184 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.401 -7.970 3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.001 -5.329 3.789 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.159 -8.822 5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.953 -5.631 5.289 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.123 -9.132 6.975 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.003 -7.512 6.911 1.00 0.00 H new ATOM 591 N TRP A 37 3.645 -5.862 1.212 1.00 0.00 N ATOM 592 CA TRP A 37 2.592 -6.199 0.263 1.00 0.00 C ATOM 593 C TRP A 37 3.080 -6.111 -1.186 1.00 0.00 C ATOM 594 O TRP A 37 2.505 -6.778 -2.045 1.00 0.00 O ATOM 595 CB TRP A 37 1.325 -5.359 0.442 1.00 0.00 C ATOM 596 CG TRP A 37 0.467 -5.710 1.610 1.00 0.00 C ATOM 597 CD1 TRP A 37 0.442 -5.032 2.772 1.00 0.00 C ATOM 598 CD2 TRP A 37 -0.511 -6.787 1.746 1.00 0.00 C ATOM 599 NE1 TRP A 37 -0.420 -5.660 3.641 1.00 0.00 N ATOM 600 CE2 TRP A 37 -1.065 -6.732 3.056 1.00 0.00 C ATOM 601 CE3 TRP A 37 -0.975 -7.816 0.903 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -2.027 -7.656 3.502 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -1.957 -8.734 1.331 1.00 0.00 C ATOM 604 CH2 TRP A 37 -2.505 -8.641 2.624 1.00 0.00 C ATOM 0 H TRP A 37 3.456 -5.033 1.776 1.00 0.00 H new ATOM 0 HA TRP A 37 2.328 -7.234 0.483 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.617 -4.313 0.532 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.725 -5.446 -0.464 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.008 -4.138 2.988 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.566 -5.367 4.607 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.569 -7.904 -0.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.396 -7.608 4.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.291 -9.513 0.662 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.284 -9.320 2.937 1.00 0.00 H new ATOM 615 N ALA A 38 4.135 -5.341 -1.480 1.00 0.00 N ATOM 616 CA ALA A 38 4.739 -5.228 -2.801 1.00 0.00 C ATOM 617 C ALA A 38 5.697 -6.381 -3.038 1.00 0.00 C ATOM 618 O ALA A 38 6.723 -6.156 -3.672 1.00 0.00 O ATOM 619 CB ALA A 38 5.463 -3.873 -2.875 1.00 0.00 C ATOM 0 H ALA A 38 4.601 -4.764 -0.780 1.00 0.00 H new ATOM 0 HA ALA A 38 3.977 -5.276 -3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.926 -3.761 -3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.745 -3.068 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.232 -3.829 -2.104 1.00 0.00 H new ATOM 625 N LEU A 39 5.346 -7.590 -2.578 1.00 0.00 N ATOM 626 CA LEU A 39 6.135 -8.813 -2.625 1.00 0.00 C ATOM 627 C LEU A 39 5.418 -9.965 -1.897 1.00 0.00 C ATOM 628 O LEU A 39 5.982 -10.705 -1.087 1.00 0.00 O ATOM 629 CB LEU A 39 7.604 -8.577 -2.243 1.00 0.00 C ATOM 630 CG LEU A 39 8.016 -7.895 -0.922 1.00 0.00 C ATOM 631 CD1 LEU A 39 9.547 -7.957 -0.939 1.00 0.00 C ATOM 632 CD2 LEU A 39 7.744 -6.395 -0.733 1.00 0.00 C ATOM 0 H LEU A 39 4.440 -7.742 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 39 6.205 -9.150 -3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.090 -9.552 -2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.046 -7.990 -3.048 1.00 0.00 H new ATOM 0 HG LEU A 39 7.441 -8.407 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.940 -7.494 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.869 -8.998 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.923 -7.424 -1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.096 -6.082 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.269 -5.830 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.673 -6.207 -0.811 1.00 0.00 H new ATOM 644 N GLU A 40 4.143 -10.135 -2.246 1.00 0.00 N ATOM 645 CA GLU A 40 3.215 -11.188 -1.808 1.00 0.00 C ATOM 646 C GLU A 40 2.803 -12.047 -3.021 1.00 0.00 C ATOM 647 O GLU A 40 3.428 -11.957 -4.083 1.00 0.00 O ATOM 648 CB GLU A 40 1.997 -10.541 -1.121 1.00 0.00 C ATOM 649 CG GLU A 40 2.353 -9.712 0.103 1.00 0.00 C ATOM 650 CD GLU A 40 2.806 -10.496 1.340 1.00 0.00 C ATOM 651 OE1 GLU A 40 2.472 -11.697 1.460 1.00 0.00 O ATOM 652 OE2 GLU A 40 3.448 -9.889 2.226 1.00 0.00 O ATOM 0 H GLU A 40 3.692 -9.490 -2.895 1.00 0.00 H new ATOM 0 HA GLU A 40 3.698 -11.844 -1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.480 -9.906 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.298 -11.324 -0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.146 -9.017 -0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.485 -9.113 0.376 1.00 0.00 H new ATOM 659 N GLU A 41 1.790 -12.907 -2.880 1.00 0.00 N ATOM 660 CA GLU A 41 1.386 -13.926 -3.849 1.00 0.00 C ATOM 661 C GLU A 41 -0.010 -13.709 -4.447 1.00 0.00 C ATOM 662 O GLU A 41 -0.887 -14.572 -4.386 1.00 0.00 O ATOM 663 CB GLU A 41 1.595 -15.323 -3.222 1.00 0.00 C ATOM 664 CG GLU A 41 2.838 -16.008 -3.790 1.00 0.00 C ATOM 665 CD GLU A 41 2.670 -16.503 -5.234 1.00 0.00 C ATOM 666 OE1 GLU A 41 1.692 -16.139 -5.927 1.00 0.00 O ATOM 667 OE2 GLU A 41 3.559 -17.250 -5.695 1.00 0.00 O ATOM 0 H GLU A 41 1.202 -12.910 -2.046 1.00 0.00 H new ATOM 0 HA GLU A 41 2.030 -13.841 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.692 -15.227 -2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.718 -15.943 -3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.675 -15.311 -3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.097 -16.854 -3.154 1.00 0.00 H new ATOM 674 N LEU A 42 -0.206 -12.575 -5.123 1.00 0.00 N ATOM 675 CA LEU A 42 -1.452 -12.093 -5.736 1.00 0.00 C ATOM 676 C LEU A 42 -1.145 -10.776 -6.490 1.00 0.00 C ATOM 677 O LEU A 42 -0.026 -10.588 -6.968 1.00 0.00 O ATOM 678 CB LEU A 42 -2.515 -11.963 -4.616 1.00 0.00 C ATOM 679 CG LEU A 42 -3.568 -13.085 -4.610 1.00 0.00 C ATOM 680 CD1 LEU A 42 -3.808 -13.638 -3.195 1.00 0.00 C ATOM 681 CD2 LEU A 42 -4.917 -12.672 -5.191 1.00 0.00 C ATOM 0 H LEU A 42 0.560 -11.917 -5.269 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.860 -12.781 -6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.009 -11.950 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.023 -11.004 -4.723 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.140 -13.854 -5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.558 -14.428 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.876 -14.042 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.160 -12.836 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.604 -13.517 -5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.325 -11.845 -4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.787 -12.359 -6.227 1.00 0.00 H new ATOM 693 N GLU A 43 -2.142 -9.898 -6.647 1.00 0.00 N ATOM 694 CA GLU A 43 -2.082 -8.477 -7.011 1.00 0.00 C ATOM 695 C GLU A 43 -3.443 -7.859 -6.620 1.00 0.00 C ATOM 696 O GLU A 43 -4.289 -8.596 -6.115 1.00 0.00 O ATOM 697 CB GLU A 43 -1.810 -8.297 -8.510 1.00 0.00 C ATOM 698 CG GLU A 43 -2.876 -8.913 -9.430 1.00 0.00 C ATOM 699 CD GLU A 43 -2.886 -8.200 -10.781 1.00 0.00 C ATOM 700 OE1 GLU A 43 -1.802 -7.982 -11.363 1.00 0.00 O ATOM 701 OE2 GLU A 43 -3.969 -7.784 -11.242 1.00 0.00 O ATOM 0 H GLU A 43 -3.108 -10.194 -6.508 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.264 -7.982 -6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.733 -7.232 -8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.843 -8.741 -8.747 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.674 -9.974 -9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.858 -8.836 -8.963 1.00 0.00 H new ATOM 708 N THR A 44 -3.709 -6.580 -6.896 1.00 0.00 N ATOM 709 CA THR A 44 -5.020 -5.889 -6.909 1.00 0.00 C ATOM 710 C THR A 44 -5.252 -5.257 -8.277 1.00 0.00 C ATOM 711 O THR A 44 -4.288 -4.818 -8.901 1.00 0.00 O ATOM 712 CB THR A 44 -5.191 -4.882 -5.776 1.00 0.00 C ATOM 713 OG1 THR A 44 -6.469 -4.283 -5.674 1.00 0.00 O ATOM 714 CG2 THR A 44 -4.204 -3.787 -5.875 1.00 0.00 C ATOM 0 H THR A 44 -2.954 -5.938 -7.138 1.00 0.00 H new ATOM 0 HA THR A 44 -5.787 -6.642 -6.729 1.00 0.00 H new ATOM 0 HB THR A 44 -5.042 -5.491 -4.885 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.530 -3.783 -4.833 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.353 -3.087 -5.053 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.196 -4.199 -5.822 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.333 -3.266 -6.823 1.00 0.00 H new ATOM 722 N PRO A 45 -6.518 -5.100 -8.700 1.00 0.00 N ATOM 723 CA PRO A 45 -6.863 -4.197 -9.771 1.00 0.00 C ATOM 724 C PRO A 45 -6.958 -2.728 -9.318 1.00 0.00 C ATOM 725 O PRO A 45 -7.175 -1.857 -10.156 1.00 0.00 O ATOM 726 CB PRO A 45 -8.206 -4.711 -10.265 1.00 0.00 C ATOM 727 CG PRO A 45 -8.884 -5.352 -9.070 1.00 0.00 C ATOM 728 CD PRO A 45 -7.719 -5.739 -8.178 1.00 0.00 C ATOM 0 HA PRO A 45 -6.095 -4.186 -10.545 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.811 -3.897 -10.664 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.073 -5.434 -11.070 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.561 -4.658 -8.571 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.475 -6.221 -9.360 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.904 -5.422 -7.152 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.597 -6.822 -8.160 1.00 0.00 H new ATOM 736 N ALA A 46 -6.790 -2.441 -8.024 1.00 0.00 N ATOM 737 CA ALA A 46 -6.830 -1.092 -7.463 1.00 0.00 C ATOM 738 C ALA A 46 -5.506 -0.400 -7.773 1.00 0.00 C ATOM 739 O ALA A 46 -4.536 -1.066 -8.140 1.00 0.00 O ATOM 740 CB ALA A 46 -6.984 -1.188 -5.941 1.00 0.00 C ATOM 0 H ALA A 46 -6.618 -3.160 -7.322 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.664 -0.534 -7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.015 -0.185 -5.514 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.909 -1.713 -5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.138 -1.734 -5.523 1.00 0.00 H new ATOM 746 N LYS A 47 -5.418 0.917 -7.567 1.00 0.00 N ATOM 747 CA LYS A 47 -4.153 1.587 -7.735 1.00 0.00 C ATOM 748 C LYS A 47 -3.378 1.296 -6.459 1.00 0.00 C ATOM 749 O LYS A 47 -3.946 1.296 -5.360 1.00 0.00 O ATOM 750 CB LYS A 47 -4.402 3.064 -8.045 1.00 0.00 C ATOM 751 CG LYS A 47 -4.940 3.797 -6.820 1.00 0.00 C ATOM 752 CD LYS A 47 -5.412 5.234 -6.940 1.00 0.00 C ATOM 753 CE LYS A 47 -4.586 6.042 -7.923 1.00 0.00 C ATOM 754 NZ LYS A 47 -5.225 7.328 -8.264 1.00 0.00 N ATOM 0 H LYS A 47 -6.195 1.517 -7.290 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.557 1.240 -8.579 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.474 3.531 -8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.113 3.152 -8.867 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.776 3.213 -6.434 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.158 3.775 -6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.456 5.244 -7.254 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.370 5.709 -5.960 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.600 6.230 -7.498 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.436 5.461 -8.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.625 7.846 -8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.155 7.150 -8.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.345 7.896 -7.401 1.00 0.00 H new ATOM 768 N VAL A 48 -2.103 0.976 -6.598 1.00 0.00 N ATOM 769 CA VAL A 48 -1.250 0.518 -5.555 1.00 0.00 C ATOM 770 C VAL A 48 0.081 1.171 -5.804 1.00 0.00 C ATOM 771 O VAL A 48 0.487 1.401 -6.948 1.00 0.00 O ATOM 772 CB VAL A 48 -1.095 -0.992 -5.660 1.00 0.00 C ATOM 773 CG1 VAL A 48 -2.327 -1.686 -5.109 1.00 0.00 C ATOM 774 CG2 VAL A 48 -0.800 -1.474 -7.081 1.00 0.00 C ATOM 0 H VAL A 48 -1.625 1.038 -7.497 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.646 0.759 -4.568 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.225 -1.258 -5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.203 -2.766 -5.190 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.460 -1.414 -4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.204 -1.378 -5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.701 -2.560 -7.084 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.617 -1.182 -7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.129 -1.024 -7.432 1.00 0.00 H new ATOM 784 N TYR A 49 0.726 1.455 -4.696 1.00 0.00 N ATOM 785 CA TYR A 49 1.962 2.186 -4.604 1.00 0.00 C ATOM 786 C TYR A 49 2.491 1.912 -3.199 1.00 0.00 C ATOM 787 O TYR A 49 1.711 1.554 -2.317 1.00 0.00 O ATOM 788 CB TYR A 49 1.656 3.677 -4.728 1.00 0.00 C ATOM 789 CG TYR A 49 0.840 4.153 -5.918 1.00 0.00 C ATOM 790 CD1 TYR A 49 1.464 4.519 -7.128 1.00 0.00 C ATOM 791 CD2 TYR A 49 -0.563 4.244 -5.803 1.00 0.00 C ATOM 792 CE1 TYR A 49 0.694 5.002 -8.202 1.00 0.00 C ATOM 793 CE2 TYR A 49 -1.330 4.700 -6.879 1.00 0.00 C ATOM 794 CZ TYR A 49 -0.711 5.092 -8.080 1.00 0.00 C ATOM 795 OH TYR A 49 -1.474 5.591 -9.087 1.00 0.00 O ATOM 0 H TYR A 49 0.378 1.163 -3.783 1.00 0.00 H new ATOM 0 HA TYR A 49 2.673 1.898 -5.378 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.132 3.984 -3.823 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.606 4.210 -4.743 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.535 4.428 -7.231 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.047 3.960 -4.880 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.177 5.304 -9.120 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.405 4.752 -6.788 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.111 4.908 -9.384 1.00 0.00 H new ATOM 805 N ALA A 50 3.770 2.132 -2.939 1.00 0.00 N ATOM 806 CA ALA A 50 4.369 1.999 -1.613 1.00 0.00 C ATOM 807 C ALA A 50 5.152 3.292 -1.340 1.00 0.00 C ATOM 808 O ALA A 50 5.522 3.996 -2.282 1.00 0.00 O ATOM 809 CB ALA A 50 5.258 0.756 -1.618 1.00 0.00 C ATOM 0 H ALA A 50 4.438 2.414 -3.656 1.00 0.00 H new ATOM 0 HA ALA A 50 3.632 1.870 -0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.718 0.634 -0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.654 -0.122 -1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.037 0.869 -2.373 1.00 0.00 H new ATOM 815 N ILE A 51 5.395 3.621 -0.072 1.00 0.00 N ATOM 816 CA ILE A 51 6.180 4.782 0.333 1.00 0.00 C ATOM 817 C ILE A 51 7.645 4.429 0.194 1.00 0.00 C ATOM 818 O ILE A 51 8.154 3.527 0.874 1.00 0.00 O ATOM 819 CB ILE A 51 5.803 5.235 1.755 1.00 0.00 C ATOM 820 CG1 ILE A 51 4.371 5.777 1.820 1.00 0.00 C ATOM 821 CG2 ILE A 51 6.764 6.305 2.304 1.00 0.00 C ATOM 822 CD1 ILE A 51 3.963 6.795 0.753 1.00 0.00 C ATOM 0 H ILE A 51 5.044 3.077 0.716 1.00 0.00 H new ATOM 0 HA ILE A 51 5.965 5.635 -0.311 1.00 0.00 H new ATOM 0 HB ILE A 51 5.880 4.342 2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.686 4.931 1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.227 6.236 2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.455 6.591 3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.776 5.902 2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.742 7.181 1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.928 7.096 0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.610 7.670 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.060 6.345 -0.235 1.00 0.00 H new ATOM 834 N LYS A 52 8.321 5.129 -0.714 1.00 0.00 N ATOM 835 CA LYS A 52 9.709 4.877 -1.031 1.00 0.00 C ATOM 836 C LYS A 52 10.572 5.066 0.200 1.00 0.00 C ATOM 837 O LYS A 52 11.281 4.137 0.568 1.00 0.00 O ATOM 838 CB LYS A 52 10.142 5.712 -2.243 1.00 0.00 C ATOM 839 CG LYS A 52 11.452 5.143 -2.801 1.00 0.00 C ATOM 840 CD LYS A 52 11.702 5.522 -4.261 1.00 0.00 C ATOM 841 CE LYS A 52 12.264 6.933 -4.429 1.00 0.00 C ATOM 842 NZ LYS A 52 12.592 7.199 -5.845 1.00 0.00 N ATOM 0 H LYS A 52 7.909 5.892 -1.251 1.00 0.00 H new ATOM 0 HA LYS A 52 9.842 3.837 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.367 5.693 -3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.278 6.754 -1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.283 5.500 -2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.435 4.057 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.396 4.807 -4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.767 5.442 -4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.537 7.664 -4.075 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.157 7.050 -3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.110 8.098 -5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.183 6.427 -6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.714 7.260 -6.399 1.00 0.00 H new ATOM 856 N ASP A 53 10.443 6.198 0.889 1.00 0.00 N ATOM 857 CA ASP A 53 11.188 6.505 2.111 1.00 0.00 C ATOM 858 C ASP A 53 11.100 5.358 3.117 1.00 0.00 C ATOM 859 O ASP A 53 12.109 5.000 3.728 1.00 0.00 O ATOM 860 CB ASP A 53 10.635 7.777 2.776 1.00 0.00 C ATOM 861 CG ASP A 53 10.711 9.011 1.886 1.00 0.00 C ATOM 862 OD1 ASP A 53 11.776 9.668 1.852 1.00 0.00 O ATOM 863 OD2 ASP A 53 9.714 9.308 1.189 1.00 0.00 O ATOM 0 H ASP A 53 9.805 6.943 0.609 1.00 0.00 H new ATOM 0 HA ASP A 53 12.229 6.655 1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.596 7.607 3.060 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.189 7.967 3.695 1.00 0.00 H new ATOM 868 N ASP A 54 9.910 4.772 3.297 1.00 0.00 N ATOM 869 CA ASP A 54 9.685 3.671 4.226 1.00 0.00 C ATOM 870 C ASP A 54 10.274 2.341 3.759 1.00 0.00 C ATOM 871 O ASP A 54 10.733 1.553 4.587 1.00 0.00 O ATOM 872 CB ASP A 54 8.175 3.503 4.462 1.00 0.00 C ATOM 873 CG ASP A 54 7.753 4.004 5.834 1.00 0.00 C ATOM 874 OD1 ASP A 54 8.533 3.834 6.790 1.00 0.00 O ATOM 875 OD2 ASP A 54 6.587 4.415 6.000 1.00 0.00 O ATOM 0 H ASP A 54 9.070 5.056 2.793 1.00 0.00 H new ATOM 0 HA ASP A 54 10.202 3.934 5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.625 4.046 3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.907 2.451 4.362 1.00 0.00 H new ATOM 880 N PHE A 55 10.260 2.069 2.453 1.00 0.00 N ATOM 881 CA PHE A 55 10.823 0.855 1.859 1.00 0.00 C ATOM 882 C PHE A 55 12.340 0.881 1.950 1.00 0.00 C ATOM 883 O PHE A 55 12.981 -0.086 2.349 1.00 0.00 O ATOM 884 CB PHE A 55 10.390 0.782 0.391 1.00 0.00 C ATOM 885 CG PHE A 55 10.599 -0.547 -0.311 1.00 0.00 C ATOM 886 CD1 PHE A 55 10.068 -1.719 0.250 1.00 0.00 C ATOM 887 CD2 PHE A 55 11.243 -0.620 -1.560 1.00 0.00 C ATOM 888 CE1 PHE A 55 10.170 -2.951 -0.410 1.00 0.00 C ATOM 889 CE2 PHE A 55 11.370 -1.860 -2.211 1.00 0.00 C ATOM 890 CZ PHE A 55 10.870 -3.033 -1.621 1.00 0.00 C ATOM 0 H PHE A 55 9.849 2.699 1.765 1.00 0.00 H new ATOM 0 HA PHE A 55 10.460 -0.020 2.399 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.331 1.035 0.335 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.931 1.549 -0.163 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.572 -1.670 1.208 1.00 0.00 H new ATOM 0 HD2 PHE A 55 11.639 0.274 -2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 55 9.711 -3.833 0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.857 -1.911 -3.174 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.024 -3.990 -2.097 1.00 0.00 H new ATOM 900 N LEU A 56 12.912 2.034 1.635 1.00 0.00 N ATOM 901 CA LEU A 56 14.318 2.339 1.804 1.00 0.00 C ATOM 902 C LEU A 56 14.679 2.215 3.277 1.00 0.00 C ATOM 903 O LEU A 56 15.700 1.610 3.608 1.00 0.00 O ATOM 904 CB LEU A 56 14.567 3.753 1.273 1.00 0.00 C ATOM 905 CG LEU A 56 14.347 3.857 -0.249 1.00 0.00 C ATOM 906 CD1 LEU A 56 14.530 5.320 -0.663 1.00 0.00 C ATOM 907 CD2 LEU A 56 15.331 3.004 -1.054 1.00 0.00 C ATOM 0 H LEU A 56 12.384 2.812 1.239 1.00 0.00 H new ATOM 0 HA LEU A 56 14.947 1.643 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.903 4.451 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.588 4.053 1.511 1.00 0.00 H new ATOM 0 HG LEU A 56 13.343 3.490 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.378 5.416 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.804 5.940 -0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.538 5.647 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.126 3.119 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.350 3.328 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.218 1.957 -0.774 1.00 0.00 H new ATOM 919 N ALA A 57 13.817 2.707 4.172 1.00 0.00 N ATOM 920 CA ALA A 57 13.980 2.504 5.601 1.00 0.00 C ATOM 921 C ALA A 57 13.778 1.044 6.033 1.00 0.00 C ATOM 922 O ALA A 57 13.981 0.740 7.211 1.00 0.00 O ATOM 923 CB ALA A 57 13.047 3.422 6.395 1.00 0.00 C ATOM 0 H ALA A 57 12.993 3.253 3.921 1.00 0.00 H new ATOM 0 HA ALA A 57 15.016 2.760 5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.189 3.250 7.462 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.275 4.462 6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.012 3.208 6.128 1.00 0.00 H new ATOM 929 N ARG A 58 13.397 0.132 5.129 1.00 0.00 N ATOM 930 CA ARG A 58 13.354 -1.305 5.412 1.00 0.00 C ATOM 931 C ARG A 58 14.399 -2.029 4.556 1.00 0.00 C ATOM 932 O ARG A 58 14.213 -3.193 4.205 1.00 0.00 O ATOM 933 CB ARG A 58 11.924 -1.811 5.135 1.00 0.00 C ATOM 934 CG ARG A 58 11.551 -3.120 5.855 1.00 0.00 C ATOM 935 CD ARG A 58 10.367 -2.939 6.812 1.00 0.00 C ATOM 936 NE ARG A 58 10.832 -2.311 8.059 1.00 0.00 N ATOM 937 CZ ARG A 58 11.343 -2.998 9.094 1.00 0.00 C ATOM 938 NH1 ARG A 58 11.189 -4.317 9.181 1.00 0.00 N ATOM 939 NH2 ARG A 58 12.003 -2.354 10.046 1.00 0.00 N ATOM 0 H ARG A 58 13.110 0.372 4.180 1.00 0.00 H new ATOM 0 HA ARG A 58 13.596 -1.507 6.455 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.216 -1.036 5.430 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.807 -1.957 4.061 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.305 -3.882 5.115 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.414 -3.484 6.412 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.600 -2.320 6.345 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.910 -3.905 7.028 1.00 0.00 H new ATOM 0 HE ARG A 58 10.762 -1.297 8.142 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.677 -4.820 8.456 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.583 -4.825 9.973 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.121 -1.342 9.990 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.393 -2.870 10.834 1.00 0.00 H new ATOM 953 N GLY A 59 15.553 -1.385 4.359 1.00 0.00 N ATOM 954 CA GLY A 59 16.735 -1.929 3.714 1.00 0.00 C ATOM 955 C GLY A 59 16.441 -2.680 2.415 1.00 0.00 C ATOM 956 O GLY A 59 16.956 -3.787 2.252 1.00 0.00 O ATOM 0 H GLY A 59 15.687 -0.421 4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.429 -1.115 3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.237 -2.604 4.407 1.00 0.00 H new ATOM 960 N TYR A 60 15.659 -2.093 1.506 1.00 0.00 N ATOM 961 CA TYR A 60 15.398 -2.585 0.166 1.00 0.00 C ATOM 962 C TYR A 60 15.995 -1.592 -0.833 1.00 0.00 C ATOM 963 O TYR A 60 16.240 -0.426 -0.505 1.00 0.00 O ATOM 964 CB TYR A 60 13.886 -2.638 -0.071 1.00 0.00 C ATOM 965 CG TYR A 60 13.092 -3.729 0.623 1.00 0.00 C ATOM 966 CD1 TYR A 60 12.962 -4.994 0.024 1.00 0.00 C ATOM 967 CD2 TYR A 60 12.326 -3.432 1.764 1.00 0.00 C ATOM 968 CE1 TYR A 60 12.135 -5.974 0.588 1.00 0.00 C ATOM 969 CE2 TYR A 60 11.443 -4.387 2.298 1.00 0.00 C ATOM 970 CZ TYR A 60 11.368 -5.673 1.733 1.00 0.00 C ATOM 971 OH TYR A 60 10.547 -6.606 2.281 1.00 0.00 O ATOM 0 H TYR A 60 15.170 -1.219 1.702 1.00 0.00 H new ATOM 0 HA TYR A 60 15.832 -3.577 0.046 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.467 -1.678 0.230 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.720 -2.736 -1.144 1.00 0.00 H new ATOM 0 HD1 TYR A 60 13.507 -5.213 -0.883 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.416 -2.464 2.234 1.00 0.00 H new ATOM 0 HE1 TYR A 60 12.085 -6.959 0.147 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.821 -4.133 3.144 1.00 0.00 H new ATOM 0 HH TYR A 60 10.146 -6.248 3.100 1.00 0.00 H new ATOM 981 N SER A 61 16.169 -2.031 -2.074 1.00 0.00 N ATOM 982 CA SER A 61 16.459 -1.179 -3.211 1.00 0.00 C ATOM 983 C SER A 61 15.156 -0.774 -3.896 1.00 0.00 C ATOM 984 O SER A 61 14.113 -1.387 -3.692 1.00 0.00 O ATOM 985 CB SER A 61 17.372 -1.970 -4.141 1.00 0.00 C ATOM 986 OG SER A 61 17.906 -1.119 -5.131 1.00 0.00 O ATOM 0 H SER A 61 16.110 -3.019 -2.319 1.00 0.00 H new ATOM 0 HA SER A 61 16.957 -0.257 -2.910 1.00 0.00 H new ATOM 0 HB2 SER A 61 18.179 -2.428 -3.569 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.814 -2.781 -4.609 1.00 0.00 H new ATOM 0 HG SER A 61 18.493 -1.634 -5.723 1.00 0.00 H new ATOM 992 N GLU A 62 15.213 0.229 -4.769 1.00 0.00 N ATOM 993 CA GLU A 62 14.068 0.723 -5.516 1.00 0.00 C ATOM 994 C GLU A 62 13.550 -0.306 -6.526 1.00 0.00 C ATOM 995 O GLU A 62 12.486 -0.127 -7.110 1.00 0.00 O ATOM 996 CB GLU A 62 14.434 2.011 -6.262 1.00 0.00 C ATOM 997 CG GLU A 62 15.067 3.105 -5.397 1.00 0.00 C ATOM 998 CD GLU A 62 15.215 4.390 -6.216 1.00 0.00 C ATOM 999 OE1 GLU A 62 14.187 4.984 -6.624 1.00 0.00 O ATOM 1000 OE2 GLU A 62 16.365 4.774 -6.519 1.00 0.00 O ATOM 0 H GLU A 62 16.077 0.729 -4.978 1.00 0.00 H new ATOM 0 HA GLU A 62 13.278 0.919 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.124 1.762 -7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.533 2.412 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.448 3.291 -4.519 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.042 2.778 -5.036 1.00 0.00 H new ATOM 1007 N GLU A 63 14.303 -1.376 -6.769 1.00 0.00 N ATOM 1008 CA GLU A 63 13.981 -2.397 -7.748 1.00 0.00 C ATOM 1009 C GLU A 63 13.629 -3.723 -7.062 1.00 0.00 C ATOM 1010 O GLU A 63 13.467 -4.748 -7.723 1.00 0.00 O ATOM 1011 CB GLU A 63 15.169 -2.508 -8.716 1.00 0.00 C ATOM 1012 CG GLU A 63 14.697 -2.730 -10.150 1.00 0.00 C ATOM 1013 CD GLU A 63 13.943 -1.513 -10.701 1.00 0.00 C ATOM 1014 OE1 GLU A 63 14.567 -0.437 -10.877 1.00 0.00 O ATOM 1015 OE2 GLU A 63 12.730 -1.659 -10.980 1.00 0.00 O ATOM 0 H GLU A 63 15.176 -1.557 -6.274 1.00 0.00 H new ATOM 0 HA GLU A 63 13.093 -2.127 -8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.769 -1.599 -8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.813 -3.333 -8.411 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.556 -2.943 -10.786 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.049 -3.606 -10.187 1.00 0.00 H new ATOM 1022 N ASP A 64 13.530 -3.725 -5.728 1.00 0.00 N ATOM 1023 CA ASP A 64 13.203 -4.923 -4.961 1.00 0.00 C ATOM 1024 C ASP A 64 11.700 -5.129 -4.821 1.00 0.00 C ATOM 1025 O ASP A 64 11.275 -6.251 -4.542 1.00 0.00 O ATOM 1026 CB ASP A 64 13.747 -4.819 -3.537 1.00 0.00 C ATOM 1027 CG ASP A 64 15.101 -5.470 -3.330 1.00 0.00 C ATOM 1028 OD1 ASP A 64 15.199 -6.709 -3.474 1.00 0.00 O ATOM 1029 OD2 ASP A 64 16.032 -4.768 -2.878 1.00 0.00 O ATOM 0 H ASP A 64 13.675 -2.895 -5.154 1.00 0.00 H new ATOM 0 HA ASP A 64 13.650 -5.752 -5.509 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.819 -3.766 -3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.031 -5.276 -2.854 1.00 0.00 H new ATOM 1034 N SER A 65 10.917 -4.051 -4.886 1.00 0.00 N ATOM 1035 CA SER A 65 9.476 -4.128 -4.723 1.00 0.00 C ATOM 1036 C SER A 65 8.841 -4.540 -6.058 1.00 0.00 C ATOM 1037 O SER A 65 9.455 -4.361 -7.111 1.00 0.00 O ATOM 1038 CB SER A 65 8.921 -2.760 -4.321 1.00 0.00 C ATOM 1039 OG SER A 65 8.439 -2.723 -2.998 1.00 0.00 O ATOM 0 H SER A 65 11.268 -3.108 -5.052 1.00 0.00 H new ATOM 0 HA SER A 65 9.244 -4.859 -3.948 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.703 -2.010 -4.437 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.115 -2.488 -5.002 1.00 0.00 H new ATOM 0 HG SER A 65 9.155 -2.430 -2.397 1.00 0.00 H new ATOM 1045 N LYS A 66 7.568 -4.954 -6.041 1.00 0.00 N ATOM 1046 CA LYS A 66 6.783 -5.132 -7.263 1.00 0.00 C ATOM 1047 C LYS A 66 5.642 -4.124 -7.379 1.00 0.00 C ATOM 1048 O LYS A 66 4.634 -4.436 -8.017 1.00 0.00 O ATOM 1049 CB LYS A 66 6.304 -6.603 -7.332 1.00 0.00 C ATOM 1050 CG LYS A 66 5.358 -7.086 -6.215 1.00 0.00 C ATOM 1051 CD LYS A 66 4.308 -8.110 -6.660 1.00 0.00 C ATOM 1052 CE LYS A 66 3.894 -9.050 -5.509 1.00 0.00 C ATOM 1053 NZ LYS A 66 2.832 -9.970 -5.946 1.00 0.00 N ATOM 0 H LYS A 66 7.058 -5.173 -5.185 1.00 0.00 H new ATOM 0 HA LYS A 66 7.413 -4.928 -8.129 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.802 -6.751 -8.288 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.184 -7.246 -7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.956 -7.524 -5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.846 -6.221 -5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.428 -7.587 -7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.705 -8.701 -7.486 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.759 -9.620 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.546 -8.462 -4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.844 -10.822 -5.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.908 -9.500 -5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.992 -10.238 -6.938 1.00 0.00 H new ATOM 1067 N VAL A 67 5.834 -2.875 -6.943 1.00 0.00 N ATOM 1068 CA VAL A 67 4.860 -1.784 -7.139 1.00 0.00 C ATOM 1069 C VAL A 67 5.592 -0.447 -7.276 1.00 0.00 C ATOM 1070 O VAL A 67 6.766 -0.360 -6.911 1.00 0.00 O ATOM 1071 CB VAL A 67 3.787 -1.753 -6.008 1.00 0.00 C ATOM 1072 CG1 VAL A 67 3.249 -3.132 -5.602 1.00 0.00 C ATOM 1073 CG2 VAL A 67 4.237 -0.967 -4.761 1.00 0.00 C ATOM 0 H VAL A 67 6.673 -2.586 -6.440 1.00 0.00 H new ATOM 0 HA VAL A 67 4.317 -1.970 -8.066 1.00 0.00 H new ATOM 0 HB VAL A 67 2.957 -1.215 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.509 -3.015 -4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.785 -3.610 -6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.070 -3.751 -5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.444 -0.985 -4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.136 -1.424 -4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.450 0.065 -5.039 1.00 0.00 H new ATOM 1083 N PRO A 68 4.908 0.611 -7.752 1.00 0.00 N ATOM 1084 CA PRO A 68 5.507 1.914 -7.906 1.00 0.00 C ATOM 1085 C PRO A 68 5.740 2.565 -6.546 1.00 0.00 C ATOM 1086 O PRO A 68 4.817 2.759 -5.748 1.00 0.00 O ATOM 1087 CB PRO A 68 4.575 2.699 -8.820 1.00 0.00 C ATOM 1088 CG PRO A 68 3.265 1.931 -8.909 1.00 0.00 C ATOM 1089 CD PRO A 68 3.500 0.666 -8.106 1.00 0.00 C ATOM 0 HA PRO A 68 6.498 1.870 -8.357 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.406 3.701 -8.425 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.018 2.817 -9.809 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.438 2.511 -8.499 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.011 1.701 -9.944 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.882 0.665 -7.208 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.219 -0.212 -8.688 1.00 0.00 H new ATOM 1097 N LEU A 69 7.000 2.879 -6.289 1.00 0.00 N ATOM 1098 CA LEU A 69 7.495 3.481 -5.071 1.00 0.00 C ATOM 1099 C LEU A 69 7.383 4.987 -5.219 1.00 0.00 C ATOM 1100 O LEU A 69 8.171 5.627 -5.924 1.00 0.00 O ATOM 1101 CB LEU A 69 8.942 3.011 -4.810 1.00 0.00 C ATOM 1102 CG LEU A 69 9.268 1.524 -5.022 1.00 0.00 C ATOM 1103 CD1 LEU A 69 10.769 1.304 -4.802 1.00 0.00 C ATOM 1104 CD2 LEU A 69 8.470 0.629 -4.082 1.00 0.00 C ATOM 0 H LEU A 69 7.743 2.709 -6.967 1.00 0.00 H new ATOM 0 HA LEU A 69 6.909 3.175 -4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.603 3.592 -5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.195 3.265 -3.780 1.00 0.00 H new ATOM 0 HG LEU A 69 8.992 1.256 -6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.008 0.251 -4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.333 1.908 -5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.035 1.596 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.730 -0.414 -4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.704 0.886 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.404 0.774 -4.259 1.00 0.00 H new ATOM 1116 N ILE A 70 6.371 5.540 -4.564 1.00 0.00 N ATOM 1117 CA ILE A 70 6.027 6.951 -4.584 1.00 0.00 C ATOM 1118 C ILE A 70 6.509 7.589 -3.281 1.00 0.00 C ATOM 1119 O ILE A 70 6.831 6.879 -2.327 1.00 0.00 O ATOM 1120 CB ILE A 70 4.512 7.117 -4.817 1.00 0.00 C ATOM 1121 CG1 ILE A 70 3.651 6.767 -3.581 1.00 0.00 C ATOM 1122 CG2 ILE A 70 4.101 6.351 -6.090 1.00 0.00 C ATOM 1123 CD1 ILE A 70 2.160 7.061 -3.768 1.00 0.00 C ATOM 0 H ILE A 70 5.741 4.991 -3.979 1.00 0.00 H new ATOM 0 HA ILE A 70 6.523 7.465 -5.407 1.00 0.00 H new ATOM 0 HB ILE A 70 4.309 8.176 -4.976 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.778 5.710 -3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.018 7.329 -2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.030 6.468 -6.255 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.646 6.749 -6.946 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.336 5.293 -5.970 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.619 6.791 -2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.021 8.123 -3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.777 6.479 -4.606 1.00 0.00 H new ATOM 1135 N THR A 71 6.534 8.913 -3.197 1.00 0.00 N ATOM 1136 CA THR A 71 6.843 9.562 -1.934 1.00 0.00 C ATOM 1137 C THR A 71 5.588 9.649 -1.057 1.00 0.00 C ATOM 1138 O THR A 71 4.460 9.489 -1.534 1.00 0.00 O ATOM 1139 CB THR A 71 7.409 10.954 -2.198 1.00 0.00 C ATOM 1140 OG1 THR A 71 6.570 11.682 -3.076 1.00 0.00 O ATOM 1141 CG2 THR A 71 8.800 10.854 -2.828 1.00 0.00 C ATOM 0 H THR A 71 6.347 9.547 -3.974 1.00 0.00 H new ATOM 0 HA THR A 71 7.589 8.971 -1.402 1.00 0.00 H new ATOM 0 HB THR A 71 7.470 11.471 -1.240 1.00 0.00 H new ATOM 0 HG1 THR A 71 6.368 12.557 -2.685 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.190 11.855 -3.010 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.469 10.322 -2.151 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.734 10.313 -3.772 1.00 0.00 H new ATOM 1149 N TYR A 72 5.763 10.023 0.214 1.00 0.00 N ATOM 1150 CA TYR A 72 4.648 10.375 1.091 1.00 0.00 C ATOM 1151 C TYR A 72 3.729 11.422 0.453 1.00 0.00 C ATOM 1152 O TYR A 72 2.517 11.320 0.575 1.00 0.00 O ATOM 1153 CB TYR A 72 5.192 10.949 2.396 1.00 0.00 C ATOM 1154 CG TYR A 72 6.034 10.032 3.259 1.00 0.00 C ATOM 1155 CD1 TYR A 72 5.425 8.987 3.972 1.00 0.00 C ATOM 1156 CD2 TYR A 72 7.396 10.309 3.463 1.00 0.00 C ATOM 1157 CE1 TYR A 72 6.143 8.279 4.954 1.00 0.00 C ATOM 1158 CE2 TYR A 72 8.126 9.594 4.426 1.00 0.00 C ATOM 1159 CZ TYR A 72 7.500 8.588 5.193 1.00 0.00 C ATOM 1160 OH TYR A 72 8.194 7.955 6.178 1.00 0.00 O ATOM 0 H TYR A 72 6.678 10.089 0.660 1.00 0.00 H new ATOM 0 HA TYR A 72 4.072 9.467 1.270 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.789 11.828 2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 72 4.347 11.292 2.992 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.398 8.724 3.765 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.883 11.074 2.877 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.657 7.501 5.524 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.172 9.815 4.581 1.00 0.00 H new ATOM 0 HH TYR A 72 9.114 8.292 6.199 1.00 0.00 H new ATOM 1170 N SER A 73 4.288 12.427 -0.215 1.00 0.00 N ATOM 1171 CA SER A 73 3.537 13.532 -0.788 1.00 0.00 C ATOM 1172 C SER A 73 2.654 13.122 -1.964 1.00 0.00 C ATOM 1173 O SER A 73 1.540 13.627 -2.107 1.00 0.00 O ATOM 1174 CB SER A 73 4.541 14.587 -1.222 1.00 0.00 C ATOM 1175 OG SER A 73 5.617 13.984 -1.929 1.00 0.00 O ATOM 0 H SER A 73 5.293 12.494 -0.374 1.00 0.00 H new ATOM 0 HA SER A 73 2.852 13.914 -0.031 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.051 15.327 -1.855 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.922 15.117 -0.349 1.00 0.00 H new ATOM 0 HG SER A 73 6.255 14.675 -2.204 1.00 0.00 H new ATOM 1181 N GLU A 74 3.133 12.209 -2.807 1.00 0.00 N ATOM 1182 CA GLU A 74 2.337 11.592 -3.854 1.00 0.00 C ATOM 1183 C GLU A 74 1.158 10.876 -3.198 1.00 0.00 C ATOM 1184 O GLU A 74 0.018 11.086 -3.596 1.00 0.00 O ATOM 1185 CB GLU A 74 3.199 10.699 -4.754 1.00 0.00 C ATOM 1186 CG GLU A 74 4.069 11.564 -5.686 1.00 0.00 C ATOM 1187 CD GLU A 74 4.629 10.791 -6.880 1.00 0.00 C ATOM 1188 OE1 GLU A 74 5.559 9.969 -6.707 1.00 0.00 O ATOM 1189 OE2 GLU A 74 4.146 11.029 -8.013 1.00 0.00 O ATOM 0 H GLU A 74 4.097 11.876 -2.778 1.00 0.00 H new ATOM 0 HA GLU A 74 1.931 12.344 -4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.834 10.059 -4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.561 10.043 -5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.476 12.403 -6.051 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.896 11.984 -5.114 1.00 0.00 H new ATOM 1196 N PHE A 75 1.389 10.124 -2.120 1.00 0.00 N ATOM 1197 CA PHE A 75 0.296 9.524 -1.367 1.00 0.00 C ATOM 1198 C PHE A 75 -0.685 10.583 -0.822 1.00 0.00 C ATOM 1199 O PHE A 75 -1.868 10.280 -0.735 1.00 0.00 O ATOM 1200 CB PHE A 75 0.876 8.647 -0.248 1.00 0.00 C ATOM 1201 CG PHE A 75 -0.074 8.231 0.862 1.00 0.00 C ATOM 1202 CD1 PHE A 75 -1.230 7.476 0.585 1.00 0.00 C ATOM 1203 CD2 PHE A 75 0.215 8.588 2.192 1.00 0.00 C ATOM 1204 CE1 PHE A 75 -2.032 6.995 1.633 1.00 0.00 C ATOM 1205 CE2 PHE A 75 -0.605 8.131 3.240 1.00 0.00 C ATOM 1206 CZ PHE A 75 -1.708 7.308 2.963 1.00 0.00 C ATOM 0 H PHE A 75 2.319 9.919 -1.754 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.290 8.897 -2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.284 7.744 -0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.712 9.182 0.203 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.501 7.266 -0.439 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.068 9.214 2.409 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.897 6.385 1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.386 8.414 4.259 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.307 6.916 3.772 1.00 0.00 H new ATOM 1216 N ILE A 76 -0.263 11.812 -0.491 1.00 0.00 N ATOM 1217 CA ILE A 76 -1.197 12.848 -0.033 1.00 0.00 C ATOM 1218 C ILE A 76 -2.154 13.260 -1.153 1.00 0.00 C ATOM 1219 O ILE A 76 -3.339 13.447 -0.876 1.00 0.00 O ATOM 1220 CB ILE A 76 -0.460 14.068 0.582 1.00 0.00 C ATOM 1221 CG1 ILE A 76 0.434 13.681 1.779 1.00 0.00 C ATOM 1222 CG2 ILE A 76 -1.463 15.145 1.048 1.00 0.00 C ATOM 1223 CD1 ILE A 76 -0.196 12.710 2.788 1.00 0.00 C ATOM 0 H ILE A 76 0.712 12.110 -0.532 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.797 12.416 0.768 1.00 0.00 H new ATOM 0 HB ILE A 76 0.175 14.463 -0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.351 13.234 1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.719 14.591 2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.920 15.988 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.052 15.486 0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.127 14.722 1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.515 12.504 3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.097 13.157 3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.454 11.779 2.284 1.00 0.00 H new ATOM 1235 N ASP A 77 -1.669 13.393 -2.391 1.00 0.00 N ATOM 1236 CA ASP A 77 -2.511 13.657 -3.567 1.00 0.00 C ATOM 1237 C ASP A 77 -3.509 12.526 -3.761 1.00 0.00 C ATOM 1238 O ASP A 77 -4.688 12.753 -4.045 1.00 0.00 O ATOM 1239 CB ASP A 77 -1.635 13.793 -4.814 1.00 0.00 C ATOM 1240 CG ASP A 77 -2.428 13.904 -6.122 1.00 0.00 C ATOM 1241 OD1 ASP A 77 -2.853 12.870 -6.681 1.00 0.00 O ATOM 1242 OD2 ASP A 77 -2.491 15.024 -6.683 1.00 0.00 O ATOM 0 H ASP A 77 -0.675 13.320 -2.609 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.056 14.587 -3.408 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.003 14.675 -4.708 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.971 12.931 -4.875 1.00 0.00 H new ATOM 1247 N LEU A 78 -3.042 11.298 -3.537 1.00 0.00 N ATOM 1248 CA LEU A 78 -3.849 10.111 -3.591 1.00 0.00 C ATOM 1249 C LEU A 78 -4.962 10.063 -2.522 1.00 0.00 C ATOM 1250 O LEU A 78 -5.774 9.142 -2.575 1.00 0.00 O ATOM 1251 CB LEU A 78 -2.922 8.886 -3.500 1.00 0.00 C ATOM 1252 CG LEU A 78 -2.268 8.448 -4.816 1.00 0.00 C ATOM 1253 CD1 LEU A 78 -1.504 9.442 -5.700 1.00 0.00 C ATOM 1254 CD2 LEU A 78 -1.345 7.254 -4.565 1.00 0.00 C ATOM 0 H LEU A 78 -2.065 11.112 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.383 10.112 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.134 9.102 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.496 8.048 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.161 8.245 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.122 8.926 -6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.175 10.243 -6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.671 9.864 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.883 6.947 -5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.569 7.537 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.925 6.425 -4.158 1.00 0.00 H new ATOM 1266 N LEU A 79 -5.027 11.014 -1.577 1.00 0.00 N ATOM 1267 CA LEU A 79 -6.096 11.160 -0.584 1.00 0.00 C ATOM 1268 C LEU A 79 -7.023 12.279 -1.036 1.00 0.00 C ATOM 1269 O LEU A 79 -7.846 12.064 -1.925 1.00 0.00 O ATOM 1270 CB LEU A 79 -5.530 11.329 0.840 1.00 0.00 C ATOM 1271 CG LEU A 79 -4.653 10.159 1.316 1.00 0.00 C ATOM 1272 CD1 LEU A 79 -4.302 10.360 2.791 1.00 0.00 C ATOM 1273 CD2 LEU A 79 -5.311 8.794 1.091 1.00 0.00 C ATOM 0 H LEU A 79 -4.306 11.729 -1.482 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.691 10.249 -0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.943 12.247 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.360 11.452 1.536 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.743 10.158 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.680 9.533 3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.758 11.297 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.218 10.394 3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.646 8.007 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.252 8.749 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.504 8.654 0.027 1.00 0.00 H new ATOM 1285 N GLU A 80 -6.857 13.477 -0.475 1.00 0.00 N ATOM 1286 CA GLU A 80 -7.512 14.712 -0.891 1.00 0.00 C ATOM 1287 C GLU A 80 -9.040 14.699 -0.760 1.00 0.00 C ATOM 1288 O GLU A 80 -9.739 15.514 -1.371 1.00 0.00 O ATOM 1289 CB GLU A 80 -6.994 15.120 -2.285 1.00 0.00 C ATOM 1290 CG GLU A 80 -5.606 15.742 -2.146 1.00 0.00 C ATOM 1291 CD GLU A 80 -5.701 17.085 -1.416 1.00 0.00 C ATOM 1292 OE1 GLU A 80 -6.474 17.968 -1.863 1.00 0.00 O ATOM 1293 OE2 GLU A 80 -5.117 17.220 -0.321 1.00 0.00 O ATOM 0 H GLU A 80 -6.232 13.617 0.319 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.232 15.494 -0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.951 14.249 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.679 15.831 -2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.950 15.067 -1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.163 15.886 -3.132 1.00 0.00 H new ATOM 1300 N GLY A 81 -9.579 13.847 0.106 1.00 0.00 N ATOM 1301 CA GLY A 81 -10.995 13.778 0.429 1.00 0.00 C ATOM 1302 C GLY A 81 -11.390 12.346 0.744 1.00 0.00 C ATOM 1303 O GLY A 81 -12.481 11.925 0.360 1.00 0.00 O ATOM 0 H GLY A 81 -9.021 13.164 0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.213 14.420 1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.585 14.150 -0.408 1.00 0.00 H new ATOM 1307 N GLU A 82 -10.510 11.569 1.379 1.00 0.00 N ATOM 1308 CA GLU A 82 -10.615 10.136 1.445 1.00 0.00 C ATOM 1309 C GLU A 82 -10.257 9.662 2.840 1.00 0.00 C ATOM 1310 O GLU A 82 -9.186 9.974 3.360 1.00 0.00 O ATOM 1311 CB GLU A 82 -9.636 9.524 0.443 1.00 0.00 C ATOM 1312 CG GLU A 82 -10.062 9.651 -1.029 1.00 0.00 C ATOM 1313 CD GLU A 82 -11.247 8.754 -1.409 1.00 0.00 C ATOM 1314 OE1 GLU A 82 -12.081 8.405 -0.546 1.00 0.00 O ATOM 1315 OE2 GLU A 82 -11.348 8.344 -2.584 1.00 0.00 O ATOM 0 H GLU A 82 -9.694 11.939 1.866 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.635 9.832 1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.664 10.000 0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.507 8.468 0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.324 10.689 -1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.213 9.405 -1.666 1.00 0.00 H new ATOM 1322 N GLU A 83 -11.142 8.863 3.432 1.00 0.00 N ATOM 1323 CA GLU A 83 -10.918 8.230 4.718 1.00 0.00 C ATOM 1324 C GLU A 83 -11.524 6.841 4.710 1.00 0.00 C ATOM 1325 O GLU A 83 -12.467 6.523 5.436 1.00 0.00 O ATOM 1326 CB GLU A 83 -11.480 9.107 5.836 1.00 0.00 C ATOM 1327 CG GLU A 83 -10.480 10.133 6.342 1.00 0.00 C ATOM 1328 CD GLU A 83 -11.046 10.825 7.578 1.00 0.00 C ATOM 1329 OE1 GLU A 83 -11.989 11.636 7.442 1.00 0.00 O ATOM 1330 OE2 GLU A 83 -10.580 10.551 8.711 1.00 0.00 O ATOM 0 H GLU A 83 -12.048 8.637 3.020 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.849 8.121 4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.370 9.622 5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.794 8.473 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.535 9.647 6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.271 10.867 5.564 1.00 0.00 H new ATOM 1337 N LYS A 84 -10.990 5.997 3.831 1.00 0.00 N ATOM 1338 CA LYS A 84 -11.442 4.614 3.754 1.00 0.00 C ATOM 1339 C LYS A 84 -10.399 3.702 3.119 1.00 0.00 C ATOM 1340 O LYS A 84 -10.794 2.680 2.558 1.00 0.00 O ATOM 1341 CB LYS A 84 -12.739 4.648 2.901 1.00 0.00 C ATOM 1342 CG LYS A 84 -12.471 5.194 1.481 1.00 0.00 C ATOM 1343 CD LYS A 84 -13.684 5.806 0.793 1.00 0.00 C ATOM 1344 CE LYS A 84 -13.998 7.146 1.470 1.00 0.00 C ATOM 1345 NZ LYS A 84 -14.528 8.137 0.520 1.00 0.00 N ATOM 0 H LYS A 84 -10.253 6.244 3.170 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.616 4.207 4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.157 3.644 2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.485 5.270 3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.685 5.947 1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.090 4.383 0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.484 5.955 -0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.540 5.135 0.865 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.723 6.987 2.269 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.093 7.538 1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.868 8.970 1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.776 8.423 -0.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.316 7.719 -0.015 1.00 0.00 H new ATOM 1359 N PHE A 85 -9.098 3.939 3.356 1.00 0.00 N ATOM 1360 CA PHE A 85 -8.024 3.037 2.933 1.00 0.00 C ATOM 1361 C PHE A 85 -6.626 3.479 3.343 1.00 0.00 C ATOM 1362 O PHE A 85 -5.631 3.129 2.701 1.00 0.00 O ATOM 1363 CB PHE A 85 -8.011 3.010 1.392 1.00 0.00 C ATOM 1364 CG PHE A 85 -7.779 4.346 0.704 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -8.859 5.213 0.474 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -6.503 4.694 0.218 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -8.694 6.327 -0.352 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -6.316 5.886 -0.500 1.00 0.00 C ATOM 1369 CZ PHE A 85 -7.420 6.697 -0.805 1.00 0.00 C ATOM 0 H PHE A 85 -8.764 4.767 3.849 1.00 0.00 H new ATOM 0 HA PHE A 85 -8.233 2.079 3.409 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.235 2.317 1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -8.963 2.607 1.047 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -9.816 5.019 0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.663 4.039 0.399 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.556 6.909 -0.644 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.326 6.178 -0.817 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.289 7.599 -1.384 1.00 0.00 H new ATOM 1379 N ILE A 86 -6.494 4.078 4.508 1.00 0.00 N ATOM 1380 CA ILE A 86 -5.365 4.963 4.710 1.00 0.00 C ATOM 1381 C ILE A 86 -4.286 4.211 5.497 1.00 0.00 C ATOM 1382 O ILE A 86 -4.360 2.998 5.690 1.00 0.00 O ATOM 1383 CB ILE A 86 -5.854 6.300 5.324 1.00 0.00 C ATOM 1384 CG1 ILE A 86 -7.315 6.708 4.959 1.00 0.00 C ATOM 1385 CG2 ILE A 86 -4.949 7.438 4.852 1.00 0.00 C ATOM 1386 CD1 ILE A 86 -7.562 7.056 3.475 1.00 0.00 C ATOM 0 H ILE A 86 -7.127 3.976 5.302 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.890 5.254 3.773 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.821 6.135 6.401 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.981 5.891 5.237 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.595 7.569 5.566 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.292 8.378 5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.925 7.245 5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.984 7.503 3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.609 7.325 3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.930 7.896 3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -7.322 6.193 2.854 1.00 0.00 H new ATOM 1398 N GLY A 87 -3.287 4.929 5.974 1.00 0.00 N ATOM 1399 CA GLY A 87 -2.470 4.590 7.110 1.00 0.00 C ATOM 1400 C GLY A 87 -1.420 5.665 7.191 1.00 0.00 C ATOM 1401 O GLY A 87 -1.685 6.786 6.694 1.00 0.00 O ATOM 0 H GLY A 87 -3.013 5.815 5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.064 4.554 8.023 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.015 3.607 6.986 1.00 0.00 H new TER 1405 GLY A 87