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 Set 1.1: A 137 LYS NZ :NH3+ -146:sc= 0.334 (180deg=0.135) USER MOD Set 1.2: A 147 SER OG : rot 180:sc= 0.314 USER MOD Single : A 130 SER OG : rot 180:sc= 0.0386 USER MOD Single : A 131 SER OG : rot 180:sc= 0.032 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.682 USER MOD Single : A 140 GLN : amide:sc= -0.0675 K(o=-0.067,f=-0.86) 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 149 SER OG : rot 180:sc= -0.0233 USER MOD Single : A 150 GLN : amide:sc= -0.0686 K(o=-0.069,f=-1.8!) USER MOD Single : A 153 SER OG : rot 180:sc= -0.151 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 -19:sc= 0.626 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 129 -5.002 27.831 5.439 1.00 0.00 N ATOM 2 CA GLY A 129 -6.229 27.323 6.025 1.00 0.00 C ATOM 3 C GLY A 129 -6.419 25.840 5.776 1.00 0.00 C ATOM 4 O GLY A 129 -5.528 25.037 6.053 1.00 0.00 O ATOM 0 HA2 GLY A 129 -6.220 27.510 7.099 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -7.078 27.869 5.614 1.00 0.00 H new ATOM 8 N SER A 130 -7.585 25.474 5.253 1.00 0.00 N ATOM 9 CA SER A 130 -7.892 24.076 4.972 1.00 0.00 C ATOM 10 C SER A 130 -6.901 23.494 3.969 1.00 0.00 C ATOM 11 O SER A 130 -7.015 23.720 2.765 1.00 0.00 O ATOM 12 CB SER A 130 -9.318 23.944 4.434 1.00 0.00 C ATOM 13 OG SER A 130 -10.184 24.882 5.048 1.00 0.00 O ATOM 0 H SER A 130 -8.333 26.126 5.015 1.00 0.00 H new ATOM 0 HA SER A 130 -7.810 23.516 5.904 1.00 0.00 H new ATOM 0 HB2 SER A 130 -9.318 24.096 3.355 1.00 0.00 H new ATOM 0 HB3 SER A 130 -9.685 22.934 4.613 1.00 0.00 H new ATOM 0 HG SER A 130 -11.089 24.778 4.686 1.00 0.00 H new ATOM 19 N SER A 131 -5.929 22.742 4.476 1.00 0.00 N ATOM 20 CA SER A 131 -4.915 22.129 3.626 1.00 0.00 C ATOM 21 C SER A 131 -5.416 20.808 3.049 1.00 0.00 C ATOM 22 O SER A 131 -5.016 20.402 1.959 1.00 0.00 O ATOM 23 CB SER A 131 -3.627 21.897 4.418 1.00 0.00 C ATOM 24 OG SER A 131 -3.599 22.693 5.590 1.00 0.00 O ATOM 0 H SER A 131 -5.822 22.543 5.471 1.00 0.00 H new ATOM 0 HA SER A 131 -4.708 22.811 2.801 1.00 0.00 H new ATOM 0 HB2 SER A 131 -3.547 20.844 4.688 1.00 0.00 H new ATOM 0 HB3 SER A 131 -2.765 22.133 3.794 1.00 0.00 H new ATOM 0 HG SER A 131 -2.767 22.525 6.079 1.00 0.00 H new ATOM 30 N GLY A 132 -6.294 20.140 3.792 1.00 0.00 N ATOM 31 CA GLY A 132 -6.835 18.872 3.340 1.00 0.00 C ATOM 32 C GLY A 132 -7.344 18.018 4.484 1.00 0.00 C ATOM 33 O GLY A 132 -7.302 18.431 5.642 1.00 0.00 O ATOM 0 H GLY A 132 -6.640 20.455 4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -7.649 19.057 2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -6.065 18.325 2.797 1.00 0.00 H new ATOM 37 N SER A 133 -7.828 16.823 4.159 1.00 0.00 N ATOM 38 CA SER A 133 -8.352 15.910 5.168 1.00 0.00 C ATOM 39 C SER A 133 -8.585 14.523 4.577 1.00 0.00 C ATOM 40 O SER A 133 -9.285 14.372 3.576 1.00 0.00 O ATOM 41 CB SER A 133 -9.658 16.455 5.750 1.00 0.00 C ATOM 42 OG SER A 133 -9.817 16.061 7.102 1.00 0.00 O ATOM 0 H SER A 133 -7.868 16.465 3.205 1.00 0.00 H new ATOM 0 HA SER A 133 -7.614 15.827 5.966 1.00 0.00 H new ATOM 0 HB2 SER A 133 -9.664 17.543 5.682 1.00 0.00 H new ATOM 0 HB3 SER A 133 -10.501 16.094 5.161 1.00 0.00 H new ATOM 0 HG SER A 133 -10.658 16.423 7.452 1.00 0.00 H new ATOM 48 N SER A 134 -7.993 13.512 5.205 1.00 0.00 N ATOM 49 CA SER A 134 -8.132 12.137 4.740 1.00 0.00 C ATOM 50 C SER A 134 -8.915 11.300 5.747 1.00 0.00 C ATOM 51 O SER A 134 -9.926 10.687 5.409 1.00 0.00 O ATOM 52 CB SER A 134 -6.755 11.514 4.503 1.00 0.00 C ATOM 53 OG SER A 134 -6.215 11.927 3.260 1.00 0.00 O ATOM 0 H SER A 134 -7.413 13.619 6.037 1.00 0.00 H new ATOM 0 HA SER A 134 -8.682 12.152 3.799 1.00 0.00 H new ATOM 0 HB2 SER A 134 -6.080 11.800 5.309 1.00 0.00 H new ATOM 0 HB3 SER A 134 -6.836 10.427 4.525 1.00 0.00 H new ATOM 0 HG SER A 134 -5.334 11.516 3.133 1.00 0.00 H new ATOM 59 N GLY A 135 -8.437 11.279 6.988 1.00 0.00 N ATOM 60 CA GLY A 135 -9.103 10.514 8.026 1.00 0.00 C ATOM 61 C GLY A 135 -8.934 9.019 7.844 1.00 0.00 C ATOM 62 O GLY A 135 -8.198 8.575 6.964 1.00 0.00 O ATOM 0 H GLY A 135 -7.601 11.778 7.293 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -8.707 10.805 8.999 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -10.165 10.759 8.028 1.00 0.00 H new ATOM 66 N GLU A 136 -9.617 8.242 8.679 1.00 0.00 N ATOM 67 CA GLU A 136 -9.535 6.787 8.606 1.00 0.00 C ATOM 68 C GLU A 136 -9.846 6.295 7.196 1.00 0.00 C ATOM 69 O GLU A 136 -10.391 7.032 6.374 1.00 0.00 O ATOM 70 CB GLU A 136 -10.503 6.150 9.606 1.00 0.00 C ATOM 71 CG GLU A 136 -10.140 6.414 11.057 1.00 0.00 C ATOM 72 CD GLU A 136 -10.560 5.285 11.978 1.00 0.00 C ATOM 73 OE1 GLU A 136 -10.362 4.110 11.604 1.00 0.00 O ATOM 74 OE2 GLU A 136 -11.087 5.576 13.072 1.00 0.00 O ATOM 0 H GLU A 136 -10.232 8.594 9.412 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.516 6.492 8.858 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.508 6.528 9.417 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -10.530 5.073 9.437 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -9.063 6.562 11.137 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -10.614 7.340 11.384 1.00 0.00 H new ATOM 81 N LYS A 137 -9.495 5.043 6.922 1.00 0.00 N ATOM 82 CA LYS A 137 -9.736 4.449 5.612 1.00 0.00 C ATOM 83 C LYS A 137 -10.716 3.285 5.715 1.00 0.00 C ATOM 84 O LYS A 137 -10.870 2.662 6.765 1.00 0.00 O ATOM 85 CB LYS A 137 -8.419 3.969 4.998 1.00 0.00 C ATOM 86 CG LYS A 137 -7.504 5.099 4.560 1.00 0.00 C ATOM 87 CD LYS A 137 -6.449 4.614 3.580 1.00 0.00 C ATOM 88 CE LYS A 137 -5.478 5.726 3.211 1.00 0.00 C ATOM 89 NZ LYS A 137 -4.102 5.447 3.707 1.00 0.00 N ATOM 0 H LYS A 137 -9.042 4.419 7.590 1.00 0.00 H new ATOM 0 HA LYS A 137 -10.173 5.212 4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -7.894 3.349 5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -8.638 3.336 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -8.096 5.889 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.018 5.534 5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.900 3.780 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.933 4.238 2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -5.457 5.845 2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.830 6.669 3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -3.640 6.341 3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -4.152 4.824 4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -3.551 4.981 2.958 1.00 0.00 H new ATOM 103 N PRO A 138 -11.395 2.982 4.598 1.00 0.00 N ATOM 104 CA PRO A 138 -12.370 1.890 4.537 1.00 0.00 C ATOM 105 C PRO A 138 -11.711 0.518 4.625 1.00 0.00 C ATOM 106 O PRO A 138 -12.381 -0.491 4.847 1.00 0.00 O ATOM 107 CB PRO A 138 -13.029 2.079 3.168 1.00 0.00 C ATOM 108 CG PRO A 138 -12.009 2.795 2.352 1.00 0.00 C ATOM 109 CD PRO A 138 -11.262 3.682 3.310 1.00 0.00 C ATOM 0 HA PRO A 138 -13.071 1.923 5.371 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -13.293 1.121 2.720 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -13.949 2.658 3.248 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -11.334 2.091 1.865 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -12.481 3.382 1.564 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -10.217 3.796 3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -11.693 4.683 3.350 1.00 0.00 H new ATOM 117 N TYR A 139 -10.394 0.487 4.451 1.00 0.00 N ATOM 118 CA TYR A 139 -9.645 -0.762 4.509 1.00 0.00 C ATOM 119 C TYR A 139 -8.442 -0.632 5.440 1.00 0.00 C ATOM 120 O TYR A 139 -7.839 0.435 5.546 1.00 0.00 O ATOM 121 CB TYR A 139 -9.179 -1.168 3.110 1.00 0.00 C ATOM 122 CG TYR A 139 -10.287 -1.169 2.080 1.00 0.00 C ATOM 123 CD1 TYR A 139 -11.250 -2.169 2.068 1.00 0.00 C ATOM 124 CD2 TYR A 139 -10.370 -0.167 1.120 1.00 0.00 C ATOM 125 CE1 TYR A 139 -12.263 -2.174 1.128 1.00 0.00 C ATOM 126 CE2 TYR A 139 -11.380 -0.163 0.178 1.00 0.00 C ATOM 127 CZ TYR A 139 -12.324 -1.169 0.186 1.00 0.00 C ATOM 128 OH TYR A 139 -13.332 -1.169 -0.751 1.00 0.00 O ATOM 0 H TYR A 139 -9.824 1.313 4.269 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.306 -1.534 4.903 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.393 -0.486 2.786 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -8.737 -2.163 3.158 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.207 -2.956 2.806 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.632 0.622 1.111 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -13.003 -2.961 1.131 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -11.431 0.623 -0.561 1.00 0.00 H new ATOM 0 HH TYR A 139 -13.231 -0.392 -1.340 1.00 0.00 H new ATOM 138 N GLN A 140 -8.100 -1.728 6.110 1.00 0.00 N ATOM 139 CA GLN A 140 -6.970 -1.738 7.031 1.00 0.00 C ATOM 140 C GLN A 140 -6.363 -3.133 7.133 1.00 0.00 C ATOM 141 O GLN A 140 -7.065 -4.109 7.400 1.00 0.00 O ATOM 142 CB GLN A 140 -7.410 -1.258 8.415 1.00 0.00 C ATOM 143 CG GLN A 140 -6.270 -1.165 9.418 1.00 0.00 C ATOM 144 CD GLN A 140 -6.694 -1.551 10.821 1.00 0.00 C ATOM 145 OE1 GLN A 140 -7.874 -1.480 11.167 1.00 0.00 O ATOM 146 NE2 GLN A 140 -5.732 -1.962 11.638 1.00 0.00 N ATOM 0 H GLN A 140 -8.589 -2.620 6.032 1.00 0.00 H new ATOM 0 HA GLN A 140 -6.211 -1.059 6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -7.879 -0.279 8.319 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -8.169 -1.938 8.802 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.455 -1.814 9.097 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -5.881 -0.147 9.427 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -4.767 -2.005 11.309 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -5.957 -2.235 12.595 1.00 0.00 H new ATOM 155 N CYS A 141 -5.054 -3.220 6.919 1.00 0.00 N ATOM 156 CA CYS A 141 -4.352 -4.496 6.986 1.00 0.00 C ATOM 157 C CYS A 141 -4.349 -5.042 8.411 1.00 0.00 C ATOM 158 O CYS A 141 -4.133 -4.302 9.371 1.00 0.00 O ATOM 159 CB CYS A 141 -2.914 -4.337 6.486 1.00 0.00 C ATOM 160 SG CYS A 141 -2.045 -5.913 6.209 1.00 0.00 S ATOM 0 H CYS A 141 -4.458 -2.422 6.698 1.00 0.00 H new ATOM 0 HA CYS A 141 -4.877 -5.205 6.346 1.00 0.00 H new ATOM 0 HB2 CYS A 141 -2.925 -3.772 5.554 1.00 0.00 H new ATOM 0 HB3 CYS A 141 -2.352 -3.747 7.210 1.00 0.00 H new ATOM 165 N LYS A 142 -4.590 -6.342 8.541 1.00 0.00 N ATOM 166 CA LYS A 142 -4.614 -6.989 9.847 1.00 0.00 C ATOM 167 C LYS A 142 -3.336 -7.787 10.083 1.00 0.00 C ATOM 168 O LYS A 142 -3.333 -8.764 10.831 1.00 0.00 O ATOM 169 CB LYS A 142 -5.831 -7.911 9.960 1.00 0.00 C ATOM 170 CG LYS A 142 -5.803 -9.076 8.987 1.00 0.00 C ATOM 171 CD LYS A 142 -6.677 -8.810 7.773 1.00 0.00 C ATOM 172 CE LYS A 142 -6.543 -9.915 6.736 1.00 0.00 C ATOM 173 NZ LYS A 142 -7.687 -10.866 6.788 1.00 0.00 N ATOM 0 H LYS A 142 -4.772 -6.969 7.757 1.00 0.00 H new ATOM 0 HA LYS A 142 -4.682 -6.212 10.608 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.889 -8.299 10.977 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.736 -7.327 9.789 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -4.778 -9.258 8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -6.144 -9.980 9.491 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.718 -8.726 8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.400 -7.855 7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -6.482 -9.474 5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.612 -10.457 6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.558 -11.604 6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -7.730 -11.306 7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -8.573 -10.353 6.605 1.00 0.00 H new ATOM 187 N GLU A 143 -2.251 -7.361 9.443 1.00 0.00 N ATOM 188 CA GLU A 143 -0.967 -8.036 9.585 1.00 0.00 C ATOM 189 C GLU A 143 0.095 -7.079 10.117 1.00 0.00 C ATOM 190 O GLU A 143 0.984 -7.476 10.871 1.00 0.00 O ATOM 191 CB GLU A 143 -0.519 -8.617 8.242 1.00 0.00 C ATOM 192 CG GLU A 143 -1.605 -9.402 7.526 1.00 0.00 C ATOM 193 CD GLU A 143 -2.207 -10.490 8.394 1.00 0.00 C ATOM 194 OE1 GLU A 143 -1.549 -10.901 9.372 1.00 0.00 O ATOM 195 OE2 GLU A 143 -3.338 -10.929 8.094 1.00 0.00 O ATOM 0 H GLU A 143 -2.236 -6.552 8.822 1.00 0.00 H new ATOM 0 HA GLU A 143 -1.091 -8.849 10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -0.185 -7.804 7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 143 0.340 -9.268 8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -2.392 -8.719 7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -1.189 -9.851 6.624 1.00 0.00 H new ATOM 202 N CYS A 144 -0.003 -5.815 9.718 1.00 0.00 N ATOM 203 CA CYS A 144 0.949 -4.799 10.152 1.00 0.00 C ATOM 204 C CYS A 144 0.224 -3.574 10.700 1.00 0.00 C ATOM 205 O CYS A 144 0.666 -2.960 11.670 1.00 0.00 O ATOM 206 CB CYS A 144 1.857 -4.391 8.990 1.00 0.00 C ATOM 207 SG CYS A 144 0.959 -3.833 7.506 1.00 0.00 S ATOM 0 H CYS A 144 -0.733 -5.470 9.094 1.00 0.00 H new ATOM 0 HA CYS A 144 1.559 -5.225 10.948 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.519 -3.592 9.323 1.00 0.00 H new ATOM 0 HB3 CYS A 144 2.489 -5.238 8.722 1.00 0.00 H new ATOM 212 N GLY A 145 -0.894 -3.223 10.071 1.00 0.00 N ATOM 213 CA GLY A 145 -1.663 -2.073 10.510 1.00 0.00 C ATOM 214 C GLY A 145 -1.798 -1.020 9.429 1.00 0.00 C ATOM 215 O GLY A 145 -2.121 0.134 9.712 1.00 0.00 O ATOM 0 H GLY A 145 -1.281 -3.715 9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.655 -2.400 10.820 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -1.185 -1.632 11.385 1.00 0.00 H new ATOM 219 N LYS A 146 -1.549 -1.415 8.185 1.00 0.00 N ATOM 220 CA LYS A 146 -1.644 -0.497 7.056 1.00 0.00 C ATOM 221 C LYS A 146 -3.099 -0.143 6.764 1.00 0.00 C ATOM 222 O LYS A 146 -4.012 -0.629 7.431 1.00 0.00 O ATOM 223 CB LYS A 146 -0.999 -1.116 5.814 1.00 0.00 C ATOM 224 CG LYS A 146 0.281 -0.422 5.383 1.00 0.00 C ATOM 225 CD LYS A 146 0.313 -0.191 3.882 1.00 0.00 C ATOM 226 CE LYS A 146 0.959 1.142 3.536 1.00 0.00 C ATOM 227 NZ LYS A 146 -0.051 2.224 3.379 1.00 0.00 N ATOM 0 H LYS A 146 -1.280 -2.366 7.933 1.00 0.00 H new ATOM 0 HA LYS A 146 -1.111 0.418 7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.784 -2.166 6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -1.713 -1.086 4.991 1.00 0.00 H new ATOM 0 HG2 LYS A 146 0.370 0.533 5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.140 -1.025 5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 146 0.864 -0.999 3.400 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.703 -0.218 3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 146 1.666 1.417 4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 146 1.529 1.040 2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 0.429 3.116 3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -0.711 1.974 2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -0.578 2.339 4.268 1.00 0.00 H new ATOM 241 N SER A 147 -3.306 0.707 5.763 1.00 0.00 N ATOM 242 CA SER A 147 -4.650 1.128 5.384 1.00 0.00 C ATOM 243 C SER A 147 -4.681 1.608 3.936 1.00 0.00 C ATOM 244 O SER A 147 -3.817 2.370 3.504 1.00 0.00 O ATOM 245 CB SER A 147 -5.139 2.241 6.313 1.00 0.00 C ATOM 246 OG SER A 147 -4.444 3.451 6.069 1.00 0.00 O ATOM 0 H SER A 147 -2.561 1.117 5.200 1.00 0.00 H new ATOM 0 HA SER A 147 -5.314 0.268 5.478 1.00 0.00 H new ATOM 0 HB2 SER A 147 -6.208 2.396 6.168 1.00 0.00 H new ATOM 0 HB3 SER A 147 -4.999 1.940 7.351 1.00 0.00 H new ATOM 0 HG SER A 147 -4.776 4.147 6.674 1.00 0.00 H new ATOM 252 N PHE A 148 -5.684 1.155 3.191 1.00 0.00 N ATOM 253 CA PHE A 148 -5.829 1.537 1.791 1.00 0.00 C ATOM 254 C PHE A 148 -7.231 2.072 1.515 1.00 0.00 C ATOM 255 O PHE A 148 -8.144 1.895 2.322 1.00 0.00 O ATOM 256 CB PHE A 148 -5.539 0.341 0.882 1.00 0.00 C ATOM 257 CG PHE A 148 -4.135 -0.179 1.004 1.00 0.00 C ATOM 258 CD1 PHE A 148 -3.785 -1.030 2.040 1.00 0.00 C ATOM 259 CD2 PHE A 148 -3.166 0.184 0.083 1.00 0.00 C ATOM 260 CE1 PHE A 148 -2.493 -1.510 2.154 1.00 0.00 C ATOM 261 CE2 PHE A 148 -1.873 -0.293 0.192 1.00 0.00 C ATOM 262 CZ PHE A 148 -1.536 -1.140 1.230 1.00 0.00 C ATOM 0 H PHE A 148 -6.408 0.523 3.533 1.00 0.00 H new ATOM 0 HA PHE A 148 -5.110 2.328 1.580 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -6.237 -0.462 1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -5.723 0.629 -0.153 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -4.529 -1.322 2.766 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -3.424 0.847 -0.730 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -2.233 -2.174 2.965 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -1.127 -0.004 -0.534 1.00 0.00 H new ATOM 0 HZ PHE A 148 -0.526 -1.512 1.319 1.00 0.00 H new ATOM 272 N SER A 149 -7.393 2.727 0.371 1.00 0.00 N ATOM 273 CA SER A 149 -8.682 3.292 -0.011 1.00 0.00 C ATOM 274 C SER A 149 -9.282 2.530 -1.188 1.00 0.00 C ATOM 275 O SER A 149 -10.177 3.028 -1.872 1.00 0.00 O ATOM 276 CB SER A 149 -8.528 4.771 -0.371 1.00 0.00 C ATOM 277 OG SER A 149 -8.300 4.937 -1.760 1.00 0.00 O ATOM 0 H SER A 149 -6.648 2.880 -0.308 1.00 0.00 H new ATOM 0 HA SER A 149 -9.357 3.201 0.840 1.00 0.00 H new ATOM 0 HB2 SER A 149 -9.426 5.315 -0.079 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.699 5.201 0.191 1.00 0.00 H new ATOM 0 HG SER A 149 -8.207 5.891 -1.964 1.00 0.00 H new ATOM 283 N GLN A 150 -8.783 1.321 -1.419 1.00 0.00 N ATOM 284 CA GLN A 150 -9.269 0.490 -2.514 1.00 0.00 C ATOM 285 C GLN A 150 -9.231 -0.987 -2.135 1.00 0.00 C ATOM 286 O GLN A 150 -8.194 -1.505 -1.722 1.00 0.00 O ATOM 287 CB GLN A 150 -8.432 0.727 -3.772 1.00 0.00 C ATOM 288 CG GLN A 150 -8.165 2.196 -4.057 1.00 0.00 C ATOM 289 CD GLN A 150 -7.735 2.445 -5.489 1.00 0.00 C ATOM 290 OE1 GLN A 150 -7.931 1.600 -6.364 1.00 0.00 O ATOM 291 NE2 GLN A 150 -7.145 3.608 -5.738 1.00 0.00 N ATOM 0 H GLN A 150 -8.042 0.894 -0.863 1.00 0.00 H new ATOM 0 HA GLN A 150 -10.303 0.768 -2.716 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.480 0.207 -3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -8.944 0.287 -4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -9.066 2.772 -3.847 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.390 2.558 -3.381 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -7.002 4.279 -4.983 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -6.834 3.830 -6.684 1.00 0.00 H new ATOM 300 N ARG A 151 -10.369 -1.659 -2.279 1.00 0.00 N ATOM 301 CA ARG A 151 -10.466 -3.076 -1.950 1.00 0.00 C ATOM 302 C ARG A 151 -9.382 -3.876 -2.666 1.00 0.00 C ATOM 303 O ARG A 151 -8.863 -4.855 -2.132 1.00 0.00 O ATOM 304 CB ARG A 151 -11.847 -3.616 -2.329 1.00 0.00 C ATOM 305 CG ARG A 151 -11.996 -5.112 -2.112 1.00 0.00 C ATOM 306 CD ARG A 151 -13.155 -5.427 -1.179 1.00 0.00 C ATOM 307 NE ARG A 151 -13.655 -6.786 -1.366 1.00 0.00 N ATOM 308 CZ ARG A 151 -14.792 -7.230 -0.842 1.00 0.00 C ATOM 309 NH1 ARG A 151 -15.543 -6.425 -0.103 1.00 0.00 N ATOM 310 NH2 ARG A 151 -15.180 -8.480 -1.057 1.00 0.00 N ATOM 0 H ARG A 151 -11.236 -1.245 -2.621 1.00 0.00 H new ATOM 0 HA ARG A 151 -10.323 -3.184 -0.875 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -12.605 -3.095 -1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -12.042 -3.388 -3.377 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -12.155 -5.606 -3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -11.072 -5.514 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -12.834 -5.298 -0.145 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -13.963 -4.716 -1.352 1.00 0.00 H new ATOM 0 HE ARG A 151 -13.101 -7.430 -1.930 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -15.248 -5.463 0.064 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -16.416 -6.768 0.298 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -14.605 -9.102 -1.625 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -16.053 -8.819 -0.654 1.00 0.00 H new ATOM 324 N GLY A 152 -9.044 -3.451 -3.880 1.00 0.00 N ATOM 325 CA GLY A 152 -8.023 -4.139 -4.649 1.00 0.00 C ATOM 326 C GLY A 152 -6.621 -3.817 -4.172 1.00 0.00 C ATOM 327 O GLY A 152 -5.767 -4.700 -4.092 1.00 0.00 O ATOM 0 H GLY A 152 -9.459 -2.643 -4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -8.187 -5.215 -4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -8.118 -3.865 -5.700 1.00 0.00 H new ATOM 331 N SER A 153 -6.382 -2.548 -3.855 1.00 0.00 N ATOM 332 CA SER A 153 -5.072 -2.111 -3.388 1.00 0.00 C ATOM 333 C SER A 153 -4.660 -2.873 -2.133 1.00 0.00 C ATOM 334 O SER A 153 -3.546 -3.392 -2.044 1.00 0.00 O ATOM 335 CB SER A 153 -5.084 -0.607 -3.105 1.00 0.00 C ATOM 336 OG SER A 153 -5.140 0.138 -4.308 1.00 0.00 O ATOM 0 H SER A 153 -7.079 -1.805 -3.913 1.00 0.00 H new ATOM 0 HA SER A 153 -4.345 -2.320 -4.173 1.00 0.00 H new ATOM 0 HB2 SER A 153 -5.941 -0.358 -2.480 1.00 0.00 H new ATOM 0 HB3 SER A 153 -4.190 -0.332 -2.545 1.00 0.00 H new ATOM 0 HG SER A 153 -5.148 1.096 -4.100 1.00 0.00 H new ATOM 342 N LEU A 154 -5.566 -2.937 -1.163 1.00 0.00 N ATOM 343 CA LEU A 154 -5.299 -3.636 0.089 1.00 0.00 C ATOM 344 C LEU A 154 -4.875 -5.078 -0.172 1.00 0.00 C ATOM 345 O LEU A 154 -3.872 -5.547 0.365 1.00 0.00 O ATOM 346 CB LEU A 154 -6.539 -3.611 0.984 1.00 0.00 C ATOM 347 CG LEU A 154 -6.570 -4.638 2.117 1.00 0.00 C ATOM 348 CD1 LEU A 154 -5.429 -4.392 3.092 1.00 0.00 C ATOM 349 CD2 LEU A 154 -7.909 -4.597 2.838 1.00 0.00 C ATOM 0 H LEU A 154 -6.492 -2.513 -1.220 1.00 0.00 H new ATOM 0 HA LEU A 154 -4.482 -3.123 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -6.628 -2.616 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.418 -3.764 0.358 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.443 -5.631 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.467 -5.132 3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.477 -4.474 2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.523 -3.393 3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.913 -5.334 3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -8.066 -3.603 3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.709 -4.824 2.133 1.00 0.00 H new ATOM 361 N ALA A 155 -5.645 -5.775 -1.001 1.00 0.00 N ATOM 362 CA ALA A 155 -5.347 -7.162 -1.337 1.00 0.00 C ATOM 363 C ALA A 155 -3.900 -7.318 -1.790 1.00 0.00 C ATOM 364 O ALA A 155 -3.181 -8.198 -1.314 1.00 0.00 O ATOM 365 CB ALA A 155 -6.297 -7.659 -2.417 1.00 0.00 C ATOM 0 H ALA A 155 -6.480 -5.402 -1.452 1.00 0.00 H new ATOM 0 HA ALA A 155 -5.486 -7.766 -0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -6.063 -8.696 -2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -7.324 -7.593 -2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -6.186 -7.045 -3.310 1.00 0.00 H new ATOM 371 N VAL A 156 -3.477 -6.460 -2.712 1.00 0.00 N ATOM 372 CA VAL A 156 -2.114 -6.502 -3.229 1.00 0.00 C ATOM 373 C VAL A 156 -1.095 -6.411 -2.100 1.00 0.00 C ATOM 374 O VAL A 156 0.014 -6.936 -2.205 1.00 0.00 O ATOM 375 CB VAL A 156 -1.858 -5.361 -4.231 1.00 0.00 C ATOM 376 CG1 VAL A 156 -0.433 -5.422 -4.758 1.00 0.00 C ATOM 377 CG2 VAL A 156 -2.861 -5.420 -5.374 1.00 0.00 C ATOM 0 H VAL A 156 -4.059 -5.727 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 156 -1.999 -7.457 -3.741 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.988 -4.411 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -0.271 -4.608 -5.465 1.00 0.00 H new ATOM 0 HG12 VAL A 156 0.266 -5.326 -3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -0.271 -6.376 -5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -2.665 -4.606 -6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -2.766 -6.374 -5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.871 -5.322 -4.977 1.00 0.00 H new ATOM 387 N HIS A 157 -1.477 -5.740 -1.018 1.00 0.00 N ATOM 388 CA HIS A 157 -0.596 -5.581 0.134 1.00 0.00 C ATOM 389 C HIS A 157 -0.796 -6.717 1.133 1.00 0.00 C ATOM 390 O HIS A 157 0.041 -6.942 2.006 1.00 0.00 O ATOM 391 CB HIS A 157 -0.851 -4.236 0.815 1.00 0.00 C ATOM 392 CG HIS A 157 -0.153 -4.090 2.132 1.00 0.00 C ATOM 393 ND1 HIS A 157 1.089 -3.506 2.265 1.00 0.00 N ATOM 394 CD2 HIS A 157 -0.531 -4.454 3.380 1.00 0.00 C ATOM 395 CE1 HIS A 157 1.446 -3.519 3.536 1.00 0.00 C ATOM 396 NE2 HIS A 157 0.480 -4.089 4.234 1.00 0.00 N ATOM 0 H HIS A 157 -2.390 -5.298 -0.915 1.00 0.00 H new ATOM 0 HA HIS A 157 0.434 -5.611 -0.221 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -0.527 -3.435 0.151 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -1.923 -4.112 0.966 1.00 0.00 H new ATOM 0 HD1 HIS A 157 1.645 -3.123 1.500 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -1.456 -4.941 3.653 1.00 0.00 H new ATOM 0 HE1 HIS A 157 2.370 -3.130 3.937 1.00 0.00 H new ATOM 404 N GLU A 158 -1.911 -7.428 0.997 1.00 0.00 N ATOM 405 CA GLU A 158 -2.221 -8.539 1.889 1.00 0.00 C ATOM 406 C GLU A 158 -1.700 -9.855 1.320 1.00 0.00 C ATOM 407 O GLU A 158 -1.644 -10.867 2.019 1.00 0.00 O ATOM 408 CB GLU A 158 -3.731 -8.632 2.119 1.00 0.00 C ATOM 409 CG GLU A 158 -4.333 -7.376 2.727 1.00 0.00 C ATOM 410 CD GLU A 158 -5.265 -7.676 3.884 1.00 0.00 C ATOM 411 OE1 GLU A 158 -4.765 -7.909 5.004 1.00 0.00 O ATOM 412 OE2 GLU A 158 -6.495 -7.679 3.669 1.00 0.00 O ATOM 0 H GLU A 158 -2.614 -7.255 0.278 1.00 0.00 H new ATOM 0 HA GLU A 158 -1.727 -8.354 2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.223 -8.837 1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -3.939 -9.478 2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -3.531 -6.723 3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -4.879 -6.830 1.958 1.00 0.00 H new ATOM 419 N ARG A 159 -1.321 -9.833 0.046 1.00 0.00 N ATOM 420 CA ARG A 159 -0.806 -11.025 -0.618 1.00 0.00 C ATOM 421 C ARG A 159 0.719 -11.007 -0.663 1.00 0.00 C ATOM 422 O ARG A 159 1.368 -12.041 -0.500 1.00 0.00 O ATOM 423 CB ARG A 159 -1.368 -11.125 -2.038 1.00 0.00 C ATOM 424 CG ARG A 159 -1.004 -9.943 -2.922 1.00 0.00 C ATOM 425 CD ARG A 159 0.171 -10.269 -3.831 1.00 0.00 C ATOM 426 NE ARG A 159 -0.121 -11.387 -4.723 1.00 0.00 N ATOM 427 CZ ARG A 159 0.642 -11.720 -5.758 1.00 0.00 C ATOM 428 NH1 ARG A 159 1.737 -11.024 -6.030 1.00 0.00 N ATOM 429 NH2 ARG A 159 0.311 -12.752 -6.524 1.00 0.00 N ATOM 0 H ARG A 159 -1.361 -9.004 -0.546 1.00 0.00 H new ATOM 0 HA ARG A 159 -1.124 -11.896 -0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -1.001 -12.041 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -2.454 -11.207 -1.985 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -1.866 -9.660 -3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -0.756 -9.084 -2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 159 0.426 -9.390 -4.423 1.00 0.00 H new ATOM 0 HD3 ARG A 159 1.044 -10.508 -3.223 1.00 0.00 H new ATOM 0 HE ARG A 159 -0.957 -11.943 -4.542 1.00 0.00 H new ATOM 0 HH11 ARG A 159 1.996 -10.230 -5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 159 2.321 -11.282 -6.825 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -0.530 -13.291 -6.318 1.00 0.00 H new ATOM 0 HH22 ARG A 159 0.898 -13.006 -7.318 1.00 0.00 H new ATOM 443 N LEU A 160 1.285 -9.825 -0.885 1.00 0.00 N ATOM 444 CA LEU A 160 2.734 -9.672 -0.951 1.00 0.00 C ATOM 445 C LEU A 160 3.366 -9.865 0.424 1.00 0.00 C ATOM 446 O LEU A 160 4.581 -10.022 0.543 1.00 0.00 O ATOM 447 CB LEU A 160 3.096 -8.292 -1.502 1.00 0.00 C ATOM 448 CG LEU A 160 3.583 -7.267 -0.477 1.00 0.00 C ATOM 449 CD1 LEU A 160 4.042 -5.994 -1.172 1.00 0.00 C ATOM 450 CD2 LEU A 160 2.487 -6.959 0.532 1.00 0.00 C ATOM 0 H LEU A 160 0.763 -8.960 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 160 3.125 -10.438 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 160 3.871 -8.417 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 160 2.221 -7.883 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 160 4.432 -7.692 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 160 4.385 -5.276 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.859 -6.227 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.211 -5.566 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.852 -6.228 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.618 -6.555 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.205 -7.874 1.053 1.00 0.00 H new ATOM 462 N HIS A 161 2.532 -9.854 1.459 1.00 0.00 N ATOM 463 CA HIS A 161 3.009 -10.031 2.826 1.00 0.00 C ATOM 464 C HIS A 161 3.844 -11.301 2.950 1.00 0.00 C ATOM 465 O HIS A 161 4.889 -11.309 3.602 1.00 0.00 O ATOM 466 CB HIS A 161 1.829 -10.085 3.797 1.00 0.00 C ATOM 467 CG HIS A 161 1.675 -8.845 4.623 1.00 0.00 C ATOM 468 ND1 HIS A 161 2.614 -8.433 5.544 1.00 0.00 N ATOM 469 CD2 HIS A 161 0.684 -7.924 4.660 1.00 0.00 C ATOM 470 CE1 HIS A 161 2.206 -7.313 6.114 1.00 0.00 C ATOM 471 NE2 HIS A 161 1.038 -6.983 5.595 1.00 0.00 N ATOM 0 H HIS A 161 1.524 -9.725 1.377 1.00 0.00 H new ATOM 0 HA HIS A 161 3.639 -9.178 3.078 1.00 0.00 H new ATOM 0 HB2 HIS A 161 0.912 -10.251 3.232 1.00 0.00 H new ATOM 0 HB3 HIS A 161 1.954 -10.940 4.461 1.00 0.00 H new ATOM 0 HD1 HIS A 161 3.487 -8.917 5.753 1.00 0.00 H new ATOM 0 HD2 HIS A 161 -0.217 -7.928 4.065 1.00 0.00 H new ATOM 0 HE1 HIS A 161 2.738 -6.761 6.875 1.00 0.00 H new ATOM 479 N THR A 162 3.377 -12.375 2.321 1.00 0.00 N ATOM 480 CA THR A 162 4.079 -13.651 2.363 1.00 0.00 C ATOM 481 C THR A 162 5.334 -13.617 1.498 1.00 0.00 C ATOM 482 O THR A 162 5.269 -13.326 0.304 1.00 0.00 O ATOM 483 CB THR A 162 3.175 -14.806 1.891 1.00 0.00 C ATOM 484 OG1 THR A 162 3.915 -16.032 1.874 1.00 0.00 O ATOM 485 CG2 THR A 162 2.618 -14.524 0.504 1.00 0.00 C ATOM 0 H THR A 162 2.515 -12.386 1.776 1.00 0.00 H new ATOM 0 HA THR A 162 4.361 -13.822 3.402 1.00 0.00 H new ATOM 0 HB THR A 162 2.342 -14.895 2.588 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.333 -16.761 1.575 1.00 0.00 H new ATOM 0 HG21 THR A 162 1.983 -15.353 0.192 1.00 0.00 H new ATOM 0 HG22 THR A 162 2.031 -13.606 0.527 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.440 -14.411 -0.202 1.00 0.00 H new ATOM 493 N GLY A 163 6.477 -13.917 2.108 1.00 0.00 N ATOM 494 CA GLY A 163 7.730 -13.915 1.377 1.00 0.00 C ATOM 495 C GLY A 163 8.303 -12.521 1.213 1.00 0.00 C ATOM 496 O GLY A 163 7.566 -11.562 0.988 1.00 0.00 O ATOM 0 H GLY A 163 6.557 -14.161 3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 163 8.453 -14.542 1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 163 7.574 -14.359 0.394 1.00 0.00 H new ATOM 500 N SER A 164 9.623 -12.409 1.327 1.00 0.00 N ATOM 501 CA SER A 164 10.294 -11.121 1.195 1.00 0.00 C ATOM 502 C SER A 164 9.745 -10.116 2.203 1.00 0.00 C ATOM 503 O SER A 164 8.745 -9.447 1.948 1.00 0.00 O ATOM 504 CB SER A 164 10.127 -10.578 -0.225 1.00 0.00 C ATOM 505 OG SER A 164 10.400 -11.580 -1.189 1.00 0.00 O ATOM 0 H SER A 164 10.248 -13.194 1.510 1.00 0.00 H new ATOM 0 HA SER A 164 11.355 -11.270 1.397 1.00 0.00 H new ATOM 0 HB2 SER A 164 9.111 -10.207 -0.359 1.00 0.00 H new ATOM 0 HB3 SER A 164 10.797 -9.732 -0.375 1.00 0.00 H new ATOM 0 HG SER A 164 10.285 -11.209 -2.089 1.00 0.00 H new ATOM 511 N GLY A 165 10.408 -10.017 3.352 1.00 0.00 N ATOM 512 CA GLY A 165 9.972 -9.092 4.382 1.00 0.00 C ATOM 513 C GLY A 165 10.869 -7.875 4.486 1.00 0.00 C ATOM 514 O GLY A 165 11.828 -7.718 3.730 1.00 0.00 O ATOM 0 H GLY A 165 11.238 -10.560 3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 165 8.952 -8.771 4.169 1.00 0.00 H new ATOM 0 HA3 GLY A 165 9.950 -9.607 5.343 1.00 0.00 H new ATOM 518 N PRO A 166 10.558 -6.985 5.440 1.00 0.00 N ATOM 519 CA PRO A 166 11.331 -5.759 5.662 1.00 0.00 C ATOM 520 C PRO A 166 12.714 -6.042 6.238 1.00 0.00 C ATOM 521 O PRO A 166 13.713 -5.489 5.778 1.00 0.00 O ATOM 522 CB PRO A 166 10.481 -4.981 6.669 1.00 0.00 C ATOM 523 CG PRO A 166 9.693 -6.024 7.385 1.00 0.00 C ATOM 524 CD PRO A 166 9.429 -7.108 6.377 1.00 0.00 C ATOM 0 HA PRO A 166 11.515 -5.220 4.733 1.00 0.00 H new ATOM 0 HB2 PRO A 166 11.105 -4.413 7.359 1.00 0.00 H new ATOM 0 HB3 PRO A 166 9.828 -4.266 6.168 1.00 0.00 H new ATOM 0 HG2 PRO A 166 10.246 -6.413 8.240 1.00 0.00 H new ATOM 0 HG3 PRO A 166 8.760 -5.613 7.769 1.00 0.00 H new ATOM 0 HD2 PRO A 166 9.400 -8.092 6.844 1.00 0.00 H new ATOM 0 HD3 PRO A 166 8.472 -6.965 5.874 1.00 0.00 H new ATOM 532 N SER A 167 12.765 -6.905 7.247 1.00 0.00 N ATOM 533 CA SER A 167 14.026 -7.258 7.889 1.00 0.00 C ATOM 534 C SER A 167 13.917 -8.606 8.595 1.00 0.00 C ATOM 535 O SER A 167 14.672 -9.534 8.305 1.00 0.00 O ATOM 536 CB SER A 167 14.433 -6.176 8.891 1.00 0.00 C ATOM 537 OG SER A 167 14.497 -4.904 8.269 1.00 0.00 O ATOM 0 H SER A 167 11.947 -7.373 7.638 1.00 0.00 H new ATOM 0 HA SER A 167 14.791 -7.333 7.116 1.00 0.00 H new ATOM 0 HB2 SER A 167 13.716 -6.148 9.712 1.00 0.00 H new ATOM 0 HB3 SER A 167 15.403 -6.422 9.323 1.00 0.00 H new ATOM 0 HG SER A 167 14.562 -5.018 7.298 1.00 0.00 H new ATOM 543 N SER A 168 12.972 -8.706 9.525 1.00 0.00 N ATOM 544 CA SER A 168 12.765 -9.938 10.276 1.00 0.00 C ATOM 545 C SER A 168 11.477 -10.630 9.842 1.00 0.00 C ATOM 546 O SER A 168 11.350 -11.849 9.940 1.00 0.00 O ATOM 547 CB SER A 168 12.719 -9.644 11.777 1.00 0.00 C ATOM 548 OG SER A 168 11.782 -8.621 12.067 1.00 0.00 O ATOM 0 H SER A 168 12.338 -7.948 9.776 1.00 0.00 H new ATOM 0 HA SER A 168 13.602 -10.605 10.069 1.00 0.00 H new ATOM 0 HB2 SER A 168 12.453 -10.550 12.320 1.00 0.00 H new ATOM 0 HB3 SER A 168 13.708 -9.344 12.123 1.00 0.00 H new ATOM 0 HG SER A 168 11.770 -8.453 13.032 1.00 0.00 H new ATOM 554 N GLY A 169 10.521 -9.840 9.362 1.00 0.00 N ATOM 555 CA GLY A 169 9.254 -10.392 8.920 1.00 0.00 C ATOM 556 C GLY A 169 8.530 -11.137 10.024 1.00 0.00 C ATOM 557 O GLY A 169 7.350 -10.874 10.250 1.00 0.00 O ATOM 0 H GLY A 169 10.602 -8.827 9.271 1.00 0.00 H new ATOM 0 HA2 GLY A 169 8.619 -9.586 8.552 1.00 0.00 H new ATOM 0 HA3 GLY A 169 9.428 -11.068 8.083 1.00 0.00 H new TER 561 GLY A 169 HETATM 562 ZN ZN A 201 0.235 -5.228 5.983 1.00 0.00 ZN