USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 304 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 NoAdj-H: A 29 HIS HE2 : A 29 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 45:sc= 1.04 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= -0.183 (180deg=-0.183) USER MOD Single : A 11 TYR OH : rot 180:sc=-0.00843 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 168:sc=-0.00267 (180deg=-0.135) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0432 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -140:sc= -0.217 (180deg=-2.18) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 10:sc= 1.06 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.551 -1.996 0.102 1.00 0.00 N ATOM 2 CA GLY A 1 -13.131 -0.631 -0.151 1.00 0.00 C ATOM 3 C GLY A 1 -14.265 0.242 -0.650 1.00 0.00 C ATOM 4 O GLY A 1 -15.015 -0.153 -1.543 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.740 -2.552 0.441 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.300 -2.001 0.824 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.915 -2.416 -0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.724 -0.204 0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.327 -0.632 -0.887 1.00 0.00 H new ATOM 8 N SER A 2 -14.393 1.432 -0.072 1.00 0.00 N ATOM 9 CA SER A 2 -15.448 2.361 -0.460 1.00 0.00 C ATOM 10 C SER A 2 -14.913 3.421 -1.418 1.00 0.00 C ATOM 11 O SER A 2 -13.791 3.904 -1.263 1.00 0.00 O ATOM 12 CB SER A 2 -16.046 3.031 0.779 1.00 0.00 C ATOM 13 OG SER A 2 -16.907 4.097 0.416 1.00 0.00 O ATOM 0 H SER A 2 -13.779 1.776 0.667 1.00 0.00 H new ATOM 0 HA SER A 2 -16.227 1.796 -0.971 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.599 2.295 1.363 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.245 3.407 1.416 1.00 0.00 H new ATOM 0 HG SER A 2 -17.278 4.508 1.225 1.00 0.00 H new ATOM 19 N SER A 3 -15.725 3.779 -2.407 1.00 0.00 N ATOM 20 CA SER A 3 -15.333 4.779 -3.394 1.00 0.00 C ATOM 21 C SER A 3 -15.473 6.187 -2.824 1.00 0.00 C ATOM 22 O SER A 3 -16.501 6.841 -2.999 1.00 0.00 O ATOM 23 CB SER A 3 -16.185 4.641 -4.657 1.00 0.00 C ATOM 24 OG SER A 3 -17.554 4.878 -4.378 1.00 0.00 O ATOM 0 H SER A 3 -16.658 3.392 -2.547 1.00 0.00 H new ATOM 0 HA SER A 3 -14.287 4.611 -3.650 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.837 5.346 -5.412 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.064 3.641 -5.074 1.00 0.00 H new ATOM 0 HG SER A 3 -17.640 5.677 -3.816 1.00 0.00 H new ATOM 30 N GLY A 4 -14.430 6.649 -2.140 1.00 0.00 N ATOM 31 CA GLY A 4 -14.456 7.976 -1.555 1.00 0.00 C ATOM 32 C GLY A 4 -13.301 8.212 -0.602 1.00 0.00 C ATOM 33 O GLY A 4 -13.509 8.506 0.576 1.00 0.00 O ATOM 0 H GLY A 4 -13.568 6.127 -1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.425 8.721 -2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.397 8.117 -1.023 1.00 0.00 H new ATOM 37 N SER A 5 -12.080 8.082 -1.111 1.00 0.00 N ATOM 38 CA SER A 5 -10.887 8.278 -0.295 1.00 0.00 C ATOM 39 C SER A 5 -9.971 9.329 -0.915 1.00 0.00 C ATOM 40 O SER A 5 -10.145 9.715 -2.071 1.00 0.00 O ATOM 41 CB SER A 5 -10.132 6.957 -0.134 1.00 0.00 C ATOM 42 OG SER A 5 -10.907 6.009 0.579 1.00 0.00 O ATOM 0 H SER A 5 -11.891 7.842 -2.084 1.00 0.00 H new ATOM 0 HA SER A 5 -11.202 8.631 0.687 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.878 6.558 -1.116 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.193 7.133 0.392 1.00 0.00 H new ATOM 0 HG SER A 5 -10.402 5.173 0.667 1.00 0.00 H new ATOM 48 N SER A 6 -8.995 9.786 -0.138 1.00 0.00 N ATOM 49 CA SER A 6 -8.053 10.795 -0.608 1.00 0.00 C ATOM 50 C SER A 6 -6.956 10.160 -1.457 1.00 0.00 C ATOM 51 O SER A 6 -6.099 9.440 -0.946 1.00 0.00 O ATOM 52 CB SER A 6 -7.432 11.536 0.577 1.00 0.00 C ATOM 53 OG SER A 6 -6.943 12.807 0.185 1.00 0.00 O ATOM 0 H SER A 6 -8.836 9.474 0.820 1.00 0.00 H new ATOM 0 HA SER A 6 -8.600 11.507 -1.225 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.176 11.656 1.365 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.618 10.943 0.995 1.00 0.00 H new ATOM 0 HG SER A 6 -6.553 13.261 0.961 1.00 0.00 H new ATOM 59 N GLY A 7 -6.989 10.434 -2.758 1.00 0.00 N ATOM 60 CA GLY A 7 -5.993 9.882 -3.657 1.00 0.00 C ATOM 61 C GLY A 7 -5.007 10.927 -4.142 1.00 0.00 C ATOM 62 O GLY A 7 -4.935 11.215 -5.337 1.00 0.00 O ATOM 0 H GLY A 7 -7.687 11.028 -3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.451 9.084 -3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.492 9.432 -4.515 1.00 0.00 H new ATOM 66 N VAL A 8 -4.247 11.497 -3.213 1.00 0.00 N ATOM 67 CA VAL A 8 -3.261 12.517 -3.552 1.00 0.00 C ATOM 68 C VAL A 8 -1.946 11.884 -3.996 1.00 0.00 C ATOM 69 O VAL A 8 -1.123 12.528 -4.646 1.00 0.00 O ATOM 70 CB VAL A 8 -2.990 13.454 -2.360 1.00 0.00 C ATOM 71 CG1 VAL A 8 -4.260 14.189 -1.960 1.00 0.00 C ATOM 72 CG2 VAL A 8 -2.425 12.671 -1.185 1.00 0.00 C ATOM 0 H VAL A 8 -4.295 11.270 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.677 13.099 -4.374 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.250 14.195 -2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.050 14.846 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.618 14.782 -2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.024 13.466 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.239 13.349 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.140 11.907 -0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.490 12.195 -1.481 1.00 0.00 H new ATOM 82 N LYS A 9 -1.756 10.618 -3.641 1.00 0.00 N ATOM 83 CA LYS A 9 -0.543 9.896 -4.003 1.00 0.00 C ATOM 84 C LYS A 9 -0.465 9.684 -5.512 1.00 0.00 C ATOM 85 O LYS A 9 -1.478 9.521 -6.193 1.00 0.00 O ATOM 86 CB LYS A 9 -0.495 8.545 -3.285 1.00 0.00 C ATOM 87 CG LYS A 9 -0.229 8.657 -1.794 1.00 0.00 C ATOM 88 CD LYS A 9 -1.521 8.781 -1.005 1.00 0.00 C ATOM 89 CE LYS A 9 -1.283 8.602 0.487 1.00 0.00 C ATOM 90 NZ LYS A 9 -1.170 7.166 0.862 1.00 0.00 N ATOM 0 H LYS A 9 -2.427 10.071 -3.102 1.00 0.00 H new ATOM 0 HA LYS A 9 0.313 10.496 -3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.442 8.028 -3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.282 7.929 -3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.323 7.780 -1.455 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.401 9.525 -1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.968 9.758 -1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.234 8.034 -1.353 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.371 9.125 0.775 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.102 9.059 1.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.008 7.086 1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.050 6.671 0.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.373 6.735 0.351 1.00 0.00 H new ATOM 104 N PRO A 10 0.764 9.686 -6.048 1.00 0.00 N ATOM 105 CA PRO A 10 1.003 9.494 -7.482 1.00 0.00 C ATOM 106 C PRO A 10 0.701 8.069 -7.934 1.00 0.00 C ATOM 107 O PRO A 10 0.475 7.818 -9.118 1.00 0.00 O ATOM 108 CB PRO A 10 2.495 9.800 -7.637 1.00 0.00 C ATOM 109 CG PRO A 10 3.081 9.519 -6.297 1.00 0.00 C ATOM 110 CD PRO A 10 2.016 9.875 -5.296 1.00 0.00 C ATOM 0 HA PRO A 10 0.359 10.128 -8.091 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.949 9.176 -8.406 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.658 10.837 -7.931 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.366 8.471 -6.208 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.983 10.109 -6.134 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.058 9.231 -4.418 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.122 10.901 -4.944 1.00 0.00 H new ATOM 118 N TYR A 11 0.699 7.141 -6.984 1.00 0.00 N ATOM 119 CA TYR A 11 0.426 5.740 -7.286 1.00 0.00 C ATOM 120 C TYR A 11 -0.559 5.149 -6.283 1.00 0.00 C ATOM 121 O TYR A 11 -0.320 5.164 -5.076 1.00 0.00 O ATOM 122 CB TYR A 11 1.726 4.933 -7.277 1.00 0.00 C ATOM 123 CG TYR A 11 2.870 5.620 -7.987 1.00 0.00 C ATOM 124 CD1 TYR A 11 3.004 5.541 -9.368 1.00 0.00 C ATOM 125 CD2 TYR A 11 3.818 6.347 -7.278 1.00 0.00 C ATOM 126 CE1 TYR A 11 4.048 6.167 -10.022 1.00 0.00 C ATOM 127 CE2 TYR A 11 4.865 6.977 -7.923 1.00 0.00 C ATOM 128 CZ TYR A 11 4.975 6.884 -9.295 1.00 0.00 C ATOM 129 OH TYR A 11 6.017 7.509 -9.941 1.00 0.00 O ATOM 0 H TYR A 11 0.883 7.333 -5.999 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.020 5.688 -8.279 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.015 4.738 -6.244 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.547 3.966 -7.746 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.279 4.981 -9.940 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.735 6.421 -6.204 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.137 6.095 -11.096 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.593 7.539 -7.356 1.00 0.00 H new ATOM 0 HH TYR A 11 6.579 7.971 -9.284 1.00 0.00 H new ATOM 139 N GLY A 12 -1.671 4.626 -6.793 1.00 0.00 N ATOM 140 CA GLY A 12 -2.677 4.036 -5.929 1.00 0.00 C ATOM 141 C GLY A 12 -3.284 2.779 -6.521 1.00 0.00 C ATOM 142 O GLY A 12 -3.937 2.828 -7.564 1.00 0.00 O ATOM 0 H GLY A 12 -1.893 4.601 -7.788 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.229 3.800 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.466 4.765 -5.745 1.00 0.00 H new ATOM 146 N CYS A 13 -3.067 1.650 -5.856 1.00 0.00 N ATOM 147 CA CYS A 13 -3.596 0.374 -6.323 1.00 0.00 C ATOM 148 C CYS A 13 -5.108 0.308 -6.130 1.00 0.00 C ATOM 149 O CYS A 13 -5.595 0.157 -5.009 1.00 0.00 O ATOM 150 CB CYS A 13 -2.924 -0.783 -5.580 1.00 0.00 C ATOM 151 SG CYS A 13 -3.329 -2.430 -6.245 1.00 0.00 S ATOM 0 H CYS A 13 -2.528 1.592 -4.992 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.380 0.287 -7.388 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.843 -0.644 -5.615 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.216 -0.745 -4.531 1.00 0.00 H new ATOM 156 N SER A 14 -5.845 0.421 -7.230 1.00 0.00 N ATOM 157 CA SER A 14 -7.302 0.378 -7.181 1.00 0.00 C ATOM 158 C SER A 14 -7.795 -1.044 -6.928 1.00 0.00 C ATOM 159 O SER A 14 -8.798 -1.251 -6.245 1.00 0.00 O ATOM 160 CB SER A 14 -7.893 0.909 -8.489 1.00 0.00 C ATOM 161 OG SER A 14 -7.534 2.264 -8.697 1.00 0.00 O ATOM 0 H SER A 14 -5.458 0.543 -8.166 1.00 0.00 H new ATOM 0 HA SER A 14 -7.632 1.011 -6.357 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.540 0.304 -9.324 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.979 0.817 -8.465 1.00 0.00 H new ATOM 0 HG SER A 14 -7.922 2.580 -9.540 1.00 0.00 H new ATOM 167 N GLU A 15 -7.083 -2.019 -7.483 1.00 0.00 N ATOM 168 CA GLU A 15 -7.448 -3.420 -7.318 1.00 0.00 C ATOM 169 C GLU A 15 -7.828 -3.717 -5.870 1.00 0.00 C ATOM 170 O GLU A 15 -8.960 -4.104 -5.580 1.00 0.00 O ATOM 171 CB GLU A 15 -6.293 -4.326 -7.750 1.00 0.00 C ATOM 172 CG GLU A 15 -6.331 -4.701 -9.222 1.00 0.00 C ATOM 173 CD GLU A 15 -6.036 -3.523 -10.131 1.00 0.00 C ATOM 174 OE1 GLU A 15 -4.870 -3.078 -10.167 1.00 0.00 O ATOM 175 OE2 GLU A 15 -6.972 -3.048 -10.808 1.00 0.00 O ATOM 0 H GLU A 15 -6.250 -1.864 -8.051 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.313 -3.620 -7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.349 -3.824 -7.536 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.313 -5.237 -7.151 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.605 -5.492 -9.411 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.313 -5.106 -9.465 1.00 0.00 H new ATOM 182 N CYS A 16 -6.872 -3.533 -4.965 1.00 0.00 N ATOM 183 CA CYS A 16 -7.104 -3.780 -3.547 1.00 0.00 C ATOM 184 C CYS A 16 -7.427 -2.482 -2.814 1.00 0.00 C ATOM 185 O CYS A 16 -8.325 -2.438 -1.974 1.00 0.00 O ATOM 186 CB CYS A 16 -5.877 -4.443 -2.917 1.00 0.00 C ATOM 187 SG CYS A 16 -4.403 -3.375 -2.857 1.00 0.00 S ATOM 0 H CYS A 16 -5.929 -3.214 -5.189 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.959 -4.450 -3.455 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.127 -4.756 -1.903 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -5.636 -5.345 -3.479 1.00 0.00 H new ATOM 192 N GLY A 17 -6.687 -1.426 -3.138 1.00 0.00 N ATOM 193 CA GLY A 17 -6.910 -0.141 -2.501 1.00 0.00 C ATOM 194 C GLY A 17 -5.749 0.280 -1.622 1.00 0.00 C ATOM 195 O GLY A 17 -5.905 0.447 -0.412 1.00 0.00 O ATOM 0 H GLY A 17 -5.938 -1.437 -3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.075 0.617 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.818 -0.190 -1.900 1.00 0.00 H new ATOM 199 N LYS A 18 -4.580 0.450 -2.229 1.00 0.00 N ATOM 200 CA LYS A 18 -3.386 0.853 -1.495 1.00 0.00 C ATOM 201 C LYS A 18 -2.681 2.010 -2.195 1.00 0.00 C ATOM 202 O LYS A 18 -3.076 2.421 -3.286 1.00 0.00 O ATOM 203 CB LYS A 18 -2.427 -0.331 -1.350 1.00 0.00 C ATOM 204 CG LYS A 18 -2.823 -1.304 -0.254 1.00 0.00 C ATOM 205 CD LYS A 18 -1.613 -2.021 0.319 1.00 0.00 C ATOM 206 CE LYS A 18 -1.910 -2.609 1.690 1.00 0.00 C ATOM 207 NZ LYS A 18 -2.758 -3.830 1.598 1.00 0.00 N ATOM 0 H LYS A 18 -4.433 0.315 -3.229 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.695 1.186 -0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.378 -0.866 -2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.425 0.047 -1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.339 -0.767 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.526 -2.036 -0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.305 -2.816 -0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.778 -1.324 0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.973 -2.854 2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.414 -1.862 2.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.938 -4.200 2.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.662 -3.591 1.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.267 -4.552 1.033 1.00 0.00 H new ATOM 221 N ALA A 19 -1.635 2.530 -1.562 1.00 0.00 N ATOM 222 CA ALA A 19 -0.872 3.636 -2.126 1.00 0.00 C ATOM 223 C ALA A 19 0.617 3.483 -1.835 1.00 0.00 C ATOM 224 O ALA A 19 1.004 2.870 -0.840 1.00 0.00 O ATOM 225 CB ALA A 19 -1.385 4.962 -1.582 1.00 0.00 C ATOM 0 H ALA A 19 -1.296 2.203 -0.657 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.006 3.622 -3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.806 5.780 -2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.435 5.082 -1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.281 4.975 -0.497 1.00 0.00 H new ATOM 231 N PHE A 20 1.447 4.042 -2.709 1.00 0.00 N ATOM 232 CA PHE A 20 2.894 3.966 -2.546 1.00 0.00 C ATOM 233 C PHE A 20 3.559 5.272 -2.970 1.00 0.00 C ATOM 234 O PHE A 20 3.534 5.640 -4.145 1.00 0.00 O ATOM 235 CB PHE A 20 3.460 2.803 -3.363 1.00 0.00 C ATOM 236 CG PHE A 20 2.649 1.543 -3.254 1.00 0.00 C ATOM 237 CD1 PHE A 20 1.514 1.364 -4.029 1.00 0.00 C ATOM 238 CD2 PHE A 20 3.022 0.537 -2.377 1.00 0.00 C ATOM 239 CE1 PHE A 20 0.766 0.206 -3.931 1.00 0.00 C ATOM 240 CE2 PHE A 20 2.278 -0.623 -2.275 1.00 0.00 C ATOM 241 CZ PHE A 20 1.148 -0.788 -3.052 1.00 0.00 C ATOM 0 H PHE A 20 1.142 4.553 -3.538 1.00 0.00 H new ATOM 0 HA PHE A 20 3.107 3.797 -1.490 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.517 3.099 -4.410 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.479 2.600 -3.033 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.210 2.139 -4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.904 0.661 -1.766 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.116 0.079 -4.541 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.580 -1.400 -1.588 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.564 -1.693 -2.972 1.00 0.00 H new ATOM 251 N ARG A 21 4.152 5.968 -2.006 1.00 0.00 N ATOM 252 CA ARG A 21 4.822 7.233 -2.279 1.00 0.00 C ATOM 253 C ARG A 21 5.608 7.162 -3.585 1.00 0.00 C ATOM 254 O ARG A 21 5.609 8.108 -4.372 1.00 0.00 O ATOM 255 CB ARG A 21 5.760 7.597 -1.126 1.00 0.00 C ATOM 256 CG ARG A 21 6.072 9.082 -1.040 1.00 0.00 C ATOM 257 CD ARG A 21 6.825 9.420 0.237 1.00 0.00 C ATOM 258 NE ARG A 21 7.196 10.831 0.297 1.00 0.00 N ATOM 259 CZ ARG A 21 8.134 11.377 -0.468 1.00 0.00 C ATOM 260 NH1 ARG A 21 8.793 10.635 -1.346 1.00 0.00 N ATOM 261 NH2 ARG A 21 8.415 12.669 -0.355 1.00 0.00 N ATOM 0 H ARG A 21 4.182 5.677 -1.029 1.00 0.00 H new ATOM 0 HA ARG A 21 4.059 8.005 -2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.310 7.274 -0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.693 7.044 -1.239 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.666 9.381 -1.904 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.144 9.653 -1.078 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.206 9.171 1.099 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.723 8.806 0.301 1.00 0.00 H new ATOM 0 HE ARG A 21 6.708 11.430 0.963 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.580 9.641 -1.436 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.513 11.057 -1.932 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.910 13.244 0.320 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.136 13.088 -0.943 1.00 0.00 H new ATOM 275 N SER A 22 6.275 6.034 -3.807 1.00 0.00 N ATOM 276 CA SER A 22 7.069 5.841 -5.015 1.00 0.00 C ATOM 277 C SER A 22 6.458 4.757 -5.899 1.00 0.00 C ATOM 278 O SER A 22 5.589 4.001 -5.463 1.00 0.00 O ATOM 279 CB SER A 22 8.507 5.469 -4.652 1.00 0.00 C ATOM 280 OG SER A 22 9.416 5.918 -5.642 1.00 0.00 O ATOM 0 H SER A 22 6.281 5.240 -3.167 1.00 0.00 H new ATOM 0 HA SER A 22 7.074 6.779 -5.571 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.767 5.908 -3.689 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.589 4.388 -4.542 1.00 0.00 H new ATOM 0 HG SER A 22 10.328 5.669 -5.385 1.00 0.00 H new ATOM 286 N LYS A 23 6.919 4.688 -7.143 1.00 0.00 N ATOM 287 CA LYS A 23 6.421 3.697 -8.089 1.00 0.00 C ATOM 288 C LYS A 23 6.937 2.304 -7.741 1.00 0.00 C ATOM 289 O LYS A 23 6.156 1.390 -7.478 1.00 0.00 O ATOM 290 CB LYS A 23 6.840 4.066 -9.514 1.00 0.00 C ATOM 291 CG LYS A 23 6.064 3.324 -10.588 1.00 0.00 C ATOM 292 CD LYS A 23 6.143 4.038 -11.927 1.00 0.00 C ATOM 293 CE LYS A 23 5.319 3.327 -12.988 1.00 0.00 C ATOM 294 NZ LYS A 23 3.859 3.402 -12.700 1.00 0.00 N ATOM 0 H LYS A 23 7.637 5.307 -7.520 1.00 0.00 H new ATOM 0 HA LYS A 23 5.333 3.688 -8.027 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.707 5.138 -9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.903 3.858 -9.636 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.458 2.313 -10.690 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.021 3.230 -10.286 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.788 5.063 -11.815 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.183 4.094 -12.250 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.520 3.772 -13.963 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.625 2.282 -13.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.324 3.090 -13.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.632 2.786 -11.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.600 4.383 -12.470 1.00 0.00 H new ATOM 308 N SER A 24 8.258 2.151 -7.740 1.00 0.00 N ATOM 309 CA SER A 24 8.878 0.869 -7.426 1.00 0.00 C ATOM 310 C SER A 24 8.073 0.121 -6.368 1.00 0.00 C ATOM 311 O SER A 24 7.688 -1.032 -6.565 1.00 0.00 O ATOM 312 CB SER A 24 10.313 1.079 -6.938 1.00 0.00 C ATOM 313 OG SER A 24 10.357 2.006 -5.868 1.00 0.00 O ATOM 0 H SER A 24 8.919 2.898 -7.953 1.00 0.00 H new ATOM 0 HA SER A 24 8.895 0.269 -8.336 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.734 0.127 -6.616 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.931 1.439 -7.761 1.00 0.00 H new ATOM 0 HG SER A 24 11.284 2.121 -5.573 1.00 0.00 H new ATOM 319 N TYR A 25 7.824 0.785 -5.245 1.00 0.00 N ATOM 320 CA TYR A 25 7.067 0.183 -4.153 1.00 0.00 C ATOM 321 C TYR A 25 5.849 -0.567 -4.684 1.00 0.00 C ATOM 322 O TYR A 25 5.599 -1.714 -4.308 1.00 0.00 O ATOM 323 CB TYR A 25 6.625 1.257 -3.158 1.00 0.00 C ATOM 324 CG TYR A 25 7.623 1.503 -2.050 1.00 0.00 C ATOM 325 CD1 TYR A 25 7.565 0.783 -0.863 1.00 0.00 C ATOM 326 CD2 TYR A 25 8.625 2.457 -2.189 1.00 0.00 C ATOM 327 CE1 TYR A 25 8.474 1.005 0.153 1.00 0.00 C ATOM 328 CE2 TYR A 25 9.539 2.684 -1.179 1.00 0.00 C ATOM 329 CZ TYR A 25 9.460 1.956 -0.010 1.00 0.00 C ATOM 330 OH TYR A 25 10.369 2.181 0.999 1.00 0.00 O ATOM 0 H TYR A 25 8.135 1.740 -5.067 1.00 0.00 H new ATOM 0 HA TYR A 25 7.716 -0.529 -3.644 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.454 2.190 -3.695 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.672 0.963 -2.718 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.795 0.037 -0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 25 8.690 3.030 -3.102 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.413 0.437 1.070 1.00 0.00 H new ATOM 0 HE2 TYR A 25 10.312 3.428 -1.304 1.00 0.00 H new ATOM 0 HH TYR A 25 10.997 2.881 0.724 1.00 0.00 H new ATOM 340 N LEU A 26 5.094 0.087 -5.559 1.00 0.00 N ATOM 341 CA LEU A 26 3.902 -0.516 -6.143 1.00 0.00 C ATOM 342 C LEU A 26 4.221 -1.882 -6.744 1.00 0.00 C ATOM 343 O LEU A 26 3.523 -2.863 -6.485 1.00 0.00 O ATOM 344 CB LEU A 26 3.315 0.402 -7.218 1.00 0.00 C ATOM 345 CG LEU A 26 2.104 -0.142 -7.977 1.00 0.00 C ATOM 346 CD1 LEU A 26 0.969 -0.457 -7.016 1.00 0.00 C ATOM 347 CD2 LEU A 26 1.649 0.852 -9.036 1.00 0.00 C ATOM 0 H LEU A 26 5.286 1.036 -5.880 1.00 0.00 H new ATOM 0 HA LEU A 26 3.168 -0.651 -5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.031 1.344 -6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.099 0.630 -7.940 1.00 0.00 H new ATOM 0 HG LEU A 26 2.396 -1.066 -8.476 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.116 -0.843 -7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.299 -1.205 -6.295 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.677 0.451 -6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.786 0.449 -9.567 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.374 1.792 -8.558 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.460 1.028 -9.743 1.00 0.00 H new ATOM 359 N ILE A 27 5.279 -1.937 -7.544 1.00 0.00 N ATOM 360 CA ILE A 27 5.693 -3.183 -8.178 1.00 0.00 C ATOM 361 C ILE A 27 5.772 -4.317 -7.162 1.00 0.00 C ATOM 362 O ILE A 27 5.027 -5.294 -7.248 1.00 0.00 O ATOM 363 CB ILE A 27 7.059 -3.035 -8.873 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.970 -2.015 -10.009 1.00 0.00 C ATOM 365 CG2 ILE A 27 7.535 -4.381 -9.399 1.00 0.00 C ATOM 366 CD1 ILE A 27 8.281 -1.316 -10.297 1.00 0.00 C ATOM 0 H ILE A 27 5.866 -1.134 -7.769 1.00 0.00 H new ATOM 0 HA ILE A 27 4.938 -3.421 -8.927 1.00 0.00 H new ATOM 0 HB ILE A 27 7.784 -2.675 -8.143 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.630 -2.519 -10.914 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.217 -1.268 -9.758 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.502 -4.259 -9.888 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.633 -5.082 -8.570 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.812 -4.767 -10.117 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.144 -0.607 -11.114 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.613 -0.783 -9.406 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.032 -2.054 -10.579 1.00 0.00 H new ATOM 378 N ILE A 28 6.677 -4.180 -6.199 1.00 0.00 N ATOM 379 CA ILE A 28 6.850 -5.191 -5.164 1.00 0.00 C ATOM 380 C ILE A 28 5.505 -5.650 -4.612 1.00 0.00 C ATOM 381 O ILE A 28 5.391 -6.739 -4.048 1.00 0.00 O ATOM 382 CB ILE A 28 7.717 -4.667 -4.004 1.00 0.00 C ATOM 383 CG1 ILE A 28 9.079 -4.204 -4.525 1.00 0.00 C ATOM 384 CG2 ILE A 28 7.887 -5.743 -2.942 1.00 0.00 C ATOM 385 CD1 ILE A 28 9.096 -2.760 -4.973 1.00 0.00 C ATOM 0 H ILE A 28 7.302 -3.378 -6.114 1.00 0.00 H new ATOM 0 HA ILE A 28 7.355 -6.036 -5.631 1.00 0.00 H new ATOM 0 HB ILE A 28 7.214 -3.813 -3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 28 9.824 -4.342 -3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.374 -4.839 -5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.502 -5.358 -2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.909 -6.029 -2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.372 -6.615 -3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.093 -2.501 -5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.375 -2.620 -5.778 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.832 -2.116 -4.134 1.00 0.00 H new ATOM 397 N HIS A 29 4.486 -4.812 -4.779 1.00 0.00 N ATOM 398 CA HIS A 29 3.147 -5.132 -4.299 1.00 0.00 C ATOM 399 C HIS A 29 2.296 -5.724 -5.419 1.00 0.00 C ATOM 400 O HIS A 29 1.423 -6.556 -5.173 1.00 0.00 O ATOM 401 CB HIS A 29 2.471 -3.881 -3.737 1.00 0.00 C ATOM 402 CG HIS A 29 0.980 -3.994 -3.648 1.00 0.00 C ATOM 403 ND1 HIS A 29 0.336 -4.687 -2.645 1.00 0.00 N ATOM 404 CD2 HIS A 29 0.006 -3.495 -4.444 1.00 0.00 C ATOM 405 CE1 HIS A 29 -0.970 -4.611 -2.829 1.00 0.00 C ATOM 406 NE2 HIS A 29 -1.197 -3.893 -3.914 1.00 0.00 N ATOM 0 H HIS A 29 4.563 -3.907 -5.243 1.00 0.00 H new ATOM 0 HA HIS A 29 3.240 -5.873 -3.505 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.871 -3.677 -2.744 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.726 -3.027 -4.365 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.796 -5.181 -1.880 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.148 -2.895 -5.331 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.724 -5.060 -2.199 1.00 0.00 H new ATOM 414 N MET A 30 2.557 -5.289 -6.647 1.00 0.00 N ATOM 415 CA MET A 30 1.815 -5.777 -7.804 1.00 0.00 C ATOM 416 C MET A 30 2.277 -7.178 -8.195 1.00 0.00 C ATOM 417 O MET A 30 1.538 -7.931 -8.828 1.00 0.00 O ATOM 418 CB MET A 30 1.987 -4.822 -8.986 1.00 0.00 C ATOM 419 CG MET A 30 0.983 -3.681 -8.997 1.00 0.00 C ATOM 420 SD MET A 30 -0.532 -4.097 -9.881 1.00 0.00 S ATOM 421 CE MET A 30 -1.629 -2.805 -9.301 1.00 0.00 C ATOM 0 H MET A 30 3.276 -4.600 -6.867 1.00 0.00 H new ATOM 0 HA MET A 30 0.760 -5.824 -7.535 1.00 0.00 H new ATOM 0 HB2 MET A 30 2.995 -4.408 -8.964 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.894 -5.386 -9.914 1.00 0.00 H new ATOM 0 HG2 MET A 30 0.737 -3.409 -7.971 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.439 -2.805 -9.458 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.620 -3.222 -9.123 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.239 -2.386 -8.373 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.696 -2.020 -10.054 1.00 0.00 H new ATOM 431 N ARG A 31 3.504 -7.519 -7.813 1.00 0.00 N ATOM 432 CA ARG A 31 4.064 -8.828 -8.126 1.00 0.00 C ATOM 433 C ARG A 31 3.037 -9.931 -7.885 1.00 0.00 C ATOM 434 O ARG A 31 3.018 -10.942 -8.588 1.00 0.00 O ATOM 435 CB ARG A 31 5.313 -9.087 -7.281 1.00 0.00 C ATOM 436 CG ARG A 31 5.030 -9.196 -5.792 1.00 0.00 C ATOM 437 CD ARG A 31 6.298 -9.478 -5.003 1.00 0.00 C ATOM 438 NE ARG A 31 6.863 -10.786 -5.323 1.00 0.00 N ATOM 439 CZ ARG A 31 7.678 -11.003 -6.349 1.00 0.00 C ATOM 440 NH1 ARG A 31 8.022 -10.004 -7.150 1.00 0.00 N ATOM 441 NH2 ARG A 31 8.151 -12.222 -6.575 1.00 0.00 N ATOM 0 H ARG A 31 4.128 -6.907 -7.287 1.00 0.00 H new ATOM 0 HA ARG A 31 4.339 -8.835 -9.181 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.786 -10.008 -7.621 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.028 -8.281 -7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.578 -8.269 -5.438 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.306 -9.991 -5.615 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.035 -8.703 -5.213 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.080 -9.429 -3.936 1.00 0.00 H new ATOM 0 HE ARG A 31 6.618 -11.576 -4.726 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.661 -9.066 -6.979 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.648 -10.174 -7.937 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.889 -12.993 -5.961 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.777 -12.388 -7.363 1.00 0.00 H new ATOM 455 N THR A 32 2.183 -9.730 -6.886 1.00 0.00 N ATOM 456 CA THR A 32 1.155 -10.706 -6.551 1.00 0.00 C ATOM 457 C THR A 32 -0.116 -10.466 -7.357 1.00 0.00 C ATOM 458 O THR A 32 -0.787 -11.410 -7.774 1.00 0.00 O ATOM 459 CB THR A 32 0.811 -10.668 -5.050 1.00 0.00 C ATOM 460 OG1 THR A 32 0.296 -11.937 -4.632 1.00 0.00 O ATOM 461 CG2 THR A 32 -0.210 -9.579 -4.756 1.00 0.00 C ATOM 0 H THR A 32 2.184 -8.899 -6.295 1.00 0.00 H new ATOM 0 HA THR A 32 1.560 -11.687 -6.799 1.00 0.00 H new ATOM 0 HB THR A 32 1.724 -10.447 -4.497 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.081 -11.904 -3.676 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.437 -9.571 -3.690 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.197 -8.611 -5.047 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.122 -9.774 -5.320 1.00 0.00 H new ATOM 469 N HIS A 33 -0.441 -9.195 -7.576 1.00 0.00 N ATOM 470 CA HIS A 33 -1.632 -8.830 -8.335 1.00 0.00 C ATOM 471 C HIS A 33 -1.546 -9.355 -9.765 1.00 0.00 C ATOM 472 O HIS A 33 -2.548 -9.772 -10.346 1.00 0.00 O ATOM 473 CB HIS A 33 -1.810 -7.312 -8.346 1.00 0.00 C ATOM 474 CG HIS A 33 -2.511 -6.783 -7.133 1.00 0.00 C ATOM 475 ND1 HIS A 33 -3.558 -7.439 -6.522 1.00 0.00 N ATOM 476 CD2 HIS A 33 -2.308 -5.653 -6.415 1.00 0.00 C ATOM 477 CE1 HIS A 33 -3.970 -6.735 -5.482 1.00 0.00 C ATOM 478 NE2 HIS A 33 -3.227 -5.647 -5.396 1.00 0.00 N ATOM 0 H HIS A 33 0.104 -8.401 -7.239 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.496 -9.285 -7.851 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.831 -6.840 -8.424 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.373 -7.027 -9.235 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.953 -8.329 -6.825 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.561 -4.897 -6.608 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.777 -7.004 -4.816 1.00 0.00 H new ATOM 486 N THR A 34 -0.342 -9.330 -10.329 1.00 0.00 N ATOM 487 CA THR A 34 -0.125 -9.800 -11.691 1.00 0.00 C ATOM 488 C THR A 34 0.056 -11.313 -11.728 1.00 0.00 C ATOM 489 O THR A 34 0.955 -11.824 -12.394 1.00 0.00 O ATOM 490 CB THR A 34 1.108 -9.131 -12.327 1.00 0.00 C ATOM 491 OG1 THR A 34 2.276 -9.417 -11.550 1.00 0.00 O ATOM 492 CG2 THR A 34 0.915 -7.625 -12.427 1.00 0.00 C ATOM 0 H THR A 34 0.498 -8.989 -9.862 1.00 0.00 H new ATOM 0 HA THR A 34 -1.012 -9.529 -12.264 1.00 0.00 H new ATOM 0 HB THR A 34 1.234 -9.533 -13.332 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.056 -8.989 -11.962 1.00 0.00 H new ATOM 0 HG21 THR A 34 1.798 -7.174 -12.879 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.042 -7.410 -13.043 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.766 -7.210 -11.430 1.00 0.00 H new ATOM 500 N GLY A 35 -0.805 -12.026 -11.007 1.00 0.00 N ATOM 501 CA GLY A 35 -0.723 -13.474 -10.972 1.00 0.00 C ATOM 502 C GLY A 35 0.613 -13.966 -10.453 1.00 0.00 C ATOM 503 O GLY A 35 1.637 -13.308 -10.634 1.00 0.00 O ATOM 0 H GLY A 35 -1.558 -11.626 -10.447 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.521 -13.865 -10.341 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.888 -13.869 -11.975 1.00 0.00 H new ATOM 507 N GLU A 36 0.603 -15.127 -9.805 1.00 0.00 N ATOM 508 CA GLU A 36 1.825 -15.705 -9.256 1.00 0.00 C ATOM 509 C GLU A 36 2.082 -17.090 -9.841 1.00 0.00 C ATOM 510 O GLU A 36 1.800 -18.107 -9.206 1.00 0.00 O ATOM 511 CB GLU A 36 1.733 -15.792 -7.731 1.00 0.00 C ATOM 512 CG GLU A 36 3.086 -15.845 -7.042 1.00 0.00 C ATOM 513 CD GLU A 36 3.794 -14.504 -7.042 1.00 0.00 C ATOM 514 OE1 GLU A 36 3.290 -13.566 -6.390 1.00 0.00 O ATOM 515 OE2 GLU A 36 4.854 -14.394 -7.694 1.00 0.00 O ATOM 0 H GLU A 36 -0.236 -15.685 -9.647 1.00 0.00 H new ATOM 0 HA GLU A 36 2.658 -15.056 -9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.179 -14.930 -7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.162 -16.680 -7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.953 -16.181 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.714 -16.583 -7.540 1.00 0.00 H new ATOM 522 N LYS A 37 2.618 -17.123 -11.056 1.00 0.00 N ATOM 523 CA LYS A 37 2.915 -18.382 -11.728 1.00 0.00 C ATOM 524 C LYS A 37 4.171 -19.025 -11.150 1.00 0.00 C ATOM 525 O LYS A 37 5.130 -18.347 -10.779 1.00 0.00 O ATOM 526 CB LYS A 37 3.092 -18.152 -13.231 1.00 0.00 C ATOM 527 CG LYS A 37 4.360 -17.394 -13.585 1.00 0.00 C ATOM 528 CD LYS A 37 4.223 -16.668 -14.913 1.00 0.00 C ATOM 529 CE LYS A 37 5.295 -15.602 -15.078 1.00 0.00 C ATOM 530 NZ LYS A 37 4.843 -14.494 -15.965 1.00 0.00 N ATOM 0 H LYS A 37 2.856 -16.291 -11.596 1.00 0.00 H new ATOM 0 HA LYS A 37 2.075 -19.058 -11.566 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.101 -19.116 -13.739 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.231 -17.601 -13.610 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.587 -16.675 -12.798 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.199 -18.089 -13.634 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.293 -17.386 -15.730 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.237 -16.207 -14.977 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.560 -15.199 -14.100 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.196 -16.054 -15.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.601 -13.788 -16.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.614 -14.874 -16.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.998 -14.046 -15.557 1.00 0.00 H new ATOM 544 N PRO A 38 4.170 -20.364 -11.072 1.00 0.00 N ATOM 545 CA PRO A 38 5.304 -21.127 -10.542 1.00 0.00 C ATOM 546 C PRO A 38 6.515 -21.085 -11.468 1.00 0.00 C ATOM 547 O PRO A 38 6.480 -20.450 -12.522 1.00 0.00 O ATOM 548 CB PRO A 38 4.756 -22.553 -10.443 1.00 0.00 C ATOM 549 CG PRO A 38 3.667 -22.612 -11.458 1.00 0.00 C ATOM 550 CD PRO A 38 3.062 -21.236 -11.496 1.00 0.00 C ATOM 0 HA PRO A 38 5.658 -20.724 -9.593 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.531 -23.290 -10.651 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.377 -22.763 -9.443 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.059 -22.893 -12.435 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.921 -23.359 -11.187 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.709 -20.980 -12.495 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.207 -21.154 -10.825 1.00 0.00 H new ATOM 558 N SER A 39 7.584 -21.765 -11.067 1.00 0.00 N ATOM 559 CA SER A 39 8.808 -21.801 -11.860 1.00 0.00 C ATOM 560 C SER A 39 9.462 -23.177 -11.784 1.00 0.00 C ATOM 561 O SER A 39 10.034 -23.550 -10.761 1.00 0.00 O ATOM 562 CB SER A 39 9.787 -20.731 -11.374 1.00 0.00 C ATOM 563 OG SER A 39 10.354 -21.087 -10.126 1.00 0.00 O ATOM 0 H SER A 39 7.628 -22.298 -10.199 1.00 0.00 H new ATOM 0 HA SER A 39 8.546 -21.598 -12.898 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.578 -20.596 -12.111 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.270 -19.776 -11.283 1.00 0.00 H new ATOM 0 HG SER A 39 10.124 -22.016 -9.915 1.00 0.00 H new ATOM 569 N GLY A 40 9.374 -23.929 -12.878 1.00 0.00 N ATOM 570 CA GLY A 40 9.961 -25.255 -12.916 1.00 0.00 C ATOM 571 C GLY A 40 11.317 -25.269 -13.593 1.00 0.00 C ATOM 572 O GLY A 40 11.836 -24.235 -14.013 1.00 0.00 O ATOM 0 H GLY A 40 8.906 -23.643 -13.738 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.062 -25.634 -11.899 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.288 -25.932 -13.443 1.00 0.00 H new ATOM 576 N PRO A 41 11.915 -26.465 -13.704 1.00 0.00 N ATOM 577 CA PRO A 41 13.228 -26.638 -14.333 1.00 0.00 C ATOM 578 C PRO A 41 13.184 -26.411 -15.840 1.00 0.00 C ATOM 579 O PRO A 41 14.217 -26.204 -16.476 1.00 0.00 O ATOM 580 CB PRO A 41 13.581 -28.095 -14.022 1.00 0.00 C ATOM 581 CG PRO A 41 12.267 -28.770 -13.832 1.00 0.00 C ATOM 582 CD PRO A 41 11.355 -27.740 -13.225 1.00 0.00 C ATOM 0 HA PRO A 41 13.957 -25.919 -13.959 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.145 -28.548 -14.837 1.00 0.00 H new ATOM 0 HB3 PRO A 41 14.198 -28.171 -13.127 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.872 -29.129 -14.782 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.365 -29.637 -13.179 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.324 -27.874 -13.551 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.354 -27.795 -12.136 1.00 0.00 H new ATOM 590 N SER A 42 11.981 -26.449 -16.404 1.00 0.00 N ATOM 591 CA SER A 42 11.803 -26.251 -17.838 1.00 0.00 C ATOM 592 C SER A 42 12.491 -24.969 -18.298 1.00 0.00 C ATOM 593 O SER A 42 12.815 -24.814 -19.476 1.00 0.00 O ATOM 594 CB SER A 42 10.314 -26.197 -18.186 1.00 0.00 C ATOM 595 OG SER A 42 9.636 -25.250 -17.379 1.00 0.00 O ATOM 0 H SER A 42 11.116 -26.615 -15.890 1.00 0.00 H new ATOM 0 HA SER A 42 12.259 -27.094 -18.356 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.192 -25.937 -19.238 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.869 -27.182 -18.048 1.00 0.00 H new ATOM 0 HG SER A 42 8.687 -25.233 -17.622 1.00 0.00 H new ATOM 601 N SER A 43 12.710 -24.053 -17.361 1.00 0.00 N ATOM 602 CA SER A 43 13.356 -22.783 -17.669 1.00 0.00 C ATOM 603 C SER A 43 14.839 -22.826 -17.313 1.00 0.00 C ATOM 604 O SER A 43 15.261 -23.605 -16.459 1.00 0.00 O ATOM 605 CB SER A 43 12.672 -21.642 -16.914 1.00 0.00 C ATOM 606 OG SER A 43 13.236 -20.389 -17.262 1.00 0.00 O ATOM 0 H SER A 43 12.449 -24.167 -16.381 1.00 0.00 H new ATOM 0 HA SER A 43 13.263 -22.608 -18.741 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.606 -21.640 -17.140 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.769 -21.802 -15.840 1.00 0.00 H new ATOM 0 HG SER A 43 12.780 -19.676 -16.767 1.00 0.00 H new ATOM 612 N GLY A 44 15.626 -21.983 -17.975 1.00 0.00 N ATOM 613 CA GLY A 44 17.053 -21.940 -17.716 1.00 0.00 C ATOM 614 C GLY A 44 17.536 -20.549 -17.359 1.00 0.00 C ATOM 615 O GLY A 44 16.782 -19.790 -16.753 1.00 0.00 O ATOM 0 H GLY A 44 15.300 -21.329 -18.686 1.00 0.00 H new ATOM 0 HA2 GLY A 44 17.292 -22.624 -16.902 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.590 -22.293 -18.597 1.00 0.00 H new TER 619 GLY A 44 HETATM 620 ZN ZN A 201 -3.030 -3.908 -4.587 1.00 0.00 ZN