USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=15 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 150 GLN : amide:sc= 0 K(o=-0.21,f=-2.3!) USER MOD Set 1.2: A 153 SER OG : rot 180:sc= -0.212 USER MOD Set 2.1: A 137 LYS NZ :NH3+ 146:sc= 0.375 (180deg=-0.11) USER MOD Set 2.2: A 147 SER OG : rot 180:sc= -0.228 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 9:sc= 0.0597 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.665 USER MOD Single : A 140 GLN : amide:sc= 0.654 K(o=0.65,f=-0.058) USER MOD Single : A 142 LYS NZ :NH3+ -143:sc= 0.194 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0107) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 164 SER OG : rot 28:sc= 0.0572 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 2.657 16.640 5.265 1.00 0.00 N ATOM 2 CA GLY A 129 3.551 16.771 4.129 1.00 0.00 C ATOM 3 C GLY A 129 3.195 15.825 2.999 1.00 0.00 C ATOM 4 O GLY A 129 2.268 16.085 2.232 1.00 0.00 O ATOM 0 HA2 GLY A 129 3.520 17.797 3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 129 4.574 16.578 4.452 1.00 0.00 H new ATOM 8 N SER A 130 3.933 14.725 2.896 1.00 0.00 N ATOM 9 CA SER A 130 3.694 13.739 1.848 1.00 0.00 C ATOM 10 C SER A 130 3.270 12.402 2.447 1.00 0.00 C ATOM 11 O SER A 130 2.334 11.763 1.967 1.00 0.00 O ATOM 12 CB SER A 130 4.951 13.554 0.996 1.00 0.00 C ATOM 13 OG SER A 130 6.092 13.345 1.810 1.00 0.00 O ATOM 0 H SER A 130 4.702 14.494 3.525 1.00 0.00 H new ATOM 0 HA SER A 130 2.886 14.106 1.215 1.00 0.00 H new ATOM 0 HB2 SER A 130 4.818 12.705 0.326 1.00 0.00 H new ATOM 0 HB3 SER A 130 5.103 14.433 0.370 1.00 0.00 H new ATOM 0 HG SER A 130 6.882 13.228 1.242 1.00 0.00 H new ATOM 19 N SER A 131 3.966 11.985 3.500 1.00 0.00 N ATOM 20 CA SER A 131 3.666 10.722 4.163 1.00 0.00 C ATOM 21 C SER A 131 2.478 10.873 5.108 1.00 0.00 C ATOM 22 O SER A 131 1.651 9.972 5.234 1.00 0.00 O ATOM 23 CB SER A 131 4.888 10.225 4.938 1.00 0.00 C ATOM 24 OG SER A 131 5.531 9.165 4.252 1.00 0.00 O ATOM 0 H SER A 131 4.742 12.504 3.912 1.00 0.00 H new ATOM 0 HA SER A 131 3.408 9.991 3.397 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.589 11.047 5.083 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.582 9.888 5.929 1.00 0.00 H new ATOM 0 HG SER A 131 6.309 8.867 4.767 1.00 0.00 H new ATOM 30 N GLY A 132 2.401 12.023 5.772 1.00 0.00 N ATOM 31 CA GLY A 132 1.311 12.274 6.698 1.00 0.00 C ATOM 32 C GLY A 132 -0.037 12.325 6.006 1.00 0.00 C ATOM 33 O GLY A 132 -0.234 13.104 5.074 1.00 0.00 O ATOM 0 H GLY A 132 3.074 12.785 5.685 1.00 0.00 H new ATOM 0 HA2 GLY A 132 1.297 11.493 7.458 1.00 0.00 H new ATOM 0 HA3 GLY A 132 1.487 13.218 7.214 1.00 0.00 H new ATOM 37 N SER A 133 -0.966 11.492 6.463 1.00 0.00 N ATOM 38 CA SER A 133 -2.301 11.442 5.878 1.00 0.00 C ATOM 39 C SER A 133 -3.357 11.201 6.953 1.00 0.00 C ATOM 40 O SER A 133 -3.745 10.062 7.213 1.00 0.00 O ATOM 41 CB SER A 133 -2.376 10.341 4.819 1.00 0.00 C ATOM 42 OG SER A 133 -1.758 10.752 3.612 1.00 0.00 O ATOM 0 H SER A 133 -0.819 10.843 7.236 1.00 0.00 H new ATOM 0 HA SER A 133 -2.500 12.404 5.407 1.00 0.00 H new ATOM 0 HB2 SER A 133 -1.890 9.440 5.192 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.418 10.085 4.629 1.00 0.00 H new ATOM 0 HG SER A 133 -1.287 11.599 3.758 1.00 0.00 H new ATOM 48 N SER A 134 -3.816 12.282 7.576 1.00 0.00 N ATOM 49 CA SER A 134 -4.823 12.189 8.626 1.00 0.00 C ATOM 50 C SER A 134 -6.169 11.756 8.051 1.00 0.00 C ATOM 51 O SER A 134 -6.599 12.248 7.009 1.00 0.00 O ATOM 52 CB SER A 134 -4.971 13.534 9.341 1.00 0.00 C ATOM 53 OG SER A 134 -4.117 13.607 10.469 1.00 0.00 O ATOM 0 H SER A 134 -3.506 13.232 7.372 1.00 0.00 H new ATOM 0 HA SER A 134 -4.495 11.438 9.344 1.00 0.00 H new ATOM 0 HB2 SER A 134 -4.737 14.344 8.651 1.00 0.00 H new ATOM 0 HB3 SER A 134 -6.006 13.671 9.655 1.00 0.00 H new ATOM 0 HG SER A 134 -4.228 14.476 10.908 1.00 0.00 H new ATOM 59 N GLY A 135 -6.828 10.829 8.740 1.00 0.00 N ATOM 60 CA GLY A 135 -8.118 10.344 8.284 1.00 0.00 C ATOM 61 C GLY A 135 -8.174 8.831 8.210 1.00 0.00 C ATOM 62 O GLY A 135 -7.207 8.187 7.805 1.00 0.00 O ATOM 0 H GLY A 135 -6.492 10.406 9.605 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -8.896 10.701 8.958 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -8.333 10.761 7.300 1.00 0.00 H new ATOM 66 N GLU A 136 -9.310 8.263 8.602 1.00 0.00 N ATOM 67 CA GLU A 136 -9.487 6.815 8.580 1.00 0.00 C ATOM 68 C GLU A 136 -9.781 6.325 7.165 1.00 0.00 C ATOM 69 O GLU A 136 -10.258 7.081 6.320 1.00 0.00 O ATOM 70 CB GLU A 136 -10.622 6.404 9.520 1.00 0.00 C ATOM 71 CG GLU A 136 -10.297 6.603 10.991 1.00 0.00 C ATOM 72 CD GLU A 136 -9.387 5.521 11.540 1.00 0.00 C ATOM 73 OE1 GLU A 136 -9.678 4.329 11.308 1.00 0.00 O ATOM 74 OE2 GLU A 136 -8.385 5.866 12.200 1.00 0.00 O ATOM 0 H GLU A 136 -10.121 8.782 8.938 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.559 6.355 8.920 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.514 6.980 9.273 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -10.862 5.355 9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -9.822 7.575 11.126 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -11.224 6.619 11.565 1.00 0.00 H new ATOM 81 N LYS A 137 -9.491 5.052 6.915 1.00 0.00 N ATOM 82 CA LYS A 137 -9.723 4.458 5.604 1.00 0.00 C ATOM 83 C LYS A 137 -10.711 3.300 5.699 1.00 0.00 C ATOM 84 O LYS A 137 -10.877 2.679 6.749 1.00 0.00 O ATOM 85 CB LYS A 137 -8.404 3.969 5.002 1.00 0.00 C ATOM 86 CG LYS A 137 -7.476 5.093 4.577 1.00 0.00 C ATOM 87 CD LYS A 137 -6.448 4.615 3.564 1.00 0.00 C ATOM 88 CE LYS A 137 -5.492 5.731 3.172 1.00 0.00 C ATOM 89 NZ LYS A 137 -4.605 6.124 4.302 1.00 0.00 N ATOM 0 H LYS A 137 -9.095 4.412 7.604 1.00 0.00 H new ATOM 0 HA LYS A 137 -10.149 5.224 4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -7.891 3.342 5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -8.620 3.341 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -8.061 5.906 4.147 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -6.966 5.495 5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.884 3.781 3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.957 4.242 2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -4.883 5.408 2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -6.063 6.598 2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -3.673 6.400 3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -5.027 6.927 4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -4.495 5.320 4.953 1.00 0.00 H new ATOM 103 N PRO A 138 -11.383 3.000 4.577 1.00 0.00 N ATOM 104 CA PRO A 138 -12.364 1.913 4.509 1.00 0.00 C ATOM 105 C PRO A 138 -11.714 0.538 4.604 1.00 0.00 C ATOM 106 O PRO A 138 -12.392 -0.467 4.820 1.00 0.00 O ATOM 107 CB PRO A 138 -13.011 2.105 3.135 1.00 0.00 C ATOM 108 CG PRO A 138 -11.980 2.815 2.327 1.00 0.00 C ATOM 109 CD PRO A 138 -11.235 3.698 3.289 1.00 0.00 C ATOM 0 HA PRO A 138 -13.071 1.950 5.338 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -13.277 1.148 2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -13.929 2.689 3.208 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -11.306 2.107 1.845 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -12.442 3.404 1.535 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -10.187 3.805 3.008 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -11.659 4.701 3.325 1.00 0.00 H new ATOM 117 N TYR A 139 -10.396 0.499 4.442 1.00 0.00 N ATOM 118 CA TYR A 139 -9.654 -0.754 4.507 1.00 0.00 C ATOM 119 C TYR A 139 -8.452 -0.628 5.439 1.00 0.00 C ATOM 120 O TYR A 139 -7.852 0.440 5.552 1.00 0.00 O ATOM 121 CB TYR A 139 -9.189 -1.170 3.111 1.00 0.00 C ATOM 122 CG TYR A 139 -10.294 -1.167 2.079 1.00 0.00 C ATOM 123 CD1 TYR A 139 -11.262 -2.164 2.067 1.00 0.00 C ATOM 124 CD2 TYR A 139 -10.370 -0.169 1.116 1.00 0.00 C ATOM 125 CE1 TYR A 139 -12.273 -2.167 1.126 1.00 0.00 C ATOM 126 CE2 TYR A 139 -11.379 -0.163 0.172 1.00 0.00 C ATOM 127 CZ TYR A 139 -12.328 -1.164 0.181 1.00 0.00 C ATOM 128 OH TYR A 139 -13.333 -1.161 -0.759 1.00 0.00 O ATOM 0 H TYR A 139 -9.819 1.321 4.265 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.320 -1.520 4.904 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.397 -0.496 2.785 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -8.756 -2.169 3.164 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.223 -2.950 2.806 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.628 0.616 1.105 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -13.016 -2.950 1.130 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -11.424 0.621 -0.569 1.00 0.00 H new ATOM 0 HH TYR A 139 -13.227 -0.386 -1.349 1.00 0.00 H new ATOM 138 N GLN A 140 -8.108 -1.727 6.103 1.00 0.00 N ATOM 139 CA GLN A 140 -6.979 -1.740 7.025 1.00 0.00 C ATOM 140 C GLN A 140 -6.372 -3.136 7.123 1.00 0.00 C ATOM 141 O GLN A 140 -7.077 -4.114 7.374 1.00 0.00 O ATOM 142 CB GLN A 140 -7.418 -1.262 8.410 1.00 0.00 C ATOM 143 CG GLN A 140 -6.296 -1.254 9.435 1.00 0.00 C ATOM 144 CD GLN A 140 -6.654 -2.011 10.699 1.00 0.00 C ATOM 145 OE1 GLN A 140 -7.726 -1.813 11.272 1.00 0.00 O ATOM 146 NE2 GLN A 140 -5.757 -2.885 11.140 1.00 0.00 N ATOM 0 H GLN A 140 -8.595 -2.619 6.019 1.00 0.00 H new ATOM 0 HA GLN A 140 -6.219 -1.060 6.639 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -7.828 -0.256 8.325 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -8.222 -1.904 8.769 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.402 -1.695 8.993 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -6.050 -0.223 9.691 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -4.882 -3.017 10.633 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -5.943 -3.424 11.985 1.00 0.00 H new ATOM 155 N CYS A 141 -5.061 -3.221 6.925 1.00 0.00 N ATOM 156 CA CYS A 141 -4.359 -4.497 6.990 1.00 0.00 C ATOM 157 C CYS A 141 -4.356 -5.044 8.415 1.00 0.00 C ATOM 158 O CYS A 141 -4.149 -4.303 9.376 1.00 0.00 O ATOM 159 CB CYS A 141 -2.922 -4.339 6.490 1.00 0.00 C ATOM 160 SG CYS A 141 -2.054 -5.916 6.209 1.00 0.00 S ATOM 0 H CYS A 141 -4.463 -2.421 6.718 1.00 0.00 H new ATOM 0 HA CYS A 141 -4.884 -5.205 6.348 1.00 0.00 H new ATOM 0 HB2 CYS A 141 -2.933 -3.772 5.559 1.00 0.00 H new ATOM 0 HB3 CYS A 141 -2.359 -3.751 7.215 1.00 0.00 H new ATOM 165 N LYS A 142 -4.588 -6.346 8.543 1.00 0.00 N ATOM 166 CA LYS A 142 -4.611 -6.994 9.849 1.00 0.00 C ATOM 167 C LYS A 142 -3.331 -7.791 10.084 1.00 0.00 C ATOM 168 O LYS A 142 -3.327 -8.769 10.830 1.00 0.00 O ATOM 169 CB LYS A 142 -5.826 -7.917 9.962 1.00 0.00 C ATOM 170 CG LYS A 142 -5.799 -9.081 8.986 1.00 0.00 C ATOM 171 CD LYS A 142 -6.673 -8.812 7.773 1.00 0.00 C ATOM 172 CE LYS A 142 -6.552 -9.923 6.742 1.00 0.00 C ATOM 173 NZ LYS A 142 -7.754 -10.002 5.867 1.00 0.00 N ATOM 0 H LYS A 142 -4.763 -6.973 7.758 1.00 0.00 H new ATOM 0 HA LYS A 142 -4.680 -6.217 10.611 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.882 -8.307 10.978 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.732 -7.334 9.794 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -4.774 -9.263 8.664 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -6.141 -9.986 9.488 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.713 -8.716 8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.388 -7.862 7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -5.667 -9.754 6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -6.410 -10.876 7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.963 -10.998 5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -8.567 -9.574 6.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -7.573 -9.489 4.981 1.00 0.00 H new ATOM 187 N GLU A 143 -2.247 -7.363 9.443 1.00 0.00 N ATOM 188 CA GLU A 143 -0.962 -8.037 9.584 1.00 0.00 C ATOM 189 C GLU A 143 0.100 -7.078 10.113 1.00 0.00 C ATOM 190 O GLU A 143 0.990 -7.474 10.867 1.00 0.00 O ATOM 191 CB GLU A 143 -0.516 -8.619 8.241 1.00 0.00 C ATOM 192 CG GLU A 143 -1.609 -9.388 7.518 1.00 0.00 C ATOM 193 CD GLU A 143 -2.218 -10.481 8.374 1.00 0.00 C ATOM 194 OE1 GLU A 143 -1.571 -10.890 9.361 1.00 0.00 O ATOM 195 OE2 GLU A 143 -3.340 -10.928 8.059 1.00 0.00 O ATOM 0 H GLU A 143 -2.234 -6.554 8.822 1.00 0.00 H new ATOM 0 HA GLU A 143 -1.083 -8.849 10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -0.169 -7.808 7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 143 0.334 -9.281 8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -2.392 -8.695 7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -1.198 -9.830 6.610 1.00 0.00 H new ATOM 202 N CYS A 144 0.001 -5.815 9.712 1.00 0.00 N ATOM 203 CA CYS A 144 0.952 -4.798 10.143 1.00 0.00 C ATOM 204 C CYS A 144 0.227 -3.573 10.693 1.00 0.00 C ATOM 205 O CYS A 144 0.672 -2.958 11.661 1.00 0.00 O ATOM 206 CB CYS A 144 1.856 -4.389 8.979 1.00 0.00 C ATOM 207 SG CYS A 144 0.955 -3.828 7.499 1.00 0.00 S ATOM 0 H CYS A 144 -0.729 -5.471 9.088 1.00 0.00 H new ATOM 0 HA CYS A 144 1.565 -5.223 10.938 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.520 -3.591 9.312 1.00 0.00 H new ATOM 0 HB3 CYS A 144 2.487 -5.236 8.708 1.00 0.00 H new ATOM 212 N GLY A 145 -0.894 -3.226 10.068 1.00 0.00 N ATOM 213 CA GLY A 145 -1.663 -2.076 10.509 1.00 0.00 C ATOM 214 C GLY A 145 -1.797 -1.020 9.430 1.00 0.00 C ATOM 215 O GLY A 145 -2.115 0.134 9.716 1.00 0.00 O ATOM 0 H GLY A 145 -1.283 -3.720 9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.656 -2.403 10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -1.185 -1.637 11.385 1.00 0.00 H new ATOM 219 N LYS A 146 -1.552 -1.414 8.185 1.00 0.00 N ATOM 220 CA LYS A 146 -1.647 -0.494 7.058 1.00 0.00 C ATOM 221 C LYS A 146 -3.102 -0.153 6.754 1.00 0.00 C ATOM 222 O LYS A 146 -4.017 -0.666 7.398 1.00 0.00 O ATOM 223 CB LYS A 146 -0.985 -1.103 5.819 1.00 0.00 C ATOM 224 CG LYS A 146 0.288 -0.390 5.397 1.00 0.00 C ATOM 225 CD LYS A 146 0.335 -0.175 3.893 1.00 0.00 C ATOM 226 CE LYS A 146 0.959 1.166 3.541 1.00 0.00 C ATOM 227 NZ LYS A 146 0.028 2.298 3.807 1.00 0.00 N ATOM 0 H LYS A 146 -1.286 -2.365 7.931 1.00 0.00 H new ATOM 0 HA LYS A 146 -1.126 0.425 7.327 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.756 -2.150 6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -1.694 -1.083 4.991 1.00 0.00 H new ATOM 0 HG2 LYS A 146 0.353 0.572 5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.154 -0.974 5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 146 0.907 -0.977 3.427 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.675 -0.226 3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 146 1.873 1.304 4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 146 1.243 1.169 2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 0.442 3.181 3.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -0.879 2.121 3.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -0.130 2.384 4.831 1.00 0.00 H new ATOM 241 N SER A 147 -3.309 0.716 5.770 1.00 0.00 N ATOM 242 CA SER A 147 -4.653 1.127 5.383 1.00 0.00 C ATOM 243 C SER A 147 -4.680 1.601 3.933 1.00 0.00 C ATOM 244 O SER A 147 -3.806 2.351 3.497 1.00 0.00 O ATOM 245 CB SER A 147 -5.154 2.240 6.305 1.00 0.00 C ATOM 246 OG SER A 147 -4.636 3.499 5.912 1.00 0.00 O ATOM 0 H SER A 147 -2.563 1.149 5.226 1.00 0.00 H new ATOM 0 HA SER A 147 -5.311 0.263 5.477 1.00 0.00 H new ATOM 0 HB2 SER A 147 -6.243 2.269 6.286 1.00 0.00 H new ATOM 0 HB3 SER A 147 -4.859 2.026 7.332 1.00 0.00 H new ATOM 0 HG SER A 147 -4.972 4.194 6.516 1.00 0.00 H new ATOM 252 N PHE A 148 -5.689 1.159 3.191 1.00 0.00 N ATOM 253 CA PHE A 148 -5.831 1.536 1.789 1.00 0.00 C ATOM 254 C PHE A 148 -7.232 2.072 1.509 1.00 0.00 C ATOM 255 O PHE A 148 -8.147 1.897 2.313 1.00 0.00 O ATOM 256 CB PHE A 148 -5.541 0.337 0.884 1.00 0.00 C ATOM 257 CG PHE A 148 -4.137 -0.182 1.008 1.00 0.00 C ATOM 258 CD1 PHE A 148 -3.783 -1.019 2.054 1.00 0.00 C ATOM 259 CD2 PHE A 148 -3.171 0.168 0.078 1.00 0.00 C ATOM 260 CE1 PHE A 148 -2.492 -1.499 2.170 1.00 0.00 C ATOM 261 CE2 PHE A 148 -1.878 -0.309 0.190 1.00 0.00 C ATOM 262 CZ PHE A 148 -1.538 -1.142 1.237 1.00 0.00 C ATOM 0 H PHE A 148 -6.421 0.539 3.537 1.00 0.00 H new ATOM 0 HA PHE A 148 -5.110 2.325 1.576 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -6.239 -0.466 1.123 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -5.725 0.621 -0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -4.525 -1.300 2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -3.431 0.820 -0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -2.230 -2.152 2.989 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -1.134 -0.030 -0.542 1.00 0.00 H new ATOM 0 HZ PHE A 148 -0.528 -1.514 1.326 1.00 0.00 H new ATOM 272 N SER A 149 -7.391 2.727 0.363 1.00 0.00 N ATOM 273 CA SER A 149 -8.678 3.293 -0.022 1.00 0.00 C ATOM 274 C SER A 149 -9.274 2.532 -1.203 1.00 0.00 C ATOM 275 O SER A 149 -10.163 3.033 -1.891 1.00 0.00 O ATOM 276 CB SER A 149 -8.522 4.772 -0.379 1.00 0.00 C ATOM 277 OG SER A 149 -8.197 4.934 -1.749 1.00 0.00 O ATOM 0 H SER A 149 -6.644 2.879 -0.315 1.00 0.00 H new ATOM 0 HA SER A 149 -9.356 3.202 0.826 1.00 0.00 H new ATOM 0 HB2 SER A 149 -9.448 5.303 -0.156 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.742 5.218 0.238 1.00 0.00 H new ATOM 0 HG SER A 149 -8.104 5.888 -1.953 1.00 0.00 H new ATOM 283 N GLN A 150 -8.778 1.321 -1.430 1.00 0.00 N ATOM 284 CA GLN A 150 -9.260 0.491 -2.527 1.00 0.00 C ATOM 285 C GLN A 150 -9.225 -0.986 -2.150 1.00 0.00 C ATOM 286 O GLN A 150 -8.187 -1.507 -1.741 1.00 0.00 O ATOM 287 CB GLN A 150 -8.419 0.729 -3.783 1.00 0.00 C ATOM 288 CG GLN A 150 -8.156 2.199 -4.069 1.00 0.00 C ATOM 289 CD GLN A 150 -7.705 2.444 -5.495 1.00 0.00 C ATOM 290 OE1 GLN A 150 -6.550 2.200 -5.845 1.00 0.00 O ATOM 291 NE2 GLN A 150 -8.618 2.930 -6.329 1.00 0.00 N ATOM 0 H GLN A 150 -8.042 0.892 -0.869 1.00 0.00 H new ATOM 0 HA GLN A 150 -10.294 0.770 -2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.465 0.212 -3.675 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -8.927 0.286 -4.640 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -9.064 2.771 -3.876 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.394 2.568 -3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -9.564 3.118 -5.997 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -8.373 3.115 -7.302 1.00 0.00 H new ATOM 300 N ARG A 151 -10.365 -1.655 -2.289 1.00 0.00 N ATOM 301 CA ARG A 151 -10.464 -3.072 -1.961 1.00 0.00 C ATOM 302 C ARG A 151 -9.380 -3.873 -2.676 1.00 0.00 C ATOM 303 O ARG A 151 -8.872 -4.860 -2.146 1.00 0.00 O ATOM 304 CB ARG A 151 -11.845 -3.610 -2.342 1.00 0.00 C ATOM 305 CG ARG A 151 -11.997 -5.106 -2.123 1.00 0.00 C ATOM 306 CD ARG A 151 -13.165 -5.417 -1.199 1.00 0.00 C ATOM 307 NE ARG A 151 -14.365 -5.792 -1.941 1.00 0.00 N ATOM 308 CZ ARG A 151 -15.501 -6.166 -1.362 1.00 0.00 C ATOM 309 NH1 ARG A 151 -15.590 -6.213 -0.040 1.00 0.00 N ATOM 310 NH2 ARG A 151 -16.550 -6.492 -2.105 1.00 0.00 N ATOM 0 H ARG A 151 -11.233 -1.238 -2.626 1.00 0.00 H new ATOM 0 HA ARG A 151 -10.322 -3.181 -0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -12.603 -3.087 -1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -12.037 -3.383 -3.391 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -12.148 -5.602 -3.082 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -11.078 -5.508 -1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -12.888 -6.227 -0.525 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -13.379 -4.546 -0.580 1.00 0.00 H new ATOM 0 HE ARG A 151 -14.329 -5.765 -2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -14.786 -5.962 0.535 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -16.463 -6.500 0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -16.485 -6.456 -3.122 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -17.421 -6.779 -1.659 1.00 0.00 H new ATOM 324 N GLY A 152 -9.030 -3.440 -3.884 1.00 0.00 N ATOM 325 CA GLY A 152 -8.009 -4.128 -4.651 1.00 0.00 C ATOM 326 C GLY A 152 -6.607 -3.806 -4.171 1.00 0.00 C ATOM 327 O GLY A 152 -5.747 -4.685 -4.113 1.00 0.00 O ATOM 0 H GLY A 152 -9.436 -2.625 -4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -8.174 -5.204 -4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -8.102 -3.854 -5.702 1.00 0.00 H new ATOM 331 N SER A 153 -6.376 -2.543 -3.828 1.00 0.00 N ATOM 332 CA SER A 153 -5.067 -2.106 -3.356 1.00 0.00 C ATOM 333 C SER A 153 -4.657 -2.875 -2.103 1.00 0.00 C ATOM 334 O SER A 153 -3.546 -3.398 -2.017 1.00 0.00 O ATOM 335 CB SER A 153 -5.082 -0.605 -3.064 1.00 0.00 C ATOM 336 OG SER A 153 -5.141 0.147 -4.264 1.00 0.00 O ATOM 0 H SER A 153 -7.078 -1.804 -3.868 1.00 0.00 H new ATOM 0 HA SER A 153 -4.339 -2.309 -4.141 1.00 0.00 H new ATOM 0 HB2 SER A 153 -5.939 -0.362 -2.436 1.00 0.00 H new ATOM 0 HB3 SER A 153 -4.188 -0.331 -2.503 1.00 0.00 H new ATOM 0 HG SER A 153 -5.151 1.103 -4.051 1.00 0.00 H new ATOM 342 N LEU A 154 -5.563 -2.939 -1.134 1.00 0.00 N ATOM 343 CA LEU A 154 -5.298 -3.644 0.116 1.00 0.00 C ATOM 344 C LEU A 154 -4.879 -5.086 -0.151 1.00 0.00 C ATOM 345 O LEU A 154 -3.877 -5.561 0.383 1.00 0.00 O ATOM 346 CB LEU A 154 -6.537 -3.618 1.012 1.00 0.00 C ATOM 347 CG LEU A 154 -6.567 -4.644 2.146 1.00 0.00 C ATOM 348 CD1 LEU A 154 -5.425 -4.398 3.119 1.00 0.00 C ATOM 349 CD2 LEU A 154 -7.905 -4.600 2.869 1.00 0.00 C ATOM 0 H LEU A 154 -6.487 -2.512 -1.189 1.00 0.00 H new ATOM 0 HA LEU A 154 -4.479 -3.135 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -6.625 -2.623 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.416 -3.772 0.387 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.442 -5.637 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.463 -5.138 3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.474 -4.481 2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.518 -3.399 3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.909 -5.336 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -8.060 -3.606 3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.706 -4.827 2.166 1.00 0.00 H new ATOM 361 N ALA A 155 -5.652 -5.778 -0.982 1.00 0.00 N ATOM 362 CA ALA A 155 -5.360 -7.164 -1.323 1.00 0.00 C ATOM 363 C ALA A 155 -3.913 -7.324 -1.778 1.00 0.00 C ATOM 364 O ALA A 155 -3.195 -8.203 -1.302 1.00 0.00 O ATOM 365 CB ALA A 155 -6.313 -7.655 -2.402 1.00 0.00 C ATOM 0 H ALA A 155 -6.486 -5.400 -1.432 1.00 0.00 H new ATOM 0 HA ALA A 155 -5.501 -7.770 -0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -6.083 -8.692 -2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -7.339 -7.587 -2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -6.201 -7.039 -3.294 1.00 0.00 H new ATOM 371 N VAL A 156 -3.492 -6.469 -2.705 1.00 0.00 N ATOM 372 CA VAL A 156 -2.131 -6.515 -3.225 1.00 0.00 C ATOM 373 C VAL A 156 -1.108 -6.419 -2.098 1.00 0.00 C ATOM 374 O VAL A 156 0.002 -6.942 -2.206 1.00 0.00 O ATOM 375 CB VAL A 156 -1.876 -5.378 -4.233 1.00 0.00 C ATOM 376 CG1 VAL A 156 -0.483 -5.497 -4.832 1.00 0.00 C ATOM 377 CG2 VAL A 156 -2.937 -5.385 -5.323 1.00 0.00 C ATOM 0 H VAL A 156 -4.074 -5.736 -3.111 1.00 0.00 H new ATOM 0 HA VAL A 156 -2.019 -7.473 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.937 -4.427 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -0.321 -4.685 -5.541 1.00 0.00 H new ATOM 0 HG12 VAL A 156 0.261 -5.438 -4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -0.389 -6.453 -5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -2.742 -4.575 -6.026 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -2.910 -6.338 -5.851 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.921 -5.246 -4.874 1.00 0.00 H new ATOM 387 N HIS A 157 -1.489 -5.747 -1.016 1.00 0.00 N ATOM 388 CA HIS A 157 -0.606 -5.583 0.132 1.00 0.00 C ATOM 389 C HIS A 157 -0.799 -6.719 1.133 1.00 0.00 C ATOM 390 O HIS A 157 0.042 -6.941 2.004 1.00 0.00 O ATOM 391 CB HIS A 157 -0.863 -4.239 0.813 1.00 0.00 C ATOM 392 CG HIS A 157 -0.160 -4.088 2.127 1.00 0.00 C ATOM 393 ND1 HIS A 157 1.080 -3.498 2.253 1.00 0.00 N ATOM 394 CD2 HIS A 157 -0.530 -4.453 3.376 1.00 0.00 C ATOM 395 CE1 HIS A 157 1.443 -3.508 3.523 1.00 0.00 C ATOM 396 NE2 HIS A 157 0.483 -4.081 4.226 1.00 0.00 N ATOM 0 H HIS A 157 -2.403 -5.307 -0.911 1.00 0.00 H new ATOM 0 HA HIS A 157 0.423 -5.609 -0.227 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -0.546 -3.437 0.147 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -1.935 -4.119 0.968 1.00 0.00 H new ATOM 0 HD1 HIS A 157 1.631 -3.114 1.485 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -1.450 -4.945 3.653 1.00 0.00 H new ATOM 0 HE1 HIS A 157 2.368 -3.115 3.919 1.00 0.00 H new ATOM 404 N GLU A 158 -1.913 -7.433 1.002 1.00 0.00 N ATOM 405 CA GLU A 158 -2.216 -8.544 1.897 1.00 0.00 C ATOM 406 C GLU A 158 -1.693 -9.860 1.327 1.00 0.00 C ATOM 407 O GLU A 158 -1.631 -10.871 2.027 1.00 0.00 O ATOM 408 CB GLU A 158 -3.725 -8.641 2.132 1.00 0.00 C ATOM 409 CG GLU A 158 -4.328 -7.387 2.741 1.00 0.00 C ATOM 410 CD GLU A 158 -5.249 -7.689 3.907 1.00 0.00 C ATOM 411 OE1 GLU A 158 -6.289 -8.345 3.687 1.00 0.00 O ATOM 412 OE2 GLU A 158 -4.929 -7.269 5.039 1.00 0.00 O ATOM 0 H GLU A 158 -2.619 -7.262 0.286 1.00 0.00 H new ATOM 0 HA GLU A 158 -1.718 -8.357 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.219 -8.848 1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -3.928 -9.487 2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -3.526 -6.729 3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -4.884 -6.847 1.975 1.00 0.00 H new ATOM 419 N ARG A 159 -1.320 -9.839 0.051 1.00 0.00 N ATOM 420 CA ARG A 159 -0.805 -11.029 -0.614 1.00 0.00 C ATOM 421 C ARG A 159 0.720 -11.006 -0.665 1.00 0.00 C ATOM 422 O ARG A 159 1.373 -12.038 -0.503 1.00 0.00 O ATOM 423 CB ARG A 159 -1.372 -11.134 -2.031 1.00 0.00 C ATOM 424 CG ARG A 159 -1.016 -9.951 -2.917 1.00 0.00 C ATOM 425 CD ARG A 159 0.155 -10.273 -3.832 1.00 0.00 C ATOM 426 NE ARG A 159 -0.137 -11.393 -4.723 1.00 0.00 N ATOM 427 CZ ARG A 159 0.660 -11.768 -5.717 1.00 0.00 C ATOM 428 NH1 ARG A 159 1.792 -11.118 -5.945 1.00 0.00 N ATOM 429 NH2 ARG A 159 0.325 -12.797 -6.485 1.00 0.00 N ATOM 0 H ARG A 159 -1.365 -9.011 -0.542 1.00 0.00 H new ATOM 0 HA ARG A 159 -1.119 -11.900 -0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -1.003 -12.049 -2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -2.457 -11.221 -1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -1.882 -9.671 -3.517 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -0.768 -9.091 -2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 159 0.404 -9.393 -4.426 1.00 0.00 H new ATOM 0 HD3 ARG A 159 1.032 -10.509 -3.229 1.00 0.00 H new ATOM 0 HE ARG A 159 -1.000 -11.916 -4.574 1.00 0.00 H new ATOM 0 HH11 ARG A 159 2.053 -10.327 -5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 159 2.402 -11.409 -6.709 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -0.545 -13.300 -6.312 1.00 0.00 H new ATOM 0 HH22 ARG A 159 0.938 -13.084 -7.248 1.00 0.00 H new ATOM 443 N LEU A 160 1.282 -9.824 -0.892 1.00 0.00 N ATOM 444 CA LEU A 160 2.730 -9.666 -0.965 1.00 0.00 C ATOM 445 C LEU A 160 3.368 -9.856 0.407 1.00 0.00 C ATOM 446 O LEU A 160 4.585 -10.010 0.522 1.00 0.00 O ATOM 447 CB LEU A 160 3.085 -8.285 -1.518 1.00 0.00 C ATOM 448 CG LEU A 160 3.574 -7.258 -0.496 1.00 0.00 C ATOM 449 CD1 LEU A 160 4.026 -5.984 -1.193 1.00 0.00 C ATOM 450 CD2 LEU A 160 2.482 -6.953 0.519 1.00 0.00 C ATOM 0 H LEU A 160 0.757 -8.961 -1.029 1.00 0.00 H new ATOM 0 HA LEU A 160 3.121 -10.431 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 160 3.857 -8.407 -2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 160 2.206 -7.879 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 160 4.428 -7.681 0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 160 4.370 -5.265 -0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.841 -6.214 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.191 -5.558 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.848 -6.220 1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.609 -6.552 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.206 -7.868 1.042 1.00 0.00 H new ATOM 462 N HIS A 161 2.540 -9.847 1.447 1.00 0.00 N ATOM 463 CA HIS A 161 3.023 -10.021 2.812 1.00 0.00 C ATOM 464 C HIS A 161 3.866 -11.287 2.932 1.00 0.00 C ATOM 465 O HIS A 161 4.930 -11.282 3.552 1.00 0.00 O ATOM 466 CB HIS A 161 1.848 -10.082 3.788 1.00 0.00 C ATOM 467 CG HIS A 161 1.692 -8.845 4.616 1.00 0.00 C ATOM 468 ND1 HIS A 161 2.631 -8.433 5.538 1.00 0.00 N ATOM 469 CD2 HIS A 161 0.699 -7.926 4.657 1.00 0.00 C ATOM 470 CE1 HIS A 161 2.222 -7.315 6.111 1.00 0.00 C ATOM 471 NE2 HIS A 161 1.052 -6.986 5.594 1.00 0.00 N ATOM 0 H HIS A 161 1.531 -9.721 1.370 1.00 0.00 H new ATOM 0 HA HIS A 161 3.648 -9.164 3.062 1.00 0.00 H new ATOM 0 HB2 HIS A 161 0.929 -10.252 3.227 1.00 0.00 H new ATOM 0 HB3 HIS A 161 1.980 -10.938 4.450 1.00 0.00 H new ATOM 0 HD1 HIS A 161 3.505 -8.916 5.745 1.00 0.00 H new ATOM 0 HD2 HIS A 161 -0.203 -7.931 4.063 1.00 0.00 H new ATOM 0 HE1 HIS A 161 2.754 -6.764 6.873 1.00 0.00 H new ATOM 479 N THR A 162 3.383 -12.373 2.335 1.00 0.00 N ATOM 480 CA THR A 162 4.091 -13.646 2.377 1.00 0.00 C ATOM 481 C THR A 162 5.416 -13.564 1.629 1.00 0.00 C ATOM 482 O THR A 162 5.504 -12.949 0.567 1.00 0.00 O ATOM 483 CB THR A 162 3.242 -14.780 1.771 1.00 0.00 C ATOM 484 OG1 THR A 162 3.989 -16.002 1.765 1.00 0.00 O ATOM 485 CG2 THR A 162 2.813 -14.436 0.353 1.00 0.00 C ATOM 0 H THR A 162 2.505 -12.396 1.817 1.00 0.00 H new ATOM 0 HA THR A 162 4.283 -13.866 3.427 1.00 0.00 H new ATOM 0 HB THR A 162 2.349 -14.903 2.384 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.442 -16.718 1.380 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.215 -15.251 -0.054 1.00 0.00 H new ATOM 0 HG22 THR A 162 2.220 -13.521 0.364 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.696 -14.288 -0.269 1.00 0.00 H new ATOM 493 N GLY A 163 6.447 -14.189 2.190 1.00 0.00 N ATOM 494 CA GLY A 163 7.755 -14.174 1.561 1.00 0.00 C ATOM 495 C GLY A 163 8.883 -14.085 2.571 1.00 0.00 C ATOM 496 O GLY A 163 9.575 -15.070 2.826 1.00 0.00 O ATOM 0 H GLY A 163 6.400 -14.705 3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 163 7.877 -15.077 0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 163 7.816 -13.328 0.877 1.00 0.00 H new ATOM 500 N SER A 164 9.068 -12.901 3.145 1.00 0.00 N ATOM 501 CA SER A 164 10.123 -12.685 4.129 1.00 0.00 C ATOM 502 C SER A 164 9.617 -12.969 5.540 1.00 0.00 C ATOM 503 O SER A 164 8.541 -12.518 5.928 1.00 0.00 O ATOM 504 CB SER A 164 10.646 -11.250 4.041 1.00 0.00 C ATOM 505 OG SER A 164 9.621 -10.316 4.332 1.00 0.00 O ATOM 0 H SER A 164 8.501 -12.076 2.946 1.00 0.00 H new ATOM 0 HA SER A 164 10.938 -13.375 3.909 1.00 0.00 H new ATOM 0 HB2 SER A 164 11.472 -11.117 4.739 1.00 0.00 H new ATOM 0 HB3 SER A 164 11.040 -11.063 3.042 1.00 0.00 H new ATOM 0 HG SER A 164 8.961 -10.729 4.928 1.00 0.00 H new ATOM 511 N GLY A 165 10.404 -13.721 6.304 1.00 0.00 N ATOM 512 CA GLY A 165 10.019 -14.053 7.663 1.00 0.00 C ATOM 513 C GLY A 165 11.212 -14.390 8.537 1.00 0.00 C ATOM 514 O GLY A 165 11.397 -15.532 8.958 1.00 0.00 O ATOM 0 H GLY A 165 11.300 -14.106 6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 165 9.478 -13.213 8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 165 9.333 -14.900 7.647 1.00 0.00 H new ATOM 518 N PRO A 166 12.047 -13.379 8.820 1.00 0.00 N ATOM 519 CA PRO A 166 13.243 -13.550 9.651 1.00 0.00 C ATOM 520 C PRO A 166 12.900 -13.807 11.114 1.00 0.00 C ATOM 521 O PRO A 166 11.734 -13.979 11.468 1.00 0.00 O ATOM 522 CB PRO A 166 13.973 -12.213 9.499 1.00 0.00 C ATOM 523 CG PRO A 166 12.903 -11.233 9.160 1.00 0.00 C ATOM 524 CD PRO A 166 11.887 -11.992 8.352 1.00 0.00 C ATOM 0 HA PRO A 166 13.835 -14.412 9.343 1.00 0.00 H new ATOM 0 HB2 PRO A 166 14.487 -11.936 10.420 1.00 0.00 H new ATOM 0 HB3 PRO A 166 14.728 -12.261 8.715 1.00 0.00 H new ATOM 0 HG2 PRO A 166 12.453 -10.819 10.062 1.00 0.00 H new ATOM 0 HG3 PRO A 166 13.307 -10.395 8.591 1.00 0.00 H new ATOM 0 HD2 PRO A 166 10.877 -11.623 8.527 1.00 0.00 H new ATOM 0 HD3 PRO A 166 12.077 -11.904 7.282 1.00 0.00 H new ATOM 532 N SER A 167 13.924 -13.831 11.962 1.00 0.00 N ATOM 533 CA SER A 167 13.731 -14.071 13.387 1.00 0.00 C ATOM 534 C SER A 167 13.076 -12.867 14.056 1.00 0.00 C ATOM 535 O SER A 167 12.359 -13.007 15.047 1.00 0.00 O ATOM 536 CB SER A 167 15.071 -14.377 14.060 1.00 0.00 C ATOM 537 OG SER A 167 15.133 -15.729 14.480 1.00 0.00 O ATOM 0 H SER A 167 14.895 -13.687 11.686 1.00 0.00 H new ATOM 0 HA SER A 167 13.071 -14.931 13.500 1.00 0.00 H new ATOM 0 HB2 SER A 167 15.886 -14.171 13.366 1.00 0.00 H new ATOM 0 HB3 SER A 167 15.209 -13.719 14.918 1.00 0.00 H new ATOM 0 HG SER A 167 15.999 -15.900 14.905 1.00 0.00 H new ATOM 543 N SER A 168 13.329 -11.682 13.508 1.00 0.00 N ATOM 544 CA SER A 168 12.768 -10.452 14.053 1.00 0.00 C ATOM 545 C SER A 168 11.500 -10.054 13.303 1.00 0.00 C ATOM 546 O SER A 168 10.392 -10.179 13.824 1.00 0.00 O ATOM 547 CB SER A 168 13.794 -9.321 13.977 1.00 0.00 C ATOM 548 OG SER A 168 14.796 -9.474 14.968 1.00 0.00 O ATOM 0 H SER A 168 13.919 -11.549 12.687 1.00 0.00 H new ATOM 0 HA SER A 168 12.511 -10.631 15.097 1.00 0.00 H new ATOM 0 HB2 SER A 168 14.254 -9.309 12.989 1.00 0.00 H new ATOM 0 HB3 SER A 168 13.293 -8.362 14.107 1.00 0.00 H new ATOM 0 HG SER A 168 15.441 -8.739 14.897 1.00 0.00 H new ATOM 554 N GLY A 169 11.672 -9.574 12.075 1.00 0.00 N ATOM 555 CA GLY A 169 10.534 -9.165 11.273 1.00 0.00 C ATOM 556 C GLY A 169 9.903 -7.881 11.774 1.00 0.00 C ATOM 557 O GLY A 169 10.519 -6.823 11.650 1.00 0.00 O ATOM 0 H GLY A 169 12.579 -9.461 11.622 1.00 0.00 H new ATOM 0 HA2 GLY A 169 10.852 -9.031 10.239 1.00 0.00 H new ATOM 0 HA3 GLY A 169 9.787 -9.959 11.276 1.00 0.00 H new TER 561 GLY A 169 HETATM 562 ZN ZN A 201 0.224 -5.217 5.978 1.00 0.00 ZN