USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 270 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 157 HIS HE2 : A 157 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 161 HIS HE2 : A 161 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc=-0.00157 USER MOD Single : A 134 SER OG : rot 180:sc=-0.00527 USER MOD Single : A 137 LYS NZ :NH3+ -155:sc= 0.407 (180deg=0.174) USER MOD Single : A 139 TYR OH : rot 180:sc= -0.528 USER MOD Single : A 140 GLN : amide:sc= -0.0241 K(o=-0.024,f=-0.85) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 180:sc= -0.596 USER MOD Single : A 149 SER OG : rot 65:sc= 0.512 USER MOD Single : A 150 GLN : amide:sc= -1.52 K(o=-1.5,f=-3.5!) USER MOD Single : A 153 SER OG : rot 180:sc= -0.431 USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 164 SER OG : rot 180:sc= 0 USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 129 2.417 22.095 4.778 1.00 0.00 N ATOM 2 CA GLY A 129 1.632 20.889 4.968 1.00 0.00 C ATOM 3 C GLY A 129 0.311 21.160 5.661 1.00 0.00 C ATOM 4 O GLY A 129 -0.382 22.124 5.336 1.00 0.00 O ATOM 0 HA2 GLY A 129 1.442 20.426 3.999 1.00 0.00 H new ATOM 0 HA3 GLY A 129 2.207 20.174 5.556 1.00 0.00 H new ATOM 8 N SER A 130 -0.039 20.307 6.619 1.00 0.00 N ATOM 9 CA SER A 130 -1.288 20.456 7.356 1.00 0.00 C ATOM 10 C SER A 130 -1.143 19.935 8.782 1.00 0.00 C ATOM 11 O SER A 130 -0.280 19.104 9.067 1.00 0.00 O ATOM 12 CB SER A 130 -2.418 19.712 6.642 1.00 0.00 C ATOM 13 OG SER A 130 -2.003 18.419 6.238 1.00 0.00 O ATOM 0 H SER A 130 0.525 19.506 6.903 1.00 0.00 H new ATOM 0 HA SER A 130 -1.531 21.518 7.399 1.00 0.00 H new ATOM 0 HB2 SER A 130 -3.279 19.630 7.305 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.740 20.283 5.771 1.00 0.00 H new ATOM 0 HG SER A 130 -2.744 17.964 5.786 1.00 0.00 H new ATOM 19 N SER A 131 -1.994 20.428 9.676 1.00 0.00 N ATOM 20 CA SER A 131 -1.959 20.016 11.074 1.00 0.00 C ATOM 21 C SER A 131 -3.318 19.485 11.518 1.00 0.00 C ATOM 22 O SER A 131 -4.276 20.243 11.665 1.00 0.00 O ATOM 23 CB SER A 131 -1.542 21.189 11.964 1.00 0.00 C ATOM 24 OG SER A 131 -1.344 20.769 13.302 1.00 0.00 O ATOM 0 H SER A 131 -2.717 21.114 9.457 1.00 0.00 H new ATOM 0 HA SER A 131 -1.225 19.216 11.172 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.624 21.633 11.579 1.00 0.00 H new ATOM 0 HB3 SER A 131 -2.308 21.964 11.932 1.00 0.00 H new ATOM 0 HG SER A 131 -1.077 21.537 13.850 1.00 0.00 H new ATOM 30 N GLY A 132 -3.394 18.174 11.730 1.00 0.00 N ATOM 31 CA GLY A 132 -4.639 17.562 12.155 1.00 0.00 C ATOM 32 C GLY A 132 -5.716 17.640 11.091 1.00 0.00 C ATOM 33 O GLY A 132 -6.602 18.491 11.157 1.00 0.00 O ATOM 0 H GLY A 132 -2.615 17.525 11.615 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -4.459 16.518 12.409 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -4.992 18.054 13.061 1.00 0.00 H new ATOM 37 N SER A 133 -5.638 16.750 10.107 1.00 0.00 N ATOM 38 CA SER A 133 -6.611 16.725 9.021 1.00 0.00 C ATOM 39 C SER A 133 -6.608 15.369 8.320 1.00 0.00 C ATOM 40 O SER A 133 -6.810 15.284 7.109 1.00 0.00 O ATOM 41 CB SER A 133 -6.308 17.834 8.011 1.00 0.00 C ATOM 42 OG SER A 133 -5.159 17.524 7.243 1.00 0.00 O ATOM 0 H SER A 133 -4.912 16.037 10.039 1.00 0.00 H new ATOM 0 HA SER A 133 -7.600 16.892 9.448 1.00 0.00 H new ATOM 0 HB2 SER A 133 -7.164 17.973 7.351 1.00 0.00 H new ATOM 0 HB3 SER A 133 -6.155 18.777 8.536 1.00 0.00 H new ATOM 0 HG SER A 133 -4.988 18.247 6.604 1.00 0.00 H new ATOM 48 N SER A 134 -6.378 14.312 9.092 1.00 0.00 N ATOM 49 CA SER A 134 -6.345 12.960 8.547 1.00 0.00 C ATOM 50 C SER A 134 -7.405 12.082 9.205 1.00 0.00 C ATOM 51 O SER A 134 -7.516 12.036 10.429 1.00 0.00 O ATOM 52 CB SER A 134 -4.960 12.341 8.744 1.00 0.00 C ATOM 53 OG SER A 134 -4.965 11.409 9.811 1.00 0.00 O ATOM 0 H SER A 134 -6.212 14.366 10.097 1.00 0.00 H new ATOM 0 HA SER A 134 -6.560 13.020 7.480 1.00 0.00 H new ATOM 0 HB2 SER A 134 -4.646 11.845 7.826 1.00 0.00 H new ATOM 0 HB3 SER A 134 -4.233 13.127 8.947 1.00 0.00 H new ATOM 0 HG SER A 134 -4.069 11.027 9.916 1.00 0.00 H new ATOM 59 N GLY A 135 -8.183 11.386 8.382 1.00 0.00 N ATOM 60 CA GLY A 135 -9.225 10.519 8.901 1.00 0.00 C ATOM 61 C GLY A 135 -8.864 9.051 8.793 1.00 0.00 C ATOM 62 O GLY A 135 -7.686 8.695 8.769 1.00 0.00 O ATOM 0 H GLY A 135 -8.110 11.407 7.365 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -9.414 10.768 9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -10.151 10.703 8.357 1.00 0.00 H new ATOM 66 N GLU A 136 -9.881 8.197 8.729 1.00 0.00 N ATOM 67 CA GLU A 136 -9.663 6.759 8.626 1.00 0.00 C ATOM 68 C GLU A 136 -9.979 6.260 7.218 1.00 0.00 C ATOM 69 O GLU A 136 -10.622 6.955 6.431 1.00 0.00 O ATOM 70 CB GLU A 136 -10.527 6.015 9.647 1.00 0.00 C ATOM 71 CG GLU A 136 -10.090 6.231 11.086 1.00 0.00 C ATOM 72 CD GLU A 136 -9.040 5.232 11.532 1.00 0.00 C ATOM 73 OE1 GLU A 136 -9.161 4.043 11.170 1.00 0.00 O ATOM 74 OE2 GLU A 136 -8.097 5.639 12.243 1.00 0.00 O ATOM 0 H GLU A 136 -10.862 8.476 8.747 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.612 6.561 8.836 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.562 6.338 9.538 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -10.501 4.948 9.424 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -9.695 7.241 11.194 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -10.958 6.157 11.741 1.00 0.00 H new ATOM 81 N LYS A 137 -9.520 5.052 6.908 1.00 0.00 N ATOM 82 CA LYS A 137 -9.752 4.459 5.597 1.00 0.00 C ATOM 83 C LYS A 137 -10.737 3.298 5.691 1.00 0.00 C ATOM 84 O LYS A 137 -10.904 2.678 6.742 1.00 0.00 O ATOM 85 CB LYS A 137 -8.432 3.973 4.993 1.00 0.00 C ATOM 86 CG LYS A 137 -7.517 5.100 4.547 1.00 0.00 C ATOM 87 CD LYS A 137 -6.473 4.612 3.556 1.00 0.00 C ATOM 88 CE LYS A 137 -5.482 5.710 3.203 1.00 0.00 C ATOM 89 NZ LYS A 137 -4.345 5.192 2.394 1.00 0.00 N ATOM 0 H LYS A 137 -8.985 4.465 7.548 1.00 0.00 H new ATOM 0 HA LYS A 137 -10.181 5.225 4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -7.909 3.361 5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -8.647 3.331 4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -8.110 5.893 4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.021 5.533 5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.939 3.761 3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.966 4.261 2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -5.994 6.496 2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.100 6.162 4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -3.517 5.808 2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -4.111 4.227 2.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -4.612 5.179 1.389 1.00 0.00 H new ATOM 103 N PRO A 138 -11.406 2.995 4.569 1.00 0.00 N ATOM 104 CA PRO A 138 -12.384 1.906 4.500 1.00 0.00 C ATOM 105 C PRO A 138 -11.730 0.532 4.598 1.00 0.00 C ATOM 106 O PRO A 138 -12.406 -0.474 4.813 1.00 0.00 O ATOM 107 CB PRO A 138 -13.028 2.094 3.124 1.00 0.00 C ATOM 108 CG PRO A 138 -11.997 2.805 2.317 1.00 0.00 C ATOM 109 CD PRO A 138 -11.257 3.692 3.280 1.00 0.00 C ATOM 0 HA PRO A 138 -13.093 1.943 5.327 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -13.290 1.136 2.675 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -13.947 2.676 3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -11.320 2.098 1.839 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -12.459 3.391 1.523 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -10.209 3.802 3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -11.685 4.694 3.313 1.00 0.00 H new ATOM 117 N TYR A 139 -10.412 0.497 4.440 1.00 0.00 N ATOM 118 CA TYR A 139 -9.667 -0.754 4.509 1.00 0.00 C ATOM 119 C TYR A 139 -8.472 -0.626 5.450 1.00 0.00 C ATOM 120 O TYR A 139 -7.898 0.453 5.596 1.00 0.00 O ATOM 121 CB TYR A 139 -9.190 -1.166 3.115 1.00 0.00 C ATOM 122 CG TYR A 139 -10.289 -1.171 2.077 1.00 0.00 C ATOM 123 CD1 TYR A 139 -11.252 -2.172 2.059 1.00 0.00 C ATOM 124 CD2 TYR A 139 -10.365 -0.172 1.113 1.00 0.00 C ATOM 125 CE1 TYR A 139 -12.257 -2.180 1.111 1.00 0.00 C ATOM 126 CE2 TYR A 139 -11.367 -0.171 0.163 1.00 0.00 C ATOM 127 CZ TYR A 139 -12.310 -1.177 0.166 1.00 0.00 C ATOM 128 OH TYR A 139 -13.311 -1.181 -0.779 1.00 0.00 O ATOM 0 H TYR A 139 -9.837 1.321 4.263 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.334 -1.523 4.900 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.401 -0.485 2.794 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -8.749 -2.161 3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.214 -2.958 2.799 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.627 0.617 1.107 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -12.997 -2.967 1.110 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -11.412 0.613 -0.578 1.00 0.00 H new ATOM 0 HH TYR A 139 -13.207 -0.406 -1.369 1.00 0.00 H new ATOM 138 N GLN A 140 -8.105 -1.735 6.084 1.00 0.00 N ATOM 139 CA GLN A 140 -6.979 -1.747 7.011 1.00 0.00 C ATOM 140 C GLN A 140 -6.371 -3.142 7.110 1.00 0.00 C ATOM 141 O GLN A 140 -7.075 -4.122 7.352 1.00 0.00 O ATOM 142 CB GLN A 140 -7.425 -1.272 8.395 1.00 0.00 C ATOM 143 CG GLN A 140 -6.285 -1.150 9.393 1.00 0.00 C ATOM 144 CD GLN A 140 -6.742 -1.336 10.826 1.00 0.00 C ATOM 145 OE1 GLN A 140 -7.933 -1.247 11.127 1.00 0.00 O ATOM 146 NE2 GLN A 140 -5.795 -1.596 11.720 1.00 0.00 N ATOM 0 H GLN A 140 -8.570 -2.636 5.973 1.00 0.00 H new ATOM 0 HA GLN A 140 -6.219 -1.066 6.629 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -7.916 -0.304 8.297 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -8.167 -1.968 8.787 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.522 -1.893 9.160 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -5.819 -0.170 9.289 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -4.820 -1.661 11.426 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.042 -1.731 12.700 1.00 0.00 H new ATOM 155 N CYS A 141 -5.058 -3.224 6.921 1.00 0.00 N ATOM 156 CA CYS A 141 -4.354 -4.499 6.989 1.00 0.00 C ATOM 157 C CYS A 141 -4.349 -5.043 8.414 1.00 0.00 C ATOM 158 O CYS A 141 -4.133 -4.301 9.373 1.00 0.00 O ATOM 159 CB CYS A 141 -2.917 -4.339 6.487 1.00 0.00 C ATOM 160 SG CYS A 141 -2.047 -5.915 6.209 1.00 0.00 S ATOM 0 H CYS A 141 -4.460 -2.422 6.720 1.00 0.00 H new ATOM 0 HA CYS A 141 -4.878 -5.210 6.350 1.00 0.00 H new ATOM 0 HB2 CYS A 141 -2.930 -3.774 5.555 1.00 0.00 H new ATOM 0 HB3 CYS A 141 -2.354 -3.748 7.210 1.00 0.00 H new ATOM 165 N LYS A 142 -4.588 -6.343 8.546 1.00 0.00 N ATOM 166 CA LYS A 142 -4.610 -6.989 9.854 1.00 0.00 C ATOM 167 C LYS A 142 -3.330 -7.785 10.089 1.00 0.00 C ATOM 168 O LYS A 142 -3.325 -8.761 10.838 1.00 0.00 O ATOM 169 CB LYS A 142 -5.826 -7.911 9.969 1.00 0.00 C ATOM 170 CG LYS A 142 -5.799 -9.078 8.997 1.00 0.00 C ATOM 171 CD LYS A 142 -6.677 -8.813 7.785 1.00 0.00 C ATOM 172 CE LYS A 142 -6.562 -9.931 6.759 1.00 0.00 C ATOM 173 NZ LYS A 142 -7.428 -11.092 7.105 1.00 0.00 N ATOM 0 H LYS A 142 -4.769 -6.971 7.763 1.00 0.00 H new ATOM 0 HA LYS A 142 -4.678 -6.212 10.615 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.883 -8.298 10.986 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.731 -7.328 9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -4.774 -9.259 8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -6.138 -9.982 9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.715 -8.713 8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.391 -7.866 7.327 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -6.839 -9.551 5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.524 -10.259 6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.321 -11.832 6.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -7.147 -11.470 8.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -8.421 -10.785 7.143 1.00 0.00 H new ATOM 187 N GLU A 143 -2.248 -7.361 9.444 1.00 0.00 N ATOM 188 CA GLU A 143 -0.963 -8.035 9.585 1.00 0.00 C ATOM 189 C GLU A 143 0.100 -7.076 10.112 1.00 0.00 C ATOM 190 O GLU A 143 0.991 -7.471 10.864 1.00 0.00 O ATOM 191 CB GLU A 143 -0.518 -8.619 8.242 1.00 0.00 C ATOM 192 CG GLU A 143 -1.611 -9.391 7.522 1.00 0.00 C ATOM 193 CD GLU A 143 -2.218 -10.482 8.382 1.00 0.00 C ATOM 194 OE1 GLU A 143 -1.568 -10.891 9.366 1.00 0.00 O ATOM 195 OE2 GLU A 143 -3.343 -10.926 8.071 1.00 0.00 O ATOM 0 H GLU A 143 -2.236 -6.555 8.819 1.00 0.00 H new ATOM 0 HA GLU A 143 -1.084 -8.846 10.303 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -0.173 -7.809 7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 143 0.333 -9.279 8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -2.395 -8.700 7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -1.200 -9.835 6.615 1.00 0.00 H new ATOM 202 N CYS A 144 0.000 -5.813 9.711 1.00 0.00 N ATOM 203 CA CYS A 144 0.952 -4.796 10.141 1.00 0.00 C ATOM 204 C CYS A 144 0.228 -3.571 10.692 1.00 0.00 C ATOM 205 O CYS A 144 0.674 -2.957 11.660 1.00 0.00 O ATOM 206 CB CYS A 144 1.854 -4.386 8.975 1.00 0.00 C ATOM 207 SG CYS A 144 0.949 -3.828 7.495 1.00 0.00 S ATOM 0 H CYS A 144 -0.731 -5.469 9.088 1.00 0.00 H new ATOM 0 HA CYS A 144 1.566 -5.222 10.935 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.516 -3.586 9.306 1.00 0.00 H new ATOM 0 HB3 CYS A 144 2.486 -5.232 8.704 1.00 0.00 H new ATOM 212 N GLY A 145 -0.893 -3.223 10.068 1.00 0.00 N ATOM 213 CA GLY A 145 -1.662 -2.074 10.510 1.00 0.00 C ATOM 214 C GLY A 145 -1.795 -1.016 9.432 1.00 0.00 C ATOM 215 O GLY A 145 -2.111 0.138 9.720 1.00 0.00 O ATOM 0 H GLY A 145 -1.282 -3.716 9.264 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.655 -2.402 10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -1.185 -1.637 11.387 1.00 0.00 H new ATOM 219 N LYS A 146 -1.552 -1.409 8.187 1.00 0.00 N ATOM 220 CA LYS A 146 -1.646 -0.488 7.061 1.00 0.00 C ATOM 221 C LYS A 146 -3.103 -0.160 6.746 1.00 0.00 C ATOM 222 O LYS A 146 -4.019 -0.716 7.352 1.00 0.00 O ATOM 223 CB LYS A 146 -0.969 -1.087 5.826 1.00 0.00 C ATOM 224 CG LYS A 146 0.303 -0.363 5.419 1.00 0.00 C ATOM 225 CD LYS A 146 0.374 -0.165 3.914 1.00 0.00 C ATOM 226 CE LYS A 146 0.982 1.183 3.558 1.00 0.00 C ATOM 227 NZ LYS A 146 -0.023 2.280 3.623 1.00 0.00 N ATOM 0 H LYS A 146 -1.288 -2.361 7.932 1.00 0.00 H new ATOM 0 HA LYS A 146 -1.135 0.435 7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.735 -2.133 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -1.671 -1.068 4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 146 0.347 0.606 5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.170 -0.933 5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 146 0.968 -0.963 3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.627 -0.238 3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 146 1.803 1.402 4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 146 1.405 1.137 2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 0.431 3.182 3.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -0.795 2.084 2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -0.408 2.341 4.587 1.00 0.00 H new ATOM 241 N SER A 147 -3.309 0.743 5.793 1.00 0.00 N ATOM 242 CA SER A 147 -4.654 1.146 5.399 1.00 0.00 C ATOM 243 C SER A 147 -4.677 1.615 3.948 1.00 0.00 C ATOM 244 O SER A 147 -3.806 2.368 3.512 1.00 0.00 O ATOM 245 CB SER A 147 -5.164 2.260 6.315 1.00 0.00 C ATOM 246 OG SER A 147 -4.677 3.524 5.901 1.00 0.00 O ATOM 0 H SER A 147 -2.562 1.210 5.279 1.00 0.00 H new ATOM 0 HA SER A 147 -5.309 0.280 5.493 1.00 0.00 H new ATOM 0 HB2 SER A 147 -6.254 2.268 6.311 1.00 0.00 H new ATOM 0 HB3 SER A 147 -4.850 2.064 7.340 1.00 0.00 H new ATOM 0 HG SER A 147 -5.019 4.219 6.502 1.00 0.00 H new ATOM 252 N PHE A 148 -5.681 1.164 3.203 1.00 0.00 N ATOM 253 CA PHE A 148 -5.819 1.535 1.800 1.00 0.00 C ATOM 254 C PHE A 148 -7.218 2.073 1.515 1.00 0.00 C ATOM 255 O PHE A 148 -8.139 1.894 2.312 1.00 0.00 O ATOM 256 CB PHE A 148 -5.531 0.331 0.901 1.00 0.00 C ATOM 257 CG PHE A 148 -4.125 -0.184 1.022 1.00 0.00 C ATOM 258 CD1 PHE A 148 -3.765 -1.012 2.074 1.00 0.00 C ATOM 259 CD2 PHE A 148 -3.164 0.158 0.085 1.00 0.00 C ATOM 260 CE1 PHE A 148 -2.472 -1.487 2.188 1.00 0.00 C ATOM 261 CE2 PHE A 148 -1.870 -0.314 0.194 1.00 0.00 C ATOM 262 CZ PHE A 148 -1.524 -1.139 1.246 1.00 0.00 C ATOM 0 H PHE A 148 -6.411 0.541 3.548 1.00 0.00 H new ATOM 0 HA PHE A 148 -5.095 2.321 1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -6.226 -0.471 1.148 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -5.720 0.608 -0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -4.503 -1.289 2.812 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -3.429 0.801 -0.741 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -2.203 -2.130 3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -1.130 -0.038 -0.543 1.00 0.00 H new ATOM 0 HZ PHE A 148 -0.514 -1.511 1.332 1.00 0.00 H new ATOM 272 N SER A 149 -7.370 2.734 0.372 1.00 0.00 N ATOM 273 CA SER A 149 -8.655 3.303 -0.018 1.00 0.00 C ATOM 274 C SER A 149 -9.248 2.546 -1.203 1.00 0.00 C ATOM 275 O SER A 149 -10.087 3.073 -1.932 1.00 0.00 O ATOM 276 CB SER A 149 -8.496 4.783 -0.372 1.00 0.00 C ATOM 277 OG SER A 149 -8.288 4.955 -1.763 1.00 0.00 O ATOM 0 H SER A 149 -6.619 2.889 -0.301 1.00 0.00 H new ATOM 0 HA SER A 149 -9.336 3.210 0.828 1.00 0.00 H new ATOM 0 HB2 SER A 149 -9.386 5.332 -0.064 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.655 5.204 0.179 1.00 0.00 H new ATOM 0 HG SER A 149 -9.087 4.667 -2.251 1.00 0.00 H new ATOM 283 N GLN A 150 -8.804 1.307 -1.387 1.00 0.00 N ATOM 284 CA GLN A 150 -9.289 0.477 -2.484 1.00 0.00 C ATOM 285 C GLN A 150 -9.210 -1.002 -2.123 1.00 0.00 C ATOM 286 O GLN A 150 -8.155 -1.500 -1.729 1.00 0.00 O ATOM 287 CB GLN A 150 -8.479 0.748 -3.753 1.00 0.00 C ATOM 288 CG GLN A 150 -8.622 2.170 -4.273 1.00 0.00 C ATOM 289 CD GLN A 150 -10.045 2.505 -4.673 1.00 0.00 C ATOM 290 OE1 GLN A 150 -10.913 1.633 -4.712 1.00 0.00 O ATOM 291 NE2 GLN A 150 -10.292 3.775 -4.973 1.00 0.00 N ATOM 0 H GLN A 150 -8.110 0.856 -0.791 1.00 0.00 H new ATOM 0 HA GLN A 150 -10.333 0.733 -2.666 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.427 0.547 -3.552 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -8.794 0.052 -4.531 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.291 2.869 -3.505 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.965 2.306 -5.132 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -9.542 4.465 -4.927 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -11.232 4.060 -5.249 1.00 0.00 H new ATOM 300 N ARG A 151 -10.333 -1.700 -2.260 1.00 0.00 N ATOM 301 CA ARG A 151 -10.391 -3.123 -1.946 1.00 0.00 C ATOM 302 C ARG A 151 -9.292 -3.886 -2.678 1.00 0.00 C ATOM 303 O ARG A 151 -8.702 -4.820 -2.135 1.00 0.00 O ATOM 304 CB ARG A 151 -11.760 -3.694 -2.321 1.00 0.00 C ATOM 305 CG ARG A 151 -11.947 -5.146 -1.914 1.00 0.00 C ATOM 306 CD ARG A 151 -13.190 -5.329 -1.058 1.00 0.00 C ATOM 307 NE ARG A 151 -14.414 -5.277 -1.852 1.00 0.00 N ATOM 308 CZ ARG A 151 -15.630 -5.438 -1.341 1.00 0.00 C ATOM 309 NH1 ARG A 151 -15.783 -5.659 -0.043 1.00 0.00 N ATOM 310 NH2 ARG A 151 -16.696 -5.378 -2.129 1.00 0.00 N ATOM 0 H ARG A 151 -11.214 -1.304 -2.586 1.00 0.00 H new ATOM 0 HA ARG A 151 -10.238 -3.240 -0.873 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -12.537 -3.091 -1.851 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -11.898 -3.607 -3.399 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -12.023 -5.768 -2.806 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -11.071 -5.486 -1.362 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -13.135 -6.286 -0.539 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -13.221 -4.553 -0.293 1.00 0.00 H new ATOM 0 HE ARG A 151 -14.331 -5.108 -2.854 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -14.966 -5.706 0.566 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -16.718 -5.782 0.347 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -16.583 -5.208 -3.128 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -17.629 -5.502 -1.735 1.00 0.00 H new ATOM 324 N GLY A 152 -9.022 -3.483 -3.916 1.00 0.00 N ATOM 325 CA GLY A 152 -7.995 -4.140 -4.703 1.00 0.00 C ATOM 326 C GLY A 152 -6.595 -3.806 -4.225 1.00 0.00 C ATOM 327 O GLY A 152 -5.717 -4.668 -4.204 1.00 0.00 O ATOM 0 H GLY A 152 -9.496 -2.713 -4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -8.143 -5.219 -4.659 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -8.099 -3.846 -5.748 1.00 0.00 H new ATOM 331 N SER A 153 -6.387 -2.550 -3.842 1.00 0.00 N ATOM 332 CA SER A 153 -5.083 -2.103 -3.367 1.00 0.00 C ATOM 333 C SER A 153 -4.669 -2.867 -2.113 1.00 0.00 C ATOM 334 O SER A 153 -3.556 -3.387 -2.028 1.00 0.00 O ATOM 335 CB SER A 153 -5.110 -0.601 -3.077 1.00 0.00 C ATOM 336 OG SER A 153 -5.233 0.148 -4.274 1.00 0.00 O ATOM 0 H SER A 153 -7.104 -1.825 -3.851 1.00 0.00 H new ATOM 0 HA SER A 153 -4.351 -2.302 -4.150 1.00 0.00 H new ATOM 0 HB2 SER A 153 -5.943 -0.371 -2.413 1.00 0.00 H new ATOM 0 HB3 SER A 153 -4.198 -0.312 -2.556 1.00 0.00 H new ATOM 0 HG SER A 153 -5.250 1.104 -4.061 1.00 0.00 H new ATOM 342 N LEU A 154 -5.574 -2.931 -1.142 1.00 0.00 N ATOM 343 CA LEU A 154 -5.305 -3.632 0.109 1.00 0.00 C ATOM 344 C LEU A 154 -4.887 -5.075 -0.155 1.00 0.00 C ATOM 345 O LEU A 154 -3.885 -5.549 0.379 1.00 0.00 O ATOM 346 CB LEU A 154 -6.541 -3.603 1.008 1.00 0.00 C ATOM 347 CG LEU A 154 -6.570 -4.627 2.143 1.00 0.00 C ATOM 348 CD1 LEU A 154 -5.434 -4.371 3.122 1.00 0.00 C ATOM 349 CD2 LEU A 154 -7.912 -4.592 2.860 1.00 0.00 C ATOM 0 H LEU A 154 -6.500 -2.506 -1.197 1.00 0.00 H new ATOM 0 HA LEU A 154 -4.484 -3.122 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -6.626 -2.607 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.422 -3.756 0.385 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.436 -5.620 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.471 -5.109 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.480 -4.448 2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.536 -3.372 3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.914 -5.327 3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -8.076 -3.598 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.708 -4.825 2.153 1.00 0.00 H new ATOM 361 N ALA A 155 -5.662 -5.768 -0.983 1.00 0.00 N ATOM 362 CA ALA A 155 -5.370 -7.156 -1.320 1.00 0.00 C ATOM 363 C ALA A 155 -3.925 -7.317 -1.778 1.00 0.00 C ATOM 364 O ALA A 155 -3.207 -8.197 -1.302 1.00 0.00 O ATOM 365 CB ALA A 155 -6.325 -7.649 -2.398 1.00 0.00 C ATOM 0 H ALA A 155 -6.496 -5.391 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 155 -5.509 -7.759 -0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -6.096 -8.687 -2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -7.351 -7.579 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -6.213 -7.035 -3.292 1.00 0.00 H new ATOM 371 N VAL A 156 -3.503 -6.463 -2.705 1.00 0.00 N ATOM 372 CA VAL A 156 -2.142 -6.511 -3.226 1.00 0.00 C ATOM 373 C VAL A 156 -1.119 -6.416 -2.101 1.00 0.00 C ATOM 374 O VAL A 156 -0.009 -6.938 -2.210 1.00 0.00 O ATOM 375 CB VAL A 156 -1.887 -5.375 -4.235 1.00 0.00 C ATOM 376 CG1 VAL A 156 -0.509 -5.517 -4.862 1.00 0.00 C ATOM 377 CG2 VAL A 156 -2.970 -5.360 -5.304 1.00 0.00 C ATOM 0 H VAL A 156 -4.084 -5.729 -3.111 1.00 0.00 H new ATOM 0 HA VAL A 156 -2.031 -7.469 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.921 -4.425 -3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -0.347 -4.706 -5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 156 0.252 -5.474 -4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -0.443 -6.473 -5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -2.775 -4.552 -6.009 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -2.970 -6.312 -5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.942 -5.206 -4.835 1.00 0.00 H new ATOM 387 N HIS A 157 -1.499 -5.745 -1.018 1.00 0.00 N ATOM 388 CA HIS A 157 -0.614 -5.582 0.130 1.00 0.00 C ATOM 389 C HIS A 157 -0.807 -6.717 1.131 1.00 0.00 C ATOM 390 O HIS A 157 0.035 -6.940 2.000 1.00 0.00 O ATOM 391 CB HIS A 157 -0.870 -4.237 0.812 1.00 0.00 C ATOM 392 CG HIS A 157 -0.165 -4.087 2.124 1.00 0.00 C ATOM 393 ND1 HIS A 157 1.074 -3.495 2.249 1.00 0.00 N ATOM 394 CD2 HIS A 157 -0.534 -4.453 3.374 1.00 0.00 C ATOM 395 CE1 HIS A 157 1.439 -3.506 3.519 1.00 0.00 C ATOM 396 NE2 HIS A 157 0.480 -4.082 4.223 1.00 0.00 N ATOM 0 H HIS A 157 -2.413 -5.306 -0.911 1.00 0.00 H new ATOM 0 HA HIS A 157 0.415 -5.609 -0.230 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -0.554 -3.435 0.145 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -1.942 -4.117 0.969 1.00 0.00 H new ATOM 0 HD1 HIS A 157 1.623 -3.109 1.481 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -1.454 -4.945 3.652 1.00 0.00 H new ATOM 0 HE1 HIS A 157 2.363 -3.112 3.914 1.00 0.00 H new ATOM 404 N GLU A 158 -1.921 -7.431 1.001 1.00 0.00 N ATOM 405 CA GLU A 158 -2.224 -8.542 1.896 1.00 0.00 C ATOM 406 C GLU A 158 -1.703 -9.858 1.325 1.00 0.00 C ATOM 407 O GLU A 158 -1.641 -10.869 2.024 1.00 0.00 O ATOM 408 CB GLU A 158 -3.732 -8.639 2.133 1.00 0.00 C ATOM 409 CG GLU A 158 -4.335 -7.382 2.738 1.00 0.00 C ATOM 410 CD GLU A 158 -5.263 -7.682 3.900 1.00 0.00 C ATOM 411 OE1 GLU A 158 -6.388 -8.164 3.650 1.00 0.00 O ATOM 412 OE2 GLU A 158 -4.865 -7.434 5.057 1.00 0.00 O ATOM 0 H GLU A 158 -2.628 -7.260 0.286 1.00 0.00 H new ATOM 0 HA GLU A 158 -1.725 -8.355 2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.227 -8.850 1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -3.934 -9.483 2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -3.533 -6.726 3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -4.885 -6.841 1.968 1.00 0.00 H new ATOM 419 N ARG A 159 -1.329 -9.836 0.049 1.00 0.00 N ATOM 420 CA ARG A 159 -0.815 -11.027 -0.617 1.00 0.00 C ATOM 421 C ARG A 159 0.710 -11.005 -0.668 1.00 0.00 C ATOM 422 O ARG A 159 1.362 -12.038 -0.509 1.00 0.00 O ATOM 423 CB ARG A 159 -1.382 -11.129 -2.034 1.00 0.00 C ATOM 424 CG ARG A 159 -1.026 -9.947 -2.920 1.00 0.00 C ATOM 425 CD ARG A 159 0.143 -10.271 -3.837 1.00 0.00 C ATOM 426 NE ARG A 159 -0.143 -11.408 -4.707 1.00 0.00 N ATOM 427 CZ ARG A 159 0.793 -12.083 -5.366 1.00 0.00 C ATOM 428 NH1 ARG A 159 2.068 -11.737 -5.253 1.00 0.00 N ATOM 429 NH2 ARG A 159 0.454 -13.107 -6.139 1.00 0.00 N ATOM 0 H ARG A 159 -1.372 -9.007 -0.543 1.00 0.00 H new ATOM 0 HA ARG A 159 -1.130 -11.899 -0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -1.014 -12.044 -2.498 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -2.467 -11.215 -1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -1.892 -9.666 -3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -0.775 -9.087 -2.298 1.00 0.00 H new ATOM 0 HD2 ARG A 159 0.378 -9.398 -4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 159 1.026 -10.488 -3.236 1.00 0.00 H new ATOM 0 HE ARG A 159 -1.114 -11.700 -4.815 1.00 0.00 H new ATOM 0 HH11 ARG A 159 2.332 -10.951 -4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 159 2.784 -12.257 -5.760 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -0.526 -13.377 -6.228 1.00 0.00 H new ATOM 0 HH22 ARG A 159 1.173 -13.624 -6.644 1.00 0.00 H new ATOM 443 N LEU A 160 1.272 -9.823 -0.893 1.00 0.00 N ATOM 444 CA LEU A 160 2.721 -9.666 -0.966 1.00 0.00 C ATOM 445 C LEU A 160 3.359 -9.855 0.407 1.00 0.00 C ATOM 446 O LEU A 160 4.576 -10.009 0.522 1.00 0.00 O ATOM 447 CB LEU A 160 3.077 -8.286 -1.520 1.00 0.00 C ATOM 448 CG LEU A 160 3.566 -7.258 -0.499 1.00 0.00 C ATOM 449 CD1 LEU A 160 4.018 -5.985 -1.198 1.00 0.00 C ATOM 450 CD2 LEU A 160 2.474 -6.952 0.515 1.00 0.00 C ATOM 0 H LEU A 160 0.747 -8.959 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 160 3.111 -10.432 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 160 3.849 -8.410 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 160 2.198 -7.880 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 160 4.419 -7.680 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 160 4.363 -5.265 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.832 -6.216 -1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.183 -5.560 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.840 -6.219 1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.601 -6.551 -0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.197 -7.867 1.039 1.00 0.00 H new ATOM 462 N HIS A 161 2.530 -9.846 1.446 1.00 0.00 N ATOM 463 CA HIS A 161 3.013 -10.019 2.811 1.00 0.00 C ATOM 464 C HIS A 161 3.856 -11.285 2.932 1.00 0.00 C ATOM 465 O HIS A 161 4.946 -11.266 3.506 1.00 0.00 O ATOM 466 CB HIS A 161 1.838 -10.080 3.787 1.00 0.00 C ATOM 467 CG HIS A 161 1.683 -8.843 4.616 1.00 0.00 C ATOM 468 ND1 HIS A 161 2.622 -8.432 5.538 1.00 0.00 N ATOM 469 CD2 HIS A 161 0.690 -7.923 4.656 1.00 0.00 C ATOM 470 CE1 HIS A 161 2.213 -7.315 6.112 1.00 0.00 C ATOM 471 NE2 HIS A 161 1.044 -6.984 5.594 1.00 0.00 N ATOM 0 H HIS A 161 1.521 -9.721 1.369 1.00 0.00 H new ATOM 0 HA HIS A 161 3.638 -9.161 3.060 1.00 0.00 H new ATOM 0 HB2 HIS A 161 0.919 -10.249 3.226 1.00 0.00 H new ATOM 0 HB3 HIS A 161 1.970 -10.936 4.448 1.00 0.00 H new ATOM 0 HD1 HIS A 161 3.496 -8.915 5.745 1.00 0.00 H new ATOM 0 HD2 HIS A 161 -0.212 -7.927 4.062 1.00 0.00 H new ATOM 0 HE1 HIS A 161 2.744 -6.766 6.875 1.00 0.00 H new ATOM 479 N THR A 162 3.345 -12.386 2.389 1.00 0.00 N ATOM 480 CA THR A 162 4.049 -13.660 2.437 1.00 0.00 C ATOM 481 C THR A 162 5.369 -13.589 1.678 1.00 0.00 C ATOM 482 O THR A 162 5.405 -13.201 0.511 1.00 0.00 O ATOM 483 CB THR A 162 3.193 -14.798 1.850 1.00 0.00 C ATOM 484 OG1 THR A 162 3.947 -16.016 1.824 1.00 0.00 O ATOM 485 CG2 THR A 162 2.729 -14.454 0.442 1.00 0.00 C ATOM 0 H THR A 162 2.445 -12.420 1.910 1.00 0.00 H new ATOM 0 HA THR A 162 4.249 -13.870 3.488 1.00 0.00 H new ATOM 0 HB THR A 162 2.316 -14.927 2.484 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.395 -16.735 1.451 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.126 -15.272 0.048 1.00 0.00 H new ATOM 0 HG22 THR A 162 2.131 -13.543 0.468 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.597 -14.300 -0.200 1.00 0.00 H new ATOM 493 N GLY A 163 6.454 -13.966 2.349 1.00 0.00 N ATOM 494 CA GLY A 163 7.762 -13.937 1.721 1.00 0.00 C ATOM 495 C GLY A 163 8.342 -12.539 1.654 1.00 0.00 C ATOM 496 O GLY A 163 8.064 -11.702 2.513 1.00 0.00 O ATOM 0 H GLY A 163 6.450 -14.291 3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 163 8.442 -14.583 2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 163 7.687 -14.344 0.713 1.00 0.00 H new ATOM 500 N SER A 164 9.152 -12.284 0.631 1.00 0.00 N ATOM 501 CA SER A 164 9.778 -10.978 0.458 1.00 0.00 C ATOM 502 C SER A 164 9.019 -10.144 -0.568 1.00 0.00 C ATOM 503 O SER A 164 8.680 -8.988 -0.317 1.00 0.00 O ATOM 504 CB SER A 164 11.236 -11.142 0.023 1.00 0.00 C ATOM 505 OG SER A 164 11.986 -11.839 1.002 1.00 0.00 O ATOM 0 H SER A 164 9.390 -12.965 -0.090 1.00 0.00 H new ATOM 0 HA SER A 164 9.749 -10.458 1.415 1.00 0.00 H new ATOM 0 HB2 SER A 164 11.278 -11.681 -0.923 1.00 0.00 H new ATOM 0 HB3 SER A 164 11.680 -10.161 -0.149 1.00 0.00 H new ATOM 0 HG SER A 164 12.913 -11.932 0.699 1.00 0.00 H new ATOM 511 N GLY A 165 8.755 -10.739 -1.728 1.00 0.00 N ATOM 512 CA GLY A 165 8.039 -10.037 -2.776 1.00 0.00 C ATOM 513 C GLY A 165 8.957 -9.546 -3.878 1.00 0.00 C ATOM 514 O GLY A 165 10.125 -9.927 -3.957 1.00 0.00 O ATOM 0 H GLY A 165 9.025 -11.695 -1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 165 7.286 -10.699 -3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 165 7.509 -9.188 -2.344 1.00 0.00 H new ATOM 518 N PRO A 166 8.426 -8.680 -4.754 1.00 0.00 N ATOM 519 CA PRO A 166 9.189 -8.119 -5.873 1.00 0.00 C ATOM 520 C PRO A 166 10.264 -7.142 -5.410 1.00 0.00 C ATOM 521 O PRO A 166 10.468 -6.951 -4.211 1.00 0.00 O ATOM 522 CB PRO A 166 8.124 -7.391 -6.698 1.00 0.00 C ATOM 523 CG PRO A 166 7.048 -7.061 -5.722 1.00 0.00 C ATOM 524 CD PRO A 166 7.041 -8.183 -4.720 1.00 0.00 C ATOM 0 HA PRO A 166 9.725 -8.889 -6.428 1.00 0.00 H new ATOM 0 HB2 PRO A 166 8.529 -6.491 -7.160 1.00 0.00 H new ATOM 0 HB3 PRO A 166 7.748 -8.022 -7.504 1.00 0.00 H new ATOM 0 HG2 PRO A 166 7.242 -6.105 -5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 166 6.082 -6.976 -6.220 1.00 0.00 H new ATOM 0 HD2 PRO A 166 6.764 -7.832 -3.726 1.00 0.00 H new ATOM 0 HD3 PRO A 166 6.328 -8.961 -4.993 1.00 0.00 H new ATOM 532 N SER A 167 10.948 -6.525 -6.367 1.00 0.00 N ATOM 533 CA SER A 167 12.005 -5.569 -6.057 1.00 0.00 C ATOM 534 C SER A 167 11.484 -4.459 -5.150 1.00 0.00 C ATOM 535 O SER A 167 11.858 -4.371 -3.980 1.00 0.00 O ATOM 536 CB SER A 167 12.572 -4.968 -7.344 1.00 0.00 C ATOM 537 OG SER A 167 13.354 -5.916 -8.049 1.00 0.00 O ATOM 0 H SER A 167 10.790 -6.670 -7.364 1.00 0.00 H new ATOM 0 HA SER A 167 12.799 -6.100 -5.532 1.00 0.00 H new ATOM 0 HB2 SER A 167 11.755 -4.622 -7.978 1.00 0.00 H new ATOM 0 HB3 SER A 167 13.181 -4.096 -7.104 1.00 0.00 H new ATOM 0 HG SER A 167 13.703 -5.507 -8.868 1.00 0.00 H new ATOM 543 N SER A 168 10.619 -3.612 -5.699 1.00 0.00 N ATOM 544 CA SER A 168 10.049 -2.504 -4.941 1.00 0.00 C ATOM 545 C SER A 168 9.195 -3.018 -3.786 1.00 0.00 C ATOM 546 O SER A 168 9.577 -2.912 -2.622 1.00 0.00 O ATOM 547 CB SER A 168 9.206 -1.613 -5.856 1.00 0.00 C ATOM 548 OG SER A 168 9.936 -0.471 -6.269 1.00 0.00 O ATOM 0 H SER A 168 10.298 -3.672 -6.665 1.00 0.00 H new ATOM 0 HA SER A 168 10.870 -1.917 -4.530 1.00 0.00 H new ATOM 0 HB2 SER A 168 8.888 -2.181 -6.730 1.00 0.00 H new ATOM 0 HB3 SER A 168 8.302 -1.301 -5.333 1.00 0.00 H new ATOM 0 HG SER A 168 9.376 0.081 -6.854 1.00 0.00 H new ATOM 554 N GLY A 169 8.034 -3.576 -4.119 1.00 0.00 N ATOM 555 CA GLY A 169 7.143 -4.098 -3.100 1.00 0.00 C ATOM 556 C GLY A 169 6.743 -3.046 -2.085 1.00 0.00 C ATOM 557 O GLY A 169 6.510 -1.901 -2.469 1.00 0.00 O ATOM 0 H GLY A 169 7.696 -3.675 -5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 169 6.248 -4.499 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 169 7.630 -4.927 -2.587 1.00 0.00 H new TER 561 GLY A 169 HETATM 562 ZN ZN A 201 0.232 -5.216 5.971 1.00 0.00 ZN