USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=14 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 :FLIP amide:sc= 0.6 F(o=-0.17,f=1.1) USER MOD Set 1.2: A 153 SER OG : rot -170:sc= 0.495 USER MOD Set 2.1: A 137 LYS NZ :NH3+ -106:sc= 0.702 (180deg=0) USER MOD Set 2.2: A 147 SER OG : rot 180:sc= 0.0397 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 33:sc= 0.782 USER MOD Single : A 133 SER OG : rot 54:sc= 0.918 USER MOD Single : A 134 SER OG : rot 180:sc= -0.0169 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.678 USER MOD Single : A 140 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.1) 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 63:sc= 0.363 USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 164 SER OG : rot 180:sc= -0.0209 USER MOD Single : A 167 SER OG : rot 180:sc= 0.142 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 129 7.242 17.862 -1.860 1.00 0.00 N ATOM 2 CA GLY A 129 6.684 16.568 -1.514 1.00 0.00 C ATOM 3 C GLY A 129 6.154 16.526 -0.094 1.00 0.00 C ATOM 4 O GLY A 129 6.922 16.388 0.858 1.00 0.00 O ATOM 0 HA2 GLY A 129 5.878 16.326 -2.207 1.00 0.00 H new ATOM 0 HA3 GLY A 129 7.449 15.801 -1.636 1.00 0.00 H new ATOM 8 N SER A 130 4.838 16.648 0.049 1.00 0.00 N ATOM 9 CA SER A 130 4.207 16.628 1.363 1.00 0.00 C ATOM 10 C SER A 130 3.132 15.548 1.434 1.00 0.00 C ATOM 11 O SER A 130 1.973 15.787 1.093 1.00 0.00 O ATOM 12 CB SER A 130 3.595 17.995 1.678 1.00 0.00 C ATOM 13 OG SER A 130 3.295 18.113 3.058 1.00 0.00 O ATOM 0 H SER A 130 4.188 16.762 -0.729 1.00 0.00 H new ATOM 0 HA SER A 130 4.974 16.401 2.104 1.00 0.00 H new ATOM 0 HB2 SER A 130 4.288 18.784 1.384 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.687 18.134 1.092 1.00 0.00 H new ATOM 0 HG SER A 130 2.907 18.995 3.234 1.00 0.00 H new ATOM 19 N SER A 131 3.525 14.359 1.878 1.00 0.00 N ATOM 20 CA SER A 131 2.597 13.240 1.991 1.00 0.00 C ATOM 21 C SER A 131 2.156 13.043 3.438 1.00 0.00 C ATOM 22 O SER A 131 2.923 12.565 4.273 1.00 0.00 O ATOM 23 CB SER A 131 3.246 11.958 1.464 1.00 0.00 C ATOM 24 OG SER A 131 4.407 11.632 2.207 1.00 0.00 O ATOM 0 H SER A 131 4.480 14.145 2.166 1.00 0.00 H new ATOM 0 HA SER A 131 1.717 13.467 1.390 1.00 0.00 H new ATOM 0 HB2 SER A 131 2.532 11.136 1.519 1.00 0.00 H new ATOM 0 HB3 SER A 131 3.506 12.084 0.413 1.00 0.00 H new ATOM 0 HG SER A 131 4.288 11.910 3.139 1.00 0.00 H new ATOM 30 N GLY A 132 0.913 13.416 3.727 1.00 0.00 N ATOM 31 CA GLY A 132 0.390 13.273 5.073 1.00 0.00 C ATOM 32 C GLY A 132 -1.046 12.788 5.088 1.00 0.00 C ATOM 33 O GLY A 132 -1.645 12.564 4.036 1.00 0.00 O ATOM 0 H GLY A 132 0.259 13.815 3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 132 1.013 12.572 5.629 1.00 0.00 H new ATOM 0 HA3 GLY A 132 0.452 14.232 5.587 1.00 0.00 H new ATOM 37 N SER A 133 -1.601 12.623 6.285 1.00 0.00 N ATOM 38 CA SER A 133 -2.974 12.155 6.433 1.00 0.00 C ATOM 39 C SER A 133 -3.380 12.120 7.904 1.00 0.00 C ATOM 40 O SER A 133 -2.565 11.823 8.777 1.00 0.00 O ATOM 41 CB SER A 133 -3.131 10.765 5.815 1.00 0.00 C ATOM 42 OG SER A 133 -3.687 10.845 4.514 1.00 0.00 O ATOM 0 H SER A 133 -1.121 12.807 7.166 1.00 0.00 H new ATOM 0 HA SER A 133 -3.628 12.853 5.910 1.00 0.00 H new ATOM 0 HB2 SER A 133 -2.160 10.272 5.769 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.770 10.151 6.450 1.00 0.00 H new ATOM 0 HG SER A 133 -3.153 11.458 3.967 1.00 0.00 H new ATOM 48 N SER A 134 -4.646 12.424 8.169 1.00 0.00 N ATOM 49 CA SER A 134 -5.161 12.431 9.534 1.00 0.00 C ATOM 50 C SER A 134 -6.589 11.895 9.578 1.00 0.00 C ATOM 51 O SER A 134 -7.394 12.311 10.410 1.00 0.00 O ATOM 52 CB SER A 134 -5.117 13.847 10.111 1.00 0.00 C ATOM 53 OG SER A 134 -4.068 14.602 9.531 1.00 0.00 O ATOM 0 H SER A 134 -5.334 12.669 7.457 1.00 0.00 H new ATOM 0 HA SER A 134 -4.529 11.781 10.138 1.00 0.00 H new ATOM 0 HB2 SER A 134 -6.070 14.346 9.932 1.00 0.00 H new ATOM 0 HB3 SER A 134 -4.980 13.799 11.191 1.00 0.00 H new ATOM 0 HG SER A 134 -4.062 15.503 9.916 1.00 0.00 H new ATOM 59 N GLY A 135 -6.895 10.968 8.675 1.00 0.00 N ATOM 60 CA GLY A 135 -8.225 10.389 8.628 1.00 0.00 C ATOM 61 C GLY A 135 -8.197 8.875 8.577 1.00 0.00 C ATOM 62 O GLY A 135 -7.129 8.270 8.492 1.00 0.00 O ATOM 0 H GLY A 135 -6.246 10.608 7.976 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -8.788 10.709 9.504 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -8.753 10.769 7.753 1.00 0.00 H new ATOM 66 N GLU A 136 -9.375 8.261 8.631 1.00 0.00 N ATOM 67 CA GLU A 136 -9.480 6.807 8.593 1.00 0.00 C ATOM 68 C GLU A 136 -9.770 6.318 7.177 1.00 0.00 C ATOM 69 O GLU A 136 -10.243 7.077 6.331 1.00 0.00 O ATOM 70 CB GLU A 136 -10.579 6.328 9.544 1.00 0.00 C ATOM 71 CG GLU A 136 -10.134 6.241 10.995 1.00 0.00 C ATOM 72 CD GLU A 136 -11.300 6.224 11.963 1.00 0.00 C ATOM 73 OE1 GLU A 136 -12.307 6.912 11.690 1.00 0.00 O ATOM 74 OE2 GLU A 136 -11.208 5.524 12.992 1.00 0.00 O ATOM 0 H GLU A 136 -10.269 8.747 8.701 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.525 6.392 8.913 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.429 7.006 9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -10.926 5.347 9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -9.538 5.339 11.135 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -9.489 7.089 11.225 1.00 0.00 H new ATOM 81 N LYS A 137 -9.481 5.046 6.925 1.00 0.00 N ATOM 82 CA LYS A 137 -9.710 4.454 5.613 1.00 0.00 C ATOM 83 C LYS A 137 -10.701 3.298 5.703 1.00 0.00 C ATOM 84 O LYS A 137 -10.874 2.677 6.752 1.00 0.00 O ATOM 85 CB LYS A 137 -8.390 3.963 5.014 1.00 0.00 C ATOM 86 CG LYS A 137 -7.465 5.086 4.578 1.00 0.00 C ATOM 87 CD LYS A 137 -6.440 4.603 3.566 1.00 0.00 C ATOM 88 CE LYS A 137 -5.469 5.710 3.185 1.00 0.00 C ATOM 89 NZ LYS A 137 -4.417 5.905 4.220 1.00 0.00 N ATOM 0 H LYS A 137 -9.087 4.405 7.613 1.00 0.00 H new ATOM 0 HA LYS A 137 -10.132 5.222 4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -7.875 3.344 5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -8.605 3.326 4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -8.053 5.895 4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -6.953 5.496 5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.888 3.760 3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.951 4.242 2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -5.000 5.469 2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -6.017 6.642 3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -4.610 6.779 4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -4.418 5.096 4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -3.487 5.977 3.760 1.00 0.00 H new ATOM 103 N PRO A 138 -11.367 2.999 4.577 1.00 0.00 N ATOM 104 CA PRO A 138 -12.350 1.913 4.504 1.00 0.00 C ATOM 105 C PRO A 138 -11.702 0.537 4.603 1.00 0.00 C ATOM 106 O PRO A 138 -12.382 -0.465 4.825 1.00 0.00 O ATOM 107 CB PRO A 138 -12.988 2.106 3.126 1.00 0.00 C ATOM 108 CG PRO A 138 -11.951 2.814 2.324 1.00 0.00 C ATOM 109 CD PRO A 138 -11.211 3.696 3.290 1.00 0.00 C ATOM 0 HA PRO A 138 -13.062 1.951 5.328 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -13.253 1.150 2.675 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -13.905 2.692 3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -11.275 2.104 1.847 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -12.408 3.403 1.529 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -10.162 3.801 3.015 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -11.634 4.700 3.323 1.00 0.00 H new ATOM 117 N TYR A 139 -10.385 0.495 4.436 1.00 0.00 N ATOM 118 CA TYR A 139 -9.645 -0.760 4.505 1.00 0.00 C ATOM 119 C TYR A 139 -8.443 -0.634 5.435 1.00 0.00 C ATOM 120 O TYR A 139 -7.829 0.429 5.532 1.00 0.00 O ATOM 121 CB TYR A 139 -9.182 -1.181 3.109 1.00 0.00 C ATOM 122 CG TYR A 139 -10.288 -1.176 2.078 1.00 0.00 C ATOM 123 CD1 TYR A 139 -11.259 -2.169 2.067 1.00 0.00 C ATOM 124 CD2 TYR A 139 -10.362 -0.177 1.115 1.00 0.00 C ATOM 125 CE1 TYR A 139 -12.270 -2.169 1.125 1.00 0.00 C ATOM 126 CE2 TYR A 139 -11.370 -0.168 0.171 1.00 0.00 C ATOM 127 CZ TYR A 139 -12.322 -1.166 0.180 1.00 0.00 C ATOM 128 OH TYR A 139 -13.328 -1.161 -0.758 1.00 0.00 O ATOM 0 H TYR A 139 -9.808 1.315 4.252 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.312 -1.524 4.905 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.388 -0.510 2.781 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -8.752 -2.181 3.164 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.223 -2.955 2.807 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.618 0.606 1.105 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -13.016 -2.950 1.129 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -11.413 0.616 -0.570 1.00 0.00 H new ATOM 0 HH TYR A 139 -13.220 -0.387 -1.349 1.00 0.00 H new ATOM 138 N GLN A 140 -8.112 -1.726 6.117 1.00 0.00 N ATOM 139 CA GLN A 140 -6.983 -1.738 7.039 1.00 0.00 C ATOM 140 C GLN A 140 -6.375 -3.133 7.137 1.00 0.00 C ATOM 141 O GLN A 140 -7.078 -4.112 7.388 1.00 0.00 O ATOM 142 CB GLN A 140 -7.425 -1.263 8.425 1.00 0.00 C ATOM 143 CG GLN A 140 -6.320 -1.320 9.468 1.00 0.00 C ATOM 144 CD GLN A 140 -6.719 -2.112 10.697 1.00 0.00 C ATOM 145 OE1 GLN A 140 -7.898 -2.199 11.039 1.00 0.00 O ATOM 146 NE2 GLN A 140 -5.734 -2.697 11.370 1.00 0.00 N ATOM 0 H GLN A 140 -8.610 -2.614 6.048 1.00 0.00 H new ATOM 0 HA GLN A 140 -6.224 -1.057 6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -7.790 -0.239 8.350 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -8.262 -1.876 8.760 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.430 -1.767 9.025 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -6.053 -0.306 9.765 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -4.770 -2.599 11.051 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -5.942 -3.244 12.205 1.00 0.00 H new ATOM 155 N CYS A 141 -5.064 -3.217 6.936 1.00 0.00 N ATOM 156 CA CYS A 141 -4.360 -4.492 7.000 1.00 0.00 C ATOM 157 C CYS A 141 -4.354 -5.039 8.424 1.00 0.00 C ATOM 158 O CYS A 141 -4.144 -4.299 9.385 1.00 0.00 O ATOM 159 CB CYS A 141 -2.923 -4.330 6.498 1.00 0.00 C ATOM 160 SG CYS A 141 -2.053 -5.906 6.216 1.00 0.00 S ATOM 0 H CYS A 141 -4.467 -2.416 6.727 1.00 0.00 H new ATOM 0 HA CYS A 141 -4.884 -5.201 6.359 1.00 0.00 H new ATOM 0 HB2 CYS A 141 -2.936 -3.763 5.567 1.00 0.00 H new ATOM 0 HB3 CYS A 141 -2.360 -3.741 7.222 1.00 0.00 H new ATOM 165 N LYS A 142 -4.587 -6.341 8.553 1.00 0.00 N ATOM 166 CA LYS A 142 -4.608 -6.990 9.858 1.00 0.00 C ATOM 167 C LYS A 142 -3.329 -7.787 10.090 1.00 0.00 C ATOM 168 O LYS A 142 -3.324 -8.766 10.836 1.00 0.00 O ATOM 169 CB LYS A 142 -5.824 -7.912 9.973 1.00 0.00 C ATOM 170 CG LYS A 142 -5.799 -9.076 8.997 1.00 0.00 C ATOM 171 CD LYS A 142 -6.674 -8.806 7.785 1.00 0.00 C ATOM 172 CE LYS A 142 -6.554 -9.917 6.752 1.00 0.00 C ATOM 173 NZ LYS A 142 -7.567 -10.987 6.968 1.00 0.00 N ATOM 0 H LYS A 142 -4.764 -6.968 7.768 1.00 0.00 H new ATOM 0 HA LYS A 142 -4.675 -6.214 10.620 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.879 -8.302 10.989 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.729 -7.328 9.806 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -4.774 -9.259 8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -6.141 -9.981 9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.713 -8.711 8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.389 -7.856 7.334 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -6.675 -9.499 5.753 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.554 -10.349 6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.452 -11.725 6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -7.436 -11.404 7.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -8.522 -10.580 6.899 1.00 0.00 H new ATOM 187 N GLU A 143 -2.246 -7.361 9.447 1.00 0.00 N ATOM 188 CA GLU A 143 -0.961 -8.036 9.585 1.00 0.00 C ATOM 189 C GLU A 143 0.103 -7.078 10.113 1.00 0.00 C ATOM 190 O GLU A 143 0.995 -7.475 10.864 1.00 0.00 O ATOM 191 CB GLU A 143 -0.518 -8.616 8.240 1.00 0.00 C ATOM 192 CG GLU A 143 -1.613 -9.382 7.517 1.00 0.00 C ATOM 193 CD GLU A 143 -2.222 -10.476 8.372 1.00 0.00 C ATOM 194 OE1 GLU A 143 -1.575 -10.887 9.359 1.00 0.00 O ATOM 195 OE2 GLU A 143 -3.344 -10.922 8.056 1.00 0.00 O ATOM 0 H GLU A 143 -2.233 -6.552 8.826 1.00 0.00 H new ATOM 0 HA GLU A 143 -1.081 -8.849 10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -0.171 -7.804 7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 143 0.332 -9.279 8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -2.395 -8.688 7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -1.204 -9.822 6.608 1.00 0.00 H new ATOM 202 N CYS A 144 0.003 -5.814 9.715 1.00 0.00 N ATOM 203 CA CYS A 144 0.955 -4.798 10.147 1.00 0.00 C ATOM 204 C CYS A 144 0.232 -3.573 10.698 1.00 0.00 C ATOM 205 O CYS A 144 0.677 -2.960 11.667 1.00 0.00 O ATOM 206 CB CYS A 144 1.859 -4.389 8.982 1.00 0.00 C ATOM 207 SG CYS A 144 0.956 -3.833 7.500 1.00 0.00 S ATOM 0 H CYS A 144 -0.728 -5.469 9.093 1.00 0.00 H new ATOM 0 HA CYS A 144 1.567 -5.224 10.942 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.520 -3.588 9.313 1.00 0.00 H new ATOM 0 HB3 CYS A 144 2.492 -5.235 8.713 1.00 0.00 H new ATOM 212 N GLY A 145 -0.888 -3.223 10.073 1.00 0.00 N ATOM 213 CA GLY A 145 -1.656 -2.073 10.515 1.00 0.00 C ATOM 214 C GLY A 145 -1.793 -1.018 9.435 1.00 0.00 C ATOM 215 O GLY A 145 -2.115 0.135 9.721 1.00 0.00 O ATOM 0 H GLY A 145 -1.277 -3.715 9.269 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.648 -2.400 10.827 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -1.176 -1.633 11.389 1.00 0.00 H new ATOM 219 N LYS A 146 -1.547 -1.412 8.190 1.00 0.00 N ATOM 220 CA LYS A 146 -1.644 -0.493 7.063 1.00 0.00 C ATOM 221 C LYS A 146 -3.101 -0.161 6.755 1.00 0.00 C ATOM 222 O LYS A 146 -4.014 -0.685 7.393 1.00 0.00 O ATOM 223 CB LYS A 146 -0.975 -1.097 5.826 1.00 0.00 C ATOM 224 CG LYS A 146 0.292 -0.374 5.405 1.00 0.00 C ATOM 225 CD LYS A 146 0.346 -0.174 3.900 1.00 0.00 C ATOM 226 CE LYS A 146 0.958 1.170 3.537 1.00 0.00 C ATOM 227 NZ LYS A 146 2.343 1.026 3.011 1.00 0.00 N ATOM 0 H LYS A 146 -1.279 -2.363 7.936 1.00 0.00 H new ATOM 0 HA LYS A 146 -1.129 0.429 7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.738 -2.142 6.026 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -1.683 -1.084 4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 146 0.342 0.594 5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.162 -0.945 5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 146 0.930 -0.975 3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.661 -0.240 3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 146 0.335 1.662 2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 146 0.969 1.813 4.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 2.724 1.965 2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 2.944 0.579 3.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 2.330 0.433 2.157 1.00 0.00 H new ATOM 241 N SER A 147 -3.310 0.710 5.773 1.00 0.00 N ATOM 242 CA SER A 147 -4.656 1.113 5.383 1.00 0.00 C ATOM 243 C SER A 147 -4.681 1.592 3.934 1.00 0.00 C ATOM 244 O SER A 147 -3.805 2.341 3.501 1.00 0.00 O ATOM 245 CB SER A 147 -5.168 2.219 6.307 1.00 0.00 C ATOM 246 OG SER A 147 -4.660 3.483 5.919 1.00 0.00 O ATOM 0 H SER A 147 -2.565 1.150 5.233 1.00 0.00 H new ATOM 0 HA SER A 147 -5.309 0.245 5.472 1.00 0.00 H new ATOM 0 HB2 SER A 147 -6.258 2.239 6.286 1.00 0.00 H new ATOM 0 HB3 SER A 147 -4.873 2.005 7.334 1.00 0.00 H new ATOM 0 HG SER A 147 -5.003 4.173 6.524 1.00 0.00 H new ATOM 252 N PHE A 148 -5.691 1.154 3.190 1.00 0.00 N ATOM 253 CA PHE A 148 -5.831 1.537 1.790 1.00 0.00 C ATOM 254 C PHE A 148 -7.232 2.074 1.511 1.00 0.00 C ATOM 255 O PHE A 148 -8.147 1.901 2.316 1.00 0.00 O ATOM 256 CB PHE A 148 -5.541 0.341 0.881 1.00 0.00 C ATOM 257 CG PHE A 148 -4.138 -0.181 1.007 1.00 0.00 C ATOM 258 CD1 PHE A 148 -3.786 -1.012 2.058 1.00 0.00 C ATOM 259 CD2 PHE A 148 -3.172 0.160 0.074 1.00 0.00 C ATOM 260 CE1 PHE A 148 -2.496 -1.495 2.176 1.00 0.00 C ATOM 261 CE2 PHE A 148 -1.881 -0.319 0.187 1.00 0.00 C ATOM 262 CZ PHE A 148 -1.542 -1.147 1.240 1.00 0.00 C ATOM 0 H PHE A 148 -6.424 0.534 3.533 1.00 0.00 H new ATOM 0 HA PHE A 148 -5.110 2.327 1.581 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -6.241 -0.461 1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -5.721 0.630 -0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -4.528 -1.286 2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -3.431 0.807 -0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -2.235 -2.144 2.999 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -1.137 -0.046 -0.547 1.00 0.00 H new ATOM 0 HZ PHE A 148 -0.533 -1.521 1.331 1.00 0.00 H new ATOM 272 N SER A 149 -7.391 2.728 0.364 1.00 0.00 N ATOM 273 CA SER A 149 -8.678 3.295 -0.020 1.00 0.00 C ATOM 274 C SER A 149 -9.275 2.535 -1.200 1.00 0.00 C ATOM 275 O SER A 149 -10.164 3.036 -1.888 1.00 0.00 O ATOM 276 CB SER A 149 -8.520 4.774 -0.379 1.00 0.00 C ATOM 277 OG SER A 149 -8.326 4.943 -1.773 1.00 0.00 O ATOM 0 H SER A 149 -6.645 2.878 -0.315 1.00 0.00 H new ATOM 0 HA SER A 149 -9.356 3.205 0.829 1.00 0.00 H new ATOM 0 HB2 SER A 149 -9.406 5.325 -0.063 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.673 5.194 0.163 1.00 0.00 H new ATOM 0 HG SER A 149 -9.119 4.628 -2.254 1.00 0.00 H new ATOM 283 N GLN A 150 -8.780 1.322 -1.427 1.00 0.00 N ATOM 284 CA GLN A 150 -9.264 0.493 -2.524 1.00 0.00 C ATOM 285 C GLN A 150 -9.231 -0.984 -2.145 1.00 0.00 C ATOM 286 O GLN A 150 -8.197 -1.504 -1.725 1.00 0.00 O ATOM 287 CB GLN A 150 -8.423 0.729 -3.780 1.00 0.00 C ATOM 288 CG GLN A 150 -8.158 2.198 -4.067 1.00 0.00 C ATOM 289 CD GLN A 150 -7.714 2.442 -5.496 1.00 0.00 C ATOM 290 OE1 GLN A 150 -8.468 3.262 -6.219 1.00 0.00 O flip ATOM 291 NE2 GLN A 150 -6.705 1.898 -5.946 1.00 0.00 N flip ATOM 0 H GLN A 150 -8.045 0.892 -0.866 1.00 0.00 H new ATOM 0 HA GLN A 150 -10.297 0.774 -2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.470 0.211 -3.672 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -8.931 0.286 -4.636 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -9.063 2.772 -3.869 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.392 2.565 -3.385 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -6.155 1.275 -5.355 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -6.419 2.071 -6.910 1.00 0.00 H new ATOM 300 N ARG A 151 -10.368 -1.655 -2.297 1.00 0.00 N ATOM 301 CA ARG A 151 -10.469 -3.072 -1.969 1.00 0.00 C ATOM 302 C ARG A 151 -9.388 -3.874 -2.686 1.00 0.00 C ATOM 303 O ARG A 151 -8.886 -4.867 -2.161 1.00 0.00 O ATOM 304 CB ARG A 151 -11.852 -3.607 -2.347 1.00 0.00 C ATOM 305 CG ARG A 151 -12.003 -5.105 -2.138 1.00 0.00 C ATOM 306 CD ARG A 151 -13.187 -5.425 -1.239 1.00 0.00 C ATOM 307 NE ARG A 151 -13.278 -6.852 -0.942 1.00 0.00 N ATOM 308 CZ ARG A 151 -12.461 -7.483 -0.105 1.00 0.00 C ATOM 309 NH1 ARG A 151 -11.498 -6.815 0.515 1.00 0.00 N ATOM 310 NH2 ARG A 151 -12.608 -8.783 0.113 1.00 0.00 N ATOM 0 H ARG A 151 -11.232 -1.240 -2.645 1.00 0.00 H new ATOM 0 HA ARG A 151 -10.326 -3.182 -0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -12.607 -3.088 -1.756 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -12.050 -3.373 -3.393 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -12.133 -5.597 -3.102 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -11.091 -5.506 -1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -13.097 -4.866 -0.308 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -14.108 -5.095 -1.721 1.00 0.00 H new ATOM 0 HE ARG A 151 -14.009 -7.394 -1.402 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -11.383 -5.815 0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -10.872 -7.301 1.157 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -13.349 -9.299 -0.362 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -11.981 -9.267 0.756 1.00 0.00 H new ATOM 324 N GLY A 152 -9.033 -3.436 -3.890 1.00 0.00 N ATOM 325 CA GLY A 152 -8.014 -4.125 -4.660 1.00 0.00 C ATOM 326 C GLY A 152 -6.612 -3.805 -4.183 1.00 0.00 C ATOM 327 O GLY A 152 -5.752 -4.684 -4.128 1.00 0.00 O ATOM 0 H GLY A 152 -9.433 -2.616 -4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -8.180 -5.200 -4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -8.109 -3.850 -5.710 1.00 0.00 H new ATOM 331 N SER A 153 -6.379 -2.543 -3.838 1.00 0.00 N ATOM 332 CA SER A 153 -5.069 -2.107 -3.368 1.00 0.00 C ATOM 333 C SER A 153 -4.659 -2.874 -2.115 1.00 0.00 C ATOM 334 O SER A 153 -3.546 -3.394 -2.028 1.00 0.00 O ATOM 335 CB SER A 153 -5.081 -0.605 -3.080 1.00 0.00 C ATOM 336 OG SER A 153 -5.129 0.145 -4.281 1.00 0.00 O ATOM 0 H SER A 153 -7.081 -1.804 -3.875 1.00 0.00 H new ATOM 0 HA SER A 153 -4.341 -2.313 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 153 -5.942 -0.358 -2.459 1.00 0.00 H new ATOM 0 HB3 SER A 153 -4.190 -0.333 -2.513 1.00 0.00 H new ATOM 0 HG SER A 153 -4.977 1.092 -4.081 1.00 0.00 H new ATOM 342 N LEU A 154 -5.566 -2.941 -1.147 1.00 0.00 N ATOM 343 CA LEU A 154 -5.300 -3.644 0.104 1.00 0.00 C ATOM 344 C LEU A 154 -4.881 -5.086 -0.162 1.00 0.00 C ATOM 345 O LEU A 154 -3.880 -5.561 0.374 1.00 0.00 O ATOM 346 CB LEU A 154 -6.539 -3.617 1.000 1.00 0.00 C ATOM 347 CG LEU A 154 -6.572 -4.647 2.130 1.00 0.00 C ATOM 348 CD1 LEU A 154 -5.436 -4.400 3.110 1.00 0.00 C ATOM 349 CD2 LEU A 154 -7.915 -4.610 2.846 1.00 0.00 C ATOM 0 H LEU A 154 -6.492 -2.517 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 154 -4.481 -3.135 0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -6.624 -2.623 1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.419 -3.765 0.374 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.441 -5.639 1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.475 -5.142 3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.482 -4.478 2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.535 -3.402 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.921 -5.349 3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -8.076 -3.618 3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.712 -4.837 2.137 1.00 0.00 H new ATOM 361 N ALA A 155 -5.652 -5.778 -0.994 1.00 0.00 N ATOM 362 CA ALA A 155 -5.359 -7.164 -1.334 1.00 0.00 C ATOM 363 C ALA A 155 -3.911 -7.324 -1.787 1.00 0.00 C ATOM 364 O ALA A 155 -3.194 -8.204 -1.309 1.00 0.00 O ATOM 365 CB ALA A 155 -6.309 -7.656 -2.415 1.00 0.00 C ATOM 0 H ALA A 155 -6.485 -5.401 -1.445 1.00 0.00 H new ATOM 0 HA ALA A 155 -5.502 -7.769 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -6.078 -8.693 -2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -7.336 -7.588 -2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -6.195 -7.040 -3.307 1.00 0.00 H new ATOM 371 N VAL A 156 -3.488 -6.468 -2.711 1.00 0.00 N ATOM 372 CA VAL A 156 -2.125 -6.514 -3.228 1.00 0.00 C ATOM 373 C VAL A 156 -1.105 -6.418 -2.099 1.00 0.00 C ATOM 374 O VAL A 156 0.005 -6.939 -2.205 1.00 0.00 O ATOM 375 CB VAL A 156 -1.869 -5.377 -4.235 1.00 0.00 C ATOM 376 CG1 VAL A 156 -0.475 -5.497 -4.833 1.00 0.00 C ATOM 377 CG2 VAL A 156 -2.928 -5.383 -5.327 1.00 0.00 C ATOM 0 H VAL A 156 -4.069 -5.734 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 156 -2.011 -7.472 -3.736 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.931 -4.426 -3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -0.312 -4.685 -5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 156 0.268 -5.439 -4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -0.381 -6.453 -5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -2.731 -4.573 -6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -2.900 -6.336 -5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.912 -5.244 -4.880 1.00 0.00 H new ATOM 387 N HIS A 157 -1.490 -5.748 -1.017 1.00 0.00 N ATOM 388 CA HIS A 157 -0.609 -5.584 0.133 1.00 0.00 C ATOM 389 C HIS A 157 -0.803 -6.721 1.133 1.00 0.00 C ATOM 390 O HIS A 157 0.036 -6.942 2.005 1.00 0.00 O ATOM 391 CB HIS A 157 -0.869 -4.240 0.815 1.00 0.00 C ATOM 392 CG HIS A 157 -0.169 -4.090 2.130 1.00 0.00 C ATOM 393 ND1 HIS A 157 1.069 -3.498 2.261 1.00 0.00 N ATOM 394 CD2 HIS A 157 -0.542 -4.457 3.379 1.00 0.00 C ATOM 395 CE1 HIS A 157 1.429 -3.510 3.532 1.00 0.00 C ATOM 396 NE2 HIS A 157 0.468 -4.086 4.231 1.00 0.00 N ATOM 0 H HIS A 157 -2.406 -5.310 -0.913 1.00 0.00 H new ATOM 0 HA HIS A 157 0.421 -5.609 -0.224 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -0.551 -3.437 0.150 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -1.942 -4.121 0.968 1.00 0.00 H new ATOM 0 HD1 HIS A 157 1.621 -3.111 1.496 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -1.463 -4.950 3.654 1.00 0.00 H new ATOM 0 HE1 HIS A 157 2.352 -3.116 3.931 1.00 0.00 H new ATOM 404 N GLU A 158 -1.916 -7.436 0.999 1.00 0.00 N ATOM 405 CA GLU A 158 -2.220 -8.548 1.891 1.00 0.00 C ATOM 406 C GLU A 158 -1.695 -9.863 1.321 1.00 0.00 C ATOM 407 O GLU A 158 -1.633 -10.874 2.020 1.00 0.00 O ATOM 408 CB GLU A 158 -3.729 -8.647 2.123 1.00 0.00 C ATOM 409 CG GLU A 158 -4.335 -7.392 2.729 1.00 0.00 C ATOM 410 CD GLU A 158 -5.262 -7.694 3.890 1.00 0.00 C ATOM 411 OE1 GLU A 158 -4.756 -7.941 5.005 1.00 0.00 O ATOM 412 OE2 GLU A 158 -6.494 -7.682 3.684 1.00 0.00 O ATOM 0 H GLU A 158 -2.621 -7.265 0.282 1.00 0.00 H new ATOM 0 HA GLU A 158 -1.724 -8.361 2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.221 -8.856 1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -3.932 -9.492 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -3.535 -6.735 3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -4.886 -6.851 1.960 1.00 0.00 H new ATOM 419 N ARG A 159 -1.319 -9.840 0.047 1.00 0.00 N ATOM 420 CA ARG A 159 -0.801 -11.029 -0.619 1.00 0.00 C ATOM 421 C ARG A 159 0.724 -11.005 -0.666 1.00 0.00 C ATOM 422 O ARG A 159 1.377 -12.037 -0.506 1.00 0.00 O ATOM 423 CB ARG A 159 -1.365 -11.132 -2.037 1.00 0.00 C ATOM 424 CG ARG A 159 -1.008 -9.948 -2.922 1.00 0.00 C ATOM 425 CD ARG A 159 0.164 -10.269 -3.836 1.00 0.00 C ATOM 426 NE ARG A 159 -0.119 -11.404 -4.710 1.00 0.00 N ATOM 427 CZ ARG A 159 0.756 -11.899 -5.579 1.00 0.00 C ATOM 428 NH1 ARG A 159 1.963 -11.362 -5.688 1.00 0.00 N ATOM 429 NH2 ARG A 159 0.424 -12.934 -6.340 1.00 0.00 N ATOM 0 H ARG A 159 -1.363 -9.011 -0.545 1.00 0.00 H new ATOM 0 HA ARG A 159 -1.116 -11.902 -0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -0.995 -12.046 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -2.450 -11.220 -1.982 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -1.873 -9.668 -3.523 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -0.760 -9.088 -2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 159 0.401 -9.395 -4.442 1.00 0.00 H new ATOM 0 HD3 ARG A 159 1.045 -10.487 -3.233 1.00 0.00 H new ATOM 0 HE ARG A 159 -1.039 -11.841 -4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 159 2.222 -10.567 -5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 159 2.633 -11.744 -6.356 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -0.504 -13.350 -6.258 1.00 0.00 H new ATOM 0 HH22 ARG A 159 1.096 -13.313 -7.007 1.00 0.00 H new ATOM 443 N LEU A 160 1.285 -9.822 -0.889 1.00 0.00 N ATOM 444 CA LEU A 160 2.734 -9.663 -0.958 1.00 0.00 C ATOM 445 C LEU A 160 3.369 -9.854 0.415 1.00 0.00 C ATOM 446 O LEU A 160 4.585 -10.006 0.533 1.00 0.00 O ATOM 447 CB LEU A 160 3.089 -8.281 -1.510 1.00 0.00 C ATOM 448 CG LEU A 160 3.575 -7.255 -0.486 1.00 0.00 C ATOM 449 CD1 LEU A 160 4.027 -5.980 -1.181 1.00 0.00 C ATOM 450 CD2 LEU A 160 2.479 -6.952 0.527 1.00 0.00 C ATOM 0 H LEU A 160 0.759 -8.959 -1.025 1.00 0.00 H new ATOM 0 HA LEU A 160 3.127 -10.427 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 160 3.862 -8.402 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 160 2.211 -7.876 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 160 4.428 -7.677 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 160 4.369 -5.261 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.843 -6.209 -1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.193 -5.554 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.842 -6.220 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.607 -6.551 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.202 -7.868 1.048 1.00 0.00 H new ATOM 462 N HIS A 161 2.537 -9.847 1.452 1.00 0.00 N ATOM 463 CA HIS A 161 3.017 -10.022 2.819 1.00 0.00 C ATOM 464 C HIS A 161 3.857 -11.291 2.941 1.00 0.00 C ATOM 465 O HIS A 161 4.930 -11.282 3.545 1.00 0.00 O ATOM 466 CB HIS A 161 1.840 -10.080 3.792 1.00 0.00 C ATOM 467 CG HIS A 161 1.684 -8.840 4.618 1.00 0.00 C ATOM 468 ND1 HIS A 161 2.624 -8.425 5.536 1.00 0.00 N ATOM 469 CD2 HIS A 161 0.689 -7.923 4.658 1.00 0.00 C ATOM 470 CE1 HIS A 161 2.214 -7.306 6.107 1.00 0.00 C ATOM 471 NE2 HIS A 161 1.043 -6.980 5.592 1.00 0.00 N ATOM 0 H HIS A 161 1.528 -9.722 1.372 1.00 0.00 H new ATOM 0 HA HIS A 161 3.644 -9.166 3.070 1.00 0.00 H new ATOM 0 HB2 HIS A 161 0.922 -10.250 3.229 1.00 0.00 H new ATOM 0 HB3 HIS A 161 1.970 -10.935 4.456 1.00 0.00 H new ATOM 0 HD1 HIS A 161 3.499 -8.906 5.743 1.00 0.00 H new ATOM 0 HD2 HIS A 161 -0.214 -7.931 4.066 1.00 0.00 H new ATOM 0 HE1 HIS A 161 2.746 -6.752 6.866 1.00 0.00 H new ATOM 479 N THR A 162 3.360 -12.381 2.365 1.00 0.00 N ATOM 480 CA THR A 162 4.063 -13.657 2.411 1.00 0.00 C ATOM 481 C THR A 162 5.362 -13.598 1.616 1.00 0.00 C ATOM 482 O THR A 162 5.363 -13.260 0.433 1.00 0.00 O ATOM 483 CB THR A 162 3.188 -14.800 1.860 1.00 0.00 C ATOM 484 OG1 THR A 162 3.923 -16.029 1.875 1.00 0.00 O ATOM 485 CG2 THR A 162 2.729 -14.495 0.442 1.00 0.00 C ATOM 0 H THR A 162 2.473 -12.406 1.861 1.00 0.00 H new ATOM 0 HA THR A 162 4.290 -13.855 3.458 1.00 0.00 H new ATOM 0 HB THR A 162 2.308 -14.895 2.497 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.360 -16.751 1.525 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.113 -15.316 0.074 1.00 0.00 H new ATOM 0 HG22 THR A 162 2.146 -13.574 0.438 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.599 -14.376 -0.204 1.00 0.00 H new ATOM 493 N GLY A 163 6.469 -13.931 2.274 1.00 0.00 N ATOM 494 CA GLY A 163 7.760 -13.911 1.612 1.00 0.00 C ATOM 495 C GLY A 163 8.891 -13.562 2.558 1.00 0.00 C ATOM 496 O GLY A 163 8.964 -14.088 3.669 1.00 0.00 O ATOM 0 H GLY A 163 6.494 -14.214 3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 163 7.951 -14.887 1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 163 7.736 -13.188 0.797 1.00 0.00 H new ATOM 500 N SER A 164 9.777 -12.674 2.118 1.00 0.00 N ATOM 501 CA SER A 164 10.914 -12.260 2.932 1.00 0.00 C ATOM 502 C SER A 164 10.953 -10.742 3.078 1.00 0.00 C ATOM 503 O SER A 164 10.732 -10.206 4.163 1.00 0.00 O ATOM 504 CB SER A 164 12.221 -12.758 2.312 1.00 0.00 C ATOM 505 OG SER A 164 13.299 -11.897 2.635 1.00 0.00 O ATOM 0 H SER A 164 9.729 -12.227 1.202 1.00 0.00 H new ATOM 0 HA SER A 164 10.800 -12.700 3.923 1.00 0.00 H new ATOM 0 HB2 SER A 164 12.436 -13.765 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 164 12.113 -12.820 1.229 1.00 0.00 H new ATOM 0 HG SER A 164 14.123 -12.238 2.229 1.00 0.00 H new ATOM 511 N GLY A 165 11.237 -10.055 1.976 1.00 0.00 N ATOM 512 CA GLY A 165 11.301 -8.605 2.001 1.00 0.00 C ATOM 513 C GLY A 165 12.204 -8.046 0.920 1.00 0.00 C ATOM 514 O GLY A 165 12.765 -8.781 0.107 1.00 0.00 O ATOM 0 H GLY A 165 11.424 -10.476 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 165 10.297 -8.198 1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 165 11.661 -8.277 2.976 1.00 0.00 H new ATOM 518 N PRO A 166 12.354 -6.713 0.900 1.00 0.00 N ATOM 519 CA PRO A 166 13.194 -6.026 -0.086 1.00 0.00 C ATOM 520 C PRO A 166 14.680 -6.288 0.135 1.00 0.00 C ATOM 521 O PRO A 166 15.057 -7.114 0.966 1.00 0.00 O ATOM 522 CB PRO A 166 12.872 -4.547 0.144 1.00 0.00 C ATOM 523 CG PRO A 166 12.417 -4.474 1.560 1.00 0.00 C ATOM 524 CD PRO A 166 11.716 -5.775 1.838 1.00 0.00 C ATOM 0 HA PRO A 166 12.993 -6.368 -1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 166 13.748 -3.921 -0.023 1.00 0.00 H new ATOM 0 HB3 PRO A 166 12.097 -4.200 -0.539 1.00 0.00 H new ATOM 0 HG2 PRO A 166 13.262 -4.334 2.234 1.00 0.00 H new ATOM 0 HG3 PRO A 166 11.745 -3.629 1.711 1.00 0.00 H new ATOM 0 HD2 PRO A 166 11.848 -6.090 2.873 1.00 0.00 H new ATOM 0 HD3 PRO A 166 10.643 -5.699 1.663 1.00 0.00 H new ATOM 532 N SER A 167 15.519 -5.579 -0.613 1.00 0.00 N ATOM 533 CA SER A 167 16.964 -5.737 -0.501 1.00 0.00 C ATOM 534 C SER A 167 17.455 -5.288 0.872 1.00 0.00 C ATOM 535 O SER A 167 18.396 -5.857 1.424 1.00 0.00 O ATOM 536 CB SER A 167 17.673 -4.937 -1.595 1.00 0.00 C ATOM 537 OG SER A 167 16.770 -4.068 -2.257 1.00 0.00 O ATOM 0 H SER A 167 15.223 -4.889 -1.303 1.00 0.00 H new ATOM 0 HA SER A 167 17.199 -6.794 -0.624 1.00 0.00 H new ATOM 0 HB2 SER A 167 18.486 -4.357 -1.157 1.00 0.00 H new ATOM 0 HB3 SER A 167 18.121 -5.620 -2.317 1.00 0.00 H new ATOM 0 HG SER A 167 17.248 -3.567 -2.950 1.00 0.00 H new ATOM 543 N SER A 168 16.809 -4.261 1.418 1.00 0.00 N ATOM 544 CA SER A 168 17.181 -3.732 2.724 1.00 0.00 C ATOM 545 C SER A 168 16.194 -4.185 3.795 1.00 0.00 C ATOM 546 O SER A 168 16.501 -5.052 4.612 1.00 0.00 O ATOM 547 CB SER A 168 17.239 -2.203 2.681 1.00 0.00 C ATOM 548 OG SER A 168 18.405 -1.755 2.013 1.00 0.00 O ATOM 0 H SER A 168 16.026 -3.780 0.975 1.00 0.00 H new ATOM 0 HA SER A 168 18.168 -4.119 2.978 1.00 0.00 H new ATOM 0 HB2 SER A 168 16.355 -1.817 2.174 1.00 0.00 H new ATOM 0 HB3 SER A 168 17.223 -1.807 3.696 1.00 0.00 H new ATOM 0 HG SER A 168 18.417 -0.775 1.998 1.00 0.00 H new ATOM 554 N GLY A 169 15.005 -3.590 3.785 1.00 0.00 N ATOM 555 CA GLY A 169 13.990 -3.944 4.760 1.00 0.00 C ATOM 556 C GLY A 169 14.451 -3.719 6.186 1.00 0.00 C ATOM 557 O GLY A 169 14.914 -2.624 6.500 1.00 0.00 O ATOM 0 H GLY A 169 14.727 -2.869 3.119 1.00 0.00 H new ATOM 0 HA2 GLY A 169 13.092 -3.355 4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 169 13.717 -4.991 4.631 1.00 0.00 H new TER 561 GLY A 169 HETATM 562 ZN ZN A 201 0.231 -5.225 5.982 1.00 0.00 ZN