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 150 GLN : amide:sc= 0 K(o=-0.48,f=-2.3!) USER MOD Set 1.2: A 153 SER OG : rot 180:sc= -0.478 USER MOD Set 2.1: A 137 LYS NZ :NH3+ -125:sc= 0.927 (180deg=-0.0349) USER MOD Set 2.2: A 147 SER OG : rot 180:sc= -0.587 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0.0618 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= -0.705 USER MOD Single : A 140 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.68) 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= 0.315 USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 164 SER OG : rot 180:sc= 0 USER MOD Single : A 167 SER OG : rot 180:sc= 0.118 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 129 7.356 15.388 14.481 1.00 0.00 N ATOM 2 CA GLY A 129 6.474 15.449 13.330 1.00 0.00 C ATOM 3 C GLY A 129 5.718 14.154 13.110 1.00 0.00 C ATOM 4 O GLY A 129 6.099 13.340 12.269 1.00 0.00 O ATOM 0 HA2 GLY A 129 5.762 16.263 13.464 1.00 0.00 H new ATOM 0 HA3 GLY A 129 7.059 15.680 12.440 1.00 0.00 H new ATOM 8 N SER A 130 4.644 13.961 13.870 1.00 0.00 N ATOM 9 CA SER A 130 3.836 12.752 13.758 1.00 0.00 C ATOM 10 C SER A 130 3.378 12.536 12.318 1.00 0.00 C ATOM 11 O SER A 130 3.182 13.492 11.568 1.00 0.00 O ATOM 12 CB SER A 130 2.621 12.838 14.684 1.00 0.00 C ATOM 13 OG SER A 130 1.488 12.220 14.098 1.00 0.00 O ATOM 0 H SER A 130 4.314 14.626 14.569 1.00 0.00 H new ATOM 0 HA SER A 130 4.452 11.904 14.056 1.00 0.00 H new ATOM 0 HB2 SER A 130 2.850 12.357 15.635 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.398 13.883 14.900 1.00 0.00 H new ATOM 0 HG SER A 130 0.726 12.287 14.710 1.00 0.00 H new ATOM 19 N SER A 131 3.209 11.273 11.941 1.00 0.00 N ATOM 20 CA SER A 131 2.778 10.930 10.591 1.00 0.00 C ATOM 21 C SER A 131 1.256 10.942 10.487 1.00 0.00 C ATOM 22 O SER A 131 0.694 11.360 9.475 1.00 0.00 O ATOM 23 CB SER A 131 3.317 9.554 10.195 1.00 0.00 C ATOM 24 OG SER A 131 4.189 9.043 11.187 1.00 0.00 O ATOM 0 H SER A 131 3.364 10.470 12.551 1.00 0.00 H new ATOM 0 HA SER A 131 3.177 11.679 9.907 1.00 0.00 H new ATOM 0 HB2 SER A 131 2.487 8.864 10.046 1.00 0.00 H new ATOM 0 HB3 SER A 131 3.845 9.627 9.244 1.00 0.00 H new ATOM 0 HG SER A 131 4.518 8.162 10.911 1.00 0.00 H new ATOM 30 N GLY A 132 0.593 10.479 11.543 1.00 0.00 N ATOM 31 CA GLY A 132 -0.857 10.444 11.551 1.00 0.00 C ATOM 32 C GLY A 132 -1.470 11.828 11.632 1.00 0.00 C ATOM 33 O GLY A 132 -1.201 12.580 12.569 1.00 0.00 O ATOM 0 H GLY A 132 1.035 10.128 12.393 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -1.210 9.946 10.648 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -1.198 9.849 12.398 1.00 0.00 H new ATOM 37 N SER A 133 -2.295 12.166 10.646 1.00 0.00 N ATOM 38 CA SER A 133 -2.944 13.472 10.606 1.00 0.00 C ATOM 39 C SER A 133 -4.013 13.514 9.519 1.00 0.00 C ATOM 40 O SER A 133 -4.164 14.517 8.821 1.00 0.00 O ATOM 41 CB SER A 133 -1.909 14.572 10.364 1.00 0.00 C ATOM 42 OG SER A 133 -2.299 15.785 10.984 1.00 0.00 O ATOM 0 H SER A 133 -2.530 11.554 9.864 1.00 0.00 H new ATOM 0 HA SER A 133 -3.424 13.642 11.570 1.00 0.00 H new ATOM 0 HB2 SER A 133 -0.941 14.256 10.753 1.00 0.00 H new ATOM 0 HB3 SER A 133 -1.786 14.731 9.293 1.00 0.00 H new ATOM 0 HG SER A 133 -1.620 16.471 10.816 1.00 0.00 H new ATOM 48 N SER A 134 -4.751 12.418 9.380 1.00 0.00 N ATOM 49 CA SER A 134 -5.804 12.328 8.375 1.00 0.00 C ATOM 50 C SER A 134 -6.947 11.443 8.864 1.00 0.00 C ATOM 51 O SER A 134 -6.892 10.888 9.961 1.00 0.00 O ATOM 52 CB SER A 134 -5.241 11.774 7.065 1.00 0.00 C ATOM 53 OG SER A 134 -4.489 10.594 7.290 1.00 0.00 O ATOM 0 H SER A 134 -4.640 11.580 9.950 1.00 0.00 H new ATOM 0 HA SER A 134 -6.193 13.331 8.200 1.00 0.00 H new ATOM 0 HB2 SER A 134 -6.058 11.562 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 134 -4.610 12.526 6.590 1.00 0.00 H new ATOM 0 HG SER A 134 -4.142 10.260 6.437 1.00 0.00 H new ATOM 59 N GLY A 135 -7.983 11.317 8.040 1.00 0.00 N ATOM 60 CA GLY A 135 -9.126 10.500 8.405 1.00 0.00 C ATOM 61 C GLY A 135 -8.857 9.018 8.234 1.00 0.00 C ATOM 62 O GLY A 135 -7.849 8.628 7.645 1.00 0.00 O ATOM 0 H GLY A 135 -8.051 11.766 7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -9.395 10.700 9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -9.982 10.784 7.793 1.00 0.00 H new ATOM 66 N GLU A 136 -9.760 8.191 8.750 1.00 0.00 N ATOM 67 CA GLU A 136 -9.613 6.743 8.653 1.00 0.00 C ATOM 68 C GLU A 136 -9.909 6.261 7.235 1.00 0.00 C ATOM 69 O GLU A 136 -10.491 6.986 6.429 1.00 0.00 O ATOM 70 CB GLU A 136 -10.545 6.046 9.646 1.00 0.00 C ATOM 71 CG GLU A 136 -12.017 6.334 9.405 1.00 0.00 C ATOM 72 CD GLU A 136 -12.665 7.068 10.563 1.00 0.00 C ATOM 73 OE1 GLU A 136 -12.651 6.530 11.689 1.00 0.00 O ATOM 74 OE2 GLU A 136 -13.187 8.181 10.342 1.00 0.00 O ATOM 0 H GLU A 136 -10.601 8.498 9.239 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.581 6.490 8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -10.380 4.970 9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -10.283 6.358 10.657 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -12.123 6.929 8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -12.544 5.395 9.234 1.00 0.00 H new ATOM 81 N LYS A 137 -9.503 5.031 6.939 1.00 0.00 N ATOM 82 CA LYS A 137 -9.724 4.449 5.620 1.00 0.00 C ATOM 83 C LYS A 137 -10.716 3.292 5.695 1.00 0.00 C ATOM 84 O LYS A 137 -10.899 2.667 6.740 1.00 0.00 O ATOM 85 CB LYS A 137 -8.400 3.961 5.027 1.00 0.00 C ATOM 86 CG LYS A 137 -7.481 5.087 4.584 1.00 0.00 C ATOM 87 CD LYS A 137 -6.451 4.602 3.578 1.00 0.00 C ATOM 88 CE LYS A 137 -5.474 5.707 3.205 1.00 0.00 C ATOM 89 NZ LYS A 137 -4.099 5.180 2.983 1.00 0.00 N ATOM 0 H LYS A 137 -9.019 4.418 7.595 1.00 0.00 H new ATOM 0 HA LYS A 137 -10.142 5.222 4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -7.883 3.351 5.767 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -8.609 3.317 4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -8.073 5.889 4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -6.973 5.507 5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.904 3.756 3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.957 4.244 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -5.821 6.209 2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.453 6.455 3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -3.429 5.690 3.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -4.074 4.166 3.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -3.832 5.315 1.987 1.00 0.00 H new ATOM 103 N PRO A 138 -11.371 2.999 4.562 1.00 0.00 N ATOM 104 CA PRO A 138 -12.353 1.915 4.474 1.00 0.00 C ATOM 105 C PRO A 138 -11.707 0.537 4.572 1.00 0.00 C ATOM 106 O PRO A 138 -12.389 -0.466 4.783 1.00 0.00 O ATOM 107 CB PRO A 138 -12.979 2.114 3.091 1.00 0.00 C ATOM 108 CG PRO A 138 -11.934 2.825 2.302 1.00 0.00 C ATOM 109 CD PRO A 138 -11.202 3.703 3.280 1.00 0.00 C ATOM 0 HA PRO A 138 -13.072 1.951 5.292 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -13.240 1.160 2.633 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -13.896 2.700 3.152 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -11.254 2.117 1.828 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -12.383 3.418 1.505 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -10.150 3.809 3.015 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -11.625 4.707 3.314 1.00 0.00 H new ATOM 117 N TYR A 139 -10.388 0.495 4.419 1.00 0.00 N ATOM 118 CA TYR A 139 -9.650 -0.760 4.489 1.00 0.00 C ATOM 119 C TYR A 139 -8.450 -0.635 5.422 1.00 0.00 C ATOM 120 O TYR A 139 -7.834 0.426 5.519 1.00 0.00 O ATOM 121 CB TYR A 139 -9.184 -1.180 3.094 1.00 0.00 C ATOM 122 CG TYR A 139 -10.286 -1.170 2.059 1.00 0.00 C ATOM 123 CD1 TYR A 139 -11.258 -2.164 2.041 1.00 0.00 C ATOM 124 CD2 TYR A 139 -10.355 -0.169 1.098 1.00 0.00 C ATOM 125 CE1 TYR A 139 -12.266 -2.159 1.097 1.00 0.00 C ATOM 126 CE2 TYR A 139 -11.361 -0.156 0.151 1.00 0.00 C ATOM 127 CZ TYR A 139 -12.314 -1.153 0.154 1.00 0.00 C ATOM 128 OH TYR A 139 -13.316 -1.145 -0.788 1.00 0.00 O ATOM 0 H TYR A 139 -9.808 1.316 4.246 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.318 -1.524 4.887 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.387 -0.511 2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -8.758 -2.182 3.149 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.224 -2.953 2.778 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.609 0.612 1.091 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -13.013 -2.939 1.097 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -11.401 0.631 -0.588 1.00 0.00 H new ATOM 0 HH TYR A 139 -13.206 -0.369 -1.376 1.00 0.00 H new ATOM 138 N GLN A 140 -8.124 -1.727 6.106 1.00 0.00 N ATOM 139 CA GLN A 140 -6.998 -1.740 7.032 1.00 0.00 C ATOM 140 C GLN A 140 -6.387 -3.135 7.126 1.00 0.00 C ATOM 141 O GLN A 140 -7.090 -4.118 7.361 1.00 0.00 O ATOM 142 CB GLN A 140 -7.444 -1.271 8.418 1.00 0.00 C ATOM 143 CG GLN A 140 -6.304 -1.158 9.418 1.00 0.00 C ATOM 144 CD GLN A 140 -6.675 -1.690 10.788 1.00 0.00 C ATOM 145 OE1 GLN A 140 -7.847 -1.702 11.166 1.00 0.00 O ATOM 146 NE2 GLN A 140 -5.676 -2.134 11.542 1.00 0.00 N ATOM 0 H GLN A 140 -8.623 -2.614 6.036 1.00 0.00 H new ATOM 0 HA GLN A 140 -6.240 -1.056 6.652 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -7.932 -0.301 8.325 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -8.189 -1.966 8.806 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.440 -1.706 9.042 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -6.006 -0.113 9.507 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -4.719 -2.106 11.189 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -5.865 -2.503 12.474 1.00 0.00 H new ATOM 155 N CYS A 141 -5.073 -3.213 6.942 1.00 0.00 N ATOM 156 CA CYS A 141 -4.367 -4.487 7.005 1.00 0.00 C ATOM 157 C CYS A 141 -4.358 -5.034 8.430 1.00 0.00 C ATOM 158 O CYS A 141 -4.151 -4.293 9.391 1.00 0.00 O ATOM 159 CB CYS A 141 -2.931 -4.324 6.502 1.00 0.00 C ATOM 160 SG CYS A 141 -2.060 -5.897 6.216 1.00 0.00 S ATOM 0 H CYS A 141 -4.476 -2.409 6.748 1.00 0.00 H new ATOM 0 HA CYS A 141 -4.892 -5.196 6.365 1.00 0.00 H new ATOM 0 HB2 CYS A 141 -2.946 -3.755 5.572 1.00 0.00 H new ATOM 0 HB3 CYS A 141 -2.368 -3.736 7.227 1.00 0.00 H new ATOM 165 N LYS A 142 -4.585 -6.337 8.558 1.00 0.00 N ATOM 166 CA LYS A 142 -4.602 -6.986 9.864 1.00 0.00 C ATOM 167 C LYS A 142 -3.322 -7.784 10.092 1.00 0.00 C ATOM 168 O LYS A 142 -3.315 -8.762 10.838 1.00 0.00 O ATOM 169 CB LYS A 142 -5.818 -7.908 9.982 1.00 0.00 C ATOM 170 CG LYS A 142 -5.796 -9.072 9.007 1.00 0.00 C ATOM 171 CD LYS A 142 -6.674 -8.801 7.796 1.00 0.00 C ATOM 172 CE LYS A 142 -6.565 -9.917 6.768 1.00 0.00 C ATOM 173 NZ LYS A 142 -7.383 -11.102 7.147 1.00 0.00 N ATOM 0 H LYS A 142 -4.760 -6.965 7.773 1.00 0.00 H new ATOM 0 HA LYS A 142 -4.666 -6.210 10.627 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.871 -8.298 10.999 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.723 -7.324 9.817 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -4.772 -9.256 8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -6.138 -9.976 9.511 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.712 -8.697 8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.384 -7.855 7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -6.890 -9.548 5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.521 -10.214 6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.282 -11.840 6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -7.057 -11.470 8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -8.383 -10.824 7.221 1.00 0.00 H new ATOM 187 N GLU A 143 -2.241 -7.358 9.446 1.00 0.00 N ATOM 188 CA GLU A 143 -0.956 -8.033 9.580 1.00 0.00 C ATOM 189 C GLU A 143 0.110 -7.076 10.107 1.00 0.00 C ATOM 190 O GLU A 143 1.003 -7.474 10.855 1.00 0.00 O ATOM 191 CB GLU A 143 -0.516 -8.612 8.234 1.00 0.00 C ATOM 192 CG GLU A 143 -1.616 -9.368 7.507 1.00 0.00 C ATOM 193 CD GLU A 143 -2.229 -10.465 8.356 1.00 0.00 C ATOM 194 OE1 GLU A 143 -1.589 -10.877 9.346 1.00 0.00 O ATOM 195 OE2 GLU A 143 -3.349 -10.911 8.030 1.00 0.00 O ATOM 0 H GLU A 143 -2.230 -6.549 8.825 1.00 0.00 H new ATOM 0 HA GLU A 143 -1.075 -8.846 10.296 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -0.162 -7.801 7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 143 0.328 -9.282 8.395 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -2.395 -8.668 7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -1.210 -9.804 6.594 1.00 0.00 H new ATOM 202 N CYS A 144 0.009 -5.812 9.711 1.00 0.00 N ATOM 203 CA CYS A 144 0.963 -4.797 10.141 1.00 0.00 C ATOM 204 C CYS A 144 0.241 -3.571 10.695 1.00 0.00 C ATOM 205 O CYS A 144 0.688 -2.959 11.663 1.00 0.00 O ATOM 206 CB CYS A 144 1.864 -4.388 8.975 1.00 0.00 C ATOM 207 SG CYS A 144 0.959 -3.829 7.496 1.00 0.00 S ATOM 0 H CYS A 144 -0.725 -5.466 9.092 1.00 0.00 H new ATOM 0 HA CYS A 144 1.577 -5.224 10.934 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.527 -3.589 9.306 1.00 0.00 H new ATOM 0 HB3 CYS A 144 2.495 -5.234 8.703 1.00 0.00 H new ATOM 212 N GLY A 145 -0.880 -3.220 10.071 1.00 0.00 N ATOM 213 CA GLY A 145 -1.646 -2.070 10.515 1.00 0.00 C ATOM 214 C GLY A 145 -1.787 -1.016 9.435 1.00 0.00 C ATOM 215 O GLY A 145 -2.110 0.138 9.721 1.00 0.00 O ATOM 0 H GLY A 145 -1.271 -3.711 9.267 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.637 -2.397 10.831 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -1.162 -1.630 11.387 1.00 0.00 H new ATOM 219 N LYS A 146 -1.544 -1.410 8.190 1.00 0.00 N ATOM 220 CA LYS A 146 -1.645 -0.492 7.062 1.00 0.00 C ATOM 221 C LYS A 146 -3.103 -0.170 6.751 1.00 0.00 C ATOM 222 O LYS A 146 -4.015 -0.712 7.375 1.00 0.00 O ATOM 223 CB LYS A 146 -0.969 -1.092 5.827 1.00 0.00 C ATOM 224 CG LYS A 146 0.301 -0.368 5.416 1.00 0.00 C ATOM 225 CD LYS A 146 0.369 -0.172 3.910 1.00 0.00 C ATOM 226 CE LYS A 146 0.971 1.178 3.551 1.00 0.00 C ATOM 227 NZ LYS A 146 2.406 1.060 3.168 1.00 0.00 N ATOM 0 H LYS A 146 -1.275 -2.361 7.936 1.00 0.00 H new ATOM 0 HA LYS A 146 -1.137 0.434 7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.733 -2.138 6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -1.672 -1.075 4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 146 0.345 0.601 5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.169 -0.937 5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 146 0.966 -0.968 3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.632 -0.250 3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 146 0.410 1.618 2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 146 0.876 1.856 4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 2.780 2.001 2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 2.946 0.663 3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 2.495 0.434 2.343 1.00 0.00 H new ATOM 241 N SER A 147 -3.315 0.714 5.782 1.00 0.00 N ATOM 242 CA SER A 147 -4.663 1.110 5.390 1.00 0.00 C ATOM 243 C SER A 147 -4.688 1.595 3.943 1.00 0.00 C ATOM 244 O SER A 147 -3.816 2.351 3.515 1.00 0.00 O ATOM 245 CB SER A 147 -5.185 2.209 6.317 1.00 0.00 C ATOM 246 OG SER A 147 -4.681 3.478 5.937 1.00 0.00 O ATOM 0 H SER A 147 -2.571 1.170 5.254 1.00 0.00 H new ATOM 0 HA SER A 147 -5.310 0.237 5.474 1.00 0.00 H new ATOM 0 HB2 SER A 147 -6.275 2.224 6.291 1.00 0.00 H new ATOM 0 HB3 SER A 147 -4.894 1.991 7.345 1.00 0.00 H new ATOM 0 HG SER A 147 -5.030 4.164 6.544 1.00 0.00 H new ATOM 252 N PHE A 148 -5.693 1.153 3.195 1.00 0.00 N ATOM 253 CA PHE A 148 -5.833 1.540 1.796 1.00 0.00 C ATOM 254 C PHE A 148 -7.233 2.077 1.517 1.00 0.00 C ATOM 255 O PHE A 148 -8.149 1.901 2.321 1.00 0.00 O ATOM 256 CB PHE A 148 -5.541 0.347 0.883 1.00 0.00 C ATOM 257 CG PHE A 148 -4.139 -0.178 1.013 1.00 0.00 C ATOM 258 CD1 PHE A 148 -3.788 -0.997 2.073 1.00 0.00 C ATOM 259 CD2 PHE A 148 -3.174 0.147 0.074 1.00 0.00 C ATOM 260 CE1 PHE A 148 -2.499 -1.481 2.195 1.00 0.00 C ATOM 261 CE2 PHE A 148 -1.883 -0.334 0.190 1.00 0.00 C ATOM 262 CZ PHE A 148 -1.546 -1.150 1.252 1.00 0.00 C ATOM 0 H PHE A 148 -6.423 0.526 3.534 1.00 0.00 H new ATOM 0 HA PHE A 148 -5.112 2.331 1.591 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -6.243 -0.455 1.110 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -5.716 0.640 -0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -4.530 -1.261 2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -3.433 0.784 -0.759 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -2.237 -2.118 3.027 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -1.140 -0.072 -0.548 1.00 0.00 H new ATOM 0 HZ PHE A 148 -0.539 -1.529 1.345 1.00 0.00 H new ATOM 272 N SER A 149 -7.392 2.735 0.373 1.00 0.00 N ATOM 273 CA SER A 149 -8.679 3.302 -0.011 1.00 0.00 C ATOM 274 C SER A 149 -9.279 2.540 -1.189 1.00 0.00 C ATOM 275 O SER A 149 -10.172 3.038 -1.873 1.00 0.00 O ATOM 276 CB SER A 149 -8.522 4.780 -0.373 1.00 0.00 C ATOM 277 OG SER A 149 -8.404 4.952 -1.774 1.00 0.00 O ATOM 0 H SER A 149 -6.645 2.889 -0.304 1.00 0.00 H new ATOM 0 HA SER A 149 -9.355 3.213 0.840 1.00 0.00 H new ATOM 0 HB2 SER A 149 -9.381 5.341 -0.006 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.640 5.187 0.122 1.00 0.00 H new ATOM 0 HG SER A 149 -9.226 4.648 -2.211 1.00 0.00 H new ATOM 283 N GLN A 150 -8.781 1.329 -1.417 1.00 0.00 N ATOM 284 CA GLN A 150 -9.267 0.498 -2.512 1.00 0.00 C ATOM 285 C GLN A 150 -9.229 -0.979 -2.133 1.00 0.00 C ATOM 286 O GLN A 150 -8.199 -1.491 -1.694 1.00 0.00 O ATOM 287 CB GLN A 150 -8.430 0.735 -3.771 1.00 0.00 C ATOM 288 CG GLN A 150 -8.167 2.204 -4.058 1.00 0.00 C ATOM 289 CD GLN A 150 -7.732 2.449 -5.490 1.00 0.00 C ATOM 290 OE1 GLN A 150 -6.601 2.143 -5.868 1.00 0.00 O ATOM 291 NE2 GLN A 150 -8.630 3.005 -6.295 1.00 0.00 N ATOM 0 H GLN A 150 -8.042 0.902 -0.859 1.00 0.00 H new ATOM 0 HA GLN A 150 -10.301 0.776 -2.714 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.477 0.217 -3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -8.941 0.292 -4.626 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -9.071 2.778 -3.853 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.396 2.571 -3.380 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -9.556 3.242 -5.939 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -8.394 3.195 -7.269 1.00 0.00 H new ATOM 300 N ARG A 151 -10.359 -1.658 -2.305 1.00 0.00 N ATOM 301 CA ARG A 151 -10.455 -3.076 -1.979 1.00 0.00 C ATOM 302 C ARG A 151 -9.358 -3.871 -2.680 1.00 0.00 C ATOM 303 O ARG A 151 -8.827 -4.835 -2.131 1.00 0.00 O ATOM 304 CB ARG A 151 -11.828 -3.620 -2.376 1.00 0.00 C ATOM 305 CG ARG A 151 -12.052 -5.067 -1.966 1.00 0.00 C ATOM 306 CD ARG A 151 -13.320 -5.222 -1.141 1.00 0.00 C ATOM 307 NE ARG A 151 -13.711 -6.621 -0.996 1.00 0.00 N ATOM 308 CZ ARG A 151 -14.199 -7.354 -1.991 1.00 0.00 C ATOM 309 NH1 ARG A 151 -14.355 -6.823 -3.196 1.00 0.00 N ATOM 310 NH2 ARG A 151 -14.533 -8.622 -1.781 1.00 0.00 N ATOM 0 H ARG A 151 -11.220 -1.249 -2.668 1.00 0.00 H new ATOM 0 HA ARG A 151 -10.326 -3.185 -0.902 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -12.600 -2.999 -1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -11.944 -3.535 -3.456 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -12.117 -5.693 -2.856 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -11.196 -5.420 -1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -13.166 -4.785 -0.155 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -14.130 -4.666 -1.613 1.00 0.00 H new ATOM 0 HE ARG A 151 -13.604 -7.060 -0.081 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -14.100 -5.849 -3.361 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -14.730 -7.388 -3.958 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -14.415 -9.034 -0.855 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -14.908 -9.184 -2.545 1.00 0.00 H new ATOM 324 N GLY A 152 -9.023 -3.459 -3.900 1.00 0.00 N ATOM 325 CA GLY A 152 -7.992 -4.144 -4.657 1.00 0.00 C ATOM 326 C GLY A 152 -6.596 -3.815 -4.165 1.00 0.00 C ATOM 327 O GLY A 152 -5.738 -4.693 -4.080 1.00 0.00 O ATOM 0 H GLY A 152 -9.447 -2.663 -4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -8.152 -5.220 -4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -8.077 -3.872 -5.709 1.00 0.00 H new ATOM 331 N SER A 153 -6.368 -2.546 -3.841 1.00 0.00 N ATOM 332 CA SER A 153 -5.065 -2.102 -3.360 1.00 0.00 C ATOM 333 C SER A 153 -4.657 -2.872 -2.108 1.00 0.00 C ATOM 334 O SER A 153 -3.544 -3.393 -2.020 1.00 0.00 O ATOM 335 CB SER A 153 -5.092 -0.601 -3.063 1.00 0.00 C ATOM 336 OG SER A 153 -5.235 0.152 -4.255 1.00 0.00 O ATOM 0 H SER A 153 -7.069 -1.807 -3.903 1.00 0.00 H new ATOM 0 HA SER A 153 -4.331 -2.298 -4.141 1.00 0.00 H new ATOM 0 HB2 SER A 153 -5.916 -0.376 -2.386 1.00 0.00 H new ATOM 0 HB3 SER A 153 -4.173 -0.311 -2.554 1.00 0.00 H new ATOM 0 HG SER A 153 -5.251 1.108 -4.038 1.00 0.00 H new ATOM 342 N LEU A 154 -5.566 -2.941 -1.141 1.00 0.00 N ATOM 343 CA LEU A 154 -5.302 -3.648 0.108 1.00 0.00 C ATOM 344 C LEU A 154 -4.883 -5.089 -0.160 1.00 0.00 C ATOM 345 O LEU A 154 -3.882 -5.565 0.374 1.00 0.00 O ATOM 346 CB LEU A 154 -6.543 -3.623 1.002 1.00 0.00 C ATOM 347 CG LEU A 154 -6.576 -4.653 2.132 1.00 0.00 C ATOM 348 CD1 LEU A 154 -5.436 -4.411 3.109 1.00 0.00 C ATOM 349 CD2 LEU A 154 -7.916 -4.612 2.852 1.00 0.00 C ATOM 0 H LEU A 154 -6.492 -2.516 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 154 -4.483 -3.141 0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -6.631 -2.629 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.422 -3.773 0.375 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.450 -5.645 1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.476 -5.154 3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.484 -4.492 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.530 -3.413 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.922 -5.351 3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -8.072 -3.619 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.715 -4.836 2.146 1.00 0.00 H new ATOM 361 N ALA A 155 -5.655 -5.779 -0.994 1.00 0.00 N ATOM 362 CA ALA A 155 -5.361 -7.165 -1.337 1.00 0.00 C ATOM 363 C ALA A 155 -3.914 -7.324 -1.790 1.00 0.00 C ATOM 364 O ALA A 155 -3.196 -8.203 -1.312 1.00 0.00 O ATOM 365 CB ALA A 155 -6.312 -7.654 -2.420 1.00 0.00 C ATOM 0 H ALA A 155 -6.488 -5.401 -1.444 1.00 0.00 H new ATOM 0 HA ALA A 155 -5.503 -7.772 -0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -6.081 -8.690 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -7.339 -7.587 -2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -6.198 -7.036 -3.310 1.00 0.00 H new ATOM 371 N VAL A 156 -3.491 -6.468 -2.714 1.00 0.00 N ATOM 372 CA VAL A 156 -2.128 -6.513 -3.231 1.00 0.00 C ATOM 373 C VAL A 156 -1.108 -6.417 -2.102 1.00 0.00 C ATOM 374 O VAL A 156 0.003 -6.938 -2.208 1.00 0.00 O ATOM 375 CB VAL A 156 -1.872 -5.376 -4.238 1.00 0.00 C ATOM 376 CG1 VAL A 156 -0.504 -5.533 -4.884 1.00 0.00 C ATOM 377 CG2 VAL A 156 -2.968 -5.341 -5.292 1.00 0.00 C ATOM 0 H VAL A 156 -4.072 -5.735 -3.120 1.00 0.00 H new ATOM 0 HA VAL A 156 -2.014 -7.471 -3.739 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.887 -4.428 -3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -0.341 -4.721 -5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 156 0.267 -5.504 -4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -0.457 -6.487 -5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -2.771 -4.532 -5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -2.988 -6.290 -5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.931 -5.176 -4.810 1.00 0.00 H new ATOM 387 N HIS A 157 -1.493 -5.749 -1.020 1.00 0.00 N ATOM 388 CA HIS A 157 -0.613 -5.585 0.132 1.00 0.00 C ATOM 389 C HIS A 157 -0.807 -6.722 1.130 1.00 0.00 C ATOM 390 O HIS A 157 0.033 -6.945 2.002 1.00 0.00 O ATOM 391 CB HIS A 157 -0.874 -4.242 0.813 1.00 0.00 C ATOM 392 CG HIS A 157 -0.172 -4.091 2.128 1.00 0.00 C ATOM 393 ND1 HIS A 157 1.065 -3.497 2.257 1.00 0.00 N ATOM 394 CD2 HIS A 157 -0.543 -4.459 3.377 1.00 0.00 C ATOM 395 CE1 HIS A 157 1.427 -3.508 3.528 1.00 0.00 C ATOM 396 NE2 HIS A 157 0.468 -4.086 4.228 1.00 0.00 N ATOM 0 H HIS A 157 -2.409 -5.312 -0.916 1.00 0.00 H new ATOM 0 HA HIS A 157 0.417 -5.609 -0.223 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -0.558 -3.439 0.147 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -1.947 -4.125 0.967 1.00 0.00 H new ATOM 0 HD1 HIS A 157 1.615 -3.109 1.491 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -1.463 -4.954 3.653 1.00 0.00 H new ATOM 0 HE1 HIS A 157 2.350 -3.112 3.926 1.00 0.00 H new ATOM 404 N GLU A 158 -1.920 -7.437 0.997 1.00 0.00 N ATOM 405 CA GLU A 158 -2.224 -8.550 1.889 1.00 0.00 C ATOM 406 C GLU A 158 -1.699 -9.864 1.318 1.00 0.00 C ATOM 407 O GLU A 158 -1.639 -10.876 2.016 1.00 0.00 O ATOM 408 CB GLU A 158 -3.733 -8.648 2.122 1.00 0.00 C ATOM 409 CG GLU A 158 -4.338 -7.393 2.728 1.00 0.00 C ATOM 410 CD GLU A 158 -5.262 -7.694 3.892 1.00 0.00 C ATOM 411 OE1 GLU A 158 -6.352 -8.254 3.654 1.00 0.00 O ATOM 412 OE2 GLU A 158 -4.894 -7.371 5.041 1.00 0.00 O ATOM 0 H GLU A 158 -2.626 -7.265 0.281 1.00 0.00 H new ATOM 0 HA GLU A 158 -1.728 -8.365 2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.226 -8.857 1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -3.936 -9.493 2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -3.537 -6.735 3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -4.892 -6.854 1.960 1.00 0.00 H new ATOM 419 N ARG A 159 -1.323 -9.840 0.044 1.00 0.00 N ATOM 420 CA ARG A 159 -0.806 -11.030 -0.623 1.00 0.00 C ATOM 421 C ARG A 159 0.719 -11.006 -0.670 1.00 0.00 C ATOM 422 O ARG A 159 1.372 -12.039 -0.510 1.00 0.00 O ATOM 423 CB ARG A 159 -1.369 -11.131 -2.041 1.00 0.00 C ATOM 424 CG ARG A 159 -1.011 -9.947 -2.925 1.00 0.00 C ATOM 425 CD ARG A 159 0.161 -10.268 -3.839 1.00 0.00 C ATOM 426 NE ARG A 159 -0.123 -11.400 -4.716 1.00 0.00 N ATOM 427 CZ ARG A 159 0.777 -11.946 -5.526 1.00 0.00 C ATOM 428 NH1 ARG A 159 2.012 -11.467 -5.569 1.00 0.00 N ATOM 429 NH2 ARG A 159 0.442 -12.974 -6.295 1.00 0.00 N ATOM 0 H ARG A 159 -1.366 -9.010 -0.547 1.00 0.00 H new ATOM 0 HA ARG A 159 -1.122 -11.903 -0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -0.999 -12.045 -2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -2.454 -11.218 -1.987 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -1.876 -9.666 -3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -0.763 -9.088 -2.302 1.00 0.00 H new ATOM 0 HD2 ARG A 159 0.400 -9.393 -4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 159 1.041 -10.489 -3.236 1.00 0.00 H new ATOM 0 HE ARG A 159 -1.064 -11.793 -4.706 1.00 0.00 H new ATOM 0 HH11 ARG A 159 2.273 -10.677 -4.979 1.00 0.00 H new ATOM 0 HH12 ARG A 159 2.701 -11.888 -6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -0.507 -13.346 -6.264 1.00 0.00 H new ATOM 0 HH22 ARG A 159 1.134 -13.393 -6.917 1.00 0.00 H new ATOM 443 N LEU A 160 1.281 -9.823 -0.891 1.00 0.00 N ATOM 444 CA LEU A 160 2.730 -9.665 -0.961 1.00 0.00 C ATOM 445 C LEU A 160 3.365 -9.856 0.413 1.00 0.00 C ATOM 446 O LEU A 160 4.581 -10.008 0.531 1.00 0.00 O ATOM 447 CB LEU A 160 3.086 -8.284 -1.512 1.00 0.00 C ATOM 448 CG LEU A 160 3.571 -7.257 -0.489 1.00 0.00 C ATOM 449 CD1 LEU A 160 4.024 -5.983 -1.184 1.00 0.00 C ATOM 450 CD2 LEU A 160 2.476 -6.954 0.523 1.00 0.00 C ATOM 0 H LEU A 160 0.756 -8.959 -1.025 1.00 0.00 H new ATOM 0 HA LEU A 160 3.122 -10.429 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 160 3.860 -8.406 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 160 2.208 -7.879 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 160 4.424 -7.678 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 160 4.366 -5.264 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.841 -6.213 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.191 -5.558 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.839 -6.221 1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.604 -6.554 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.200 -7.870 1.045 1.00 0.00 H new ATOM 462 N HIS A 161 2.533 -9.849 1.450 1.00 0.00 N ATOM 463 CA HIS A 161 3.012 -10.024 2.816 1.00 0.00 C ATOM 464 C HIS A 161 3.849 -11.293 2.940 1.00 0.00 C ATOM 465 O HIS A 161 4.939 -11.278 3.513 1.00 0.00 O ATOM 466 CB HIS A 161 1.834 -10.078 3.790 1.00 0.00 C ATOM 467 CG HIS A 161 1.679 -8.837 4.613 1.00 0.00 C ATOM 468 ND1 HIS A 161 2.622 -8.419 5.529 1.00 0.00 N ATOM 469 CD2 HIS A 161 0.685 -7.920 4.654 1.00 0.00 C ATOM 470 CE1 HIS A 161 2.213 -7.299 6.098 1.00 0.00 C ATOM 471 NE2 HIS A 161 1.040 -6.975 5.585 1.00 0.00 N ATOM 0 H HIS A 161 1.524 -9.724 1.370 1.00 0.00 H new ATOM 0 HA HIS A 161 3.641 -9.170 3.066 1.00 0.00 H new ATOM 0 HB2 HIS A 161 0.916 -10.248 3.228 1.00 0.00 H new ATOM 0 HB3 HIS A 161 1.963 -10.932 4.456 1.00 0.00 H new ATOM 0 HD1 HIS A 161 3.498 -8.899 5.735 1.00 0.00 H new ATOM 0 HD2 HIS A 161 -0.220 -7.929 4.064 1.00 0.00 H new ATOM 0 HE1 HIS A 161 2.747 -6.743 6.854 1.00 0.00 H new ATOM 479 N THR A 162 3.332 -12.392 2.400 1.00 0.00 N ATOM 480 CA THR A 162 4.030 -13.671 2.452 1.00 0.00 C ATOM 481 C THR A 162 5.359 -13.602 1.709 1.00 0.00 C ATOM 482 O THR A 162 5.422 -13.141 0.570 1.00 0.00 O ATOM 483 CB THR A 162 3.176 -14.802 1.848 1.00 0.00 C ATOM 484 OG1 THR A 162 3.932 -16.017 1.804 1.00 0.00 O ATOM 485 CG2 THR A 162 2.708 -14.438 0.447 1.00 0.00 C ATOM 0 H THR A 162 2.432 -12.422 1.921 1.00 0.00 H new ATOM 0 HA THR A 162 4.215 -13.888 3.504 1.00 0.00 H new ATOM 0 HB THR A 162 2.300 -14.943 2.481 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.381 -16.731 1.420 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.107 -15.252 0.041 1.00 0.00 H new ATOM 0 HG22 THR A 162 2.108 -13.529 0.489 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.574 -14.272 -0.194 1.00 0.00 H new ATOM 493 N GLY A 163 6.421 -14.063 2.362 1.00 0.00 N ATOM 494 CA GLY A 163 7.736 -14.045 1.747 1.00 0.00 C ATOM 495 C GLY A 163 8.622 -12.949 2.305 1.00 0.00 C ATOM 496 O GLY A 163 9.119 -12.104 1.560 1.00 0.00 O ATOM 0 H GLY A 163 6.395 -14.449 3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 163 8.218 -15.011 1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 163 7.629 -13.909 0.671 1.00 0.00 H new ATOM 500 N SER A 164 8.818 -12.960 3.619 1.00 0.00 N ATOM 501 CA SER A 164 9.646 -11.956 4.277 1.00 0.00 C ATOM 502 C SER A 164 10.186 -12.481 5.604 1.00 0.00 C ATOM 503 O SER A 164 9.445 -13.040 6.411 1.00 0.00 O ATOM 504 CB SER A 164 8.841 -10.676 4.512 1.00 0.00 C ATOM 505 OG SER A 164 9.567 -9.533 4.093 1.00 0.00 O ATOM 0 H SER A 164 8.415 -13.653 4.249 1.00 0.00 H new ATOM 0 HA SER A 164 10.490 -11.732 3.625 1.00 0.00 H new ATOM 0 HB2 SER A 164 7.898 -10.731 3.969 1.00 0.00 H new ATOM 0 HB3 SER A 164 8.595 -10.587 5.570 1.00 0.00 H new ATOM 0 HG SER A 164 9.031 -8.728 4.252 1.00 0.00 H new ATOM 511 N GLY A 165 11.485 -12.298 5.821 1.00 0.00 N ATOM 512 CA GLY A 165 12.104 -12.759 7.050 1.00 0.00 C ATOM 513 C GLY A 165 13.218 -11.843 7.517 1.00 0.00 C ATOM 514 O GLY A 165 14.394 -12.206 7.507 1.00 0.00 O ATOM 0 H GLY A 165 12.120 -11.839 5.168 1.00 0.00 H new ATOM 0 HA2 GLY A 165 11.346 -12.831 7.830 1.00 0.00 H new ATOM 0 HA3 GLY A 165 12.502 -13.762 6.899 1.00 0.00 H new ATOM 518 N PRO A 166 12.850 -10.623 7.937 1.00 0.00 N ATOM 519 CA PRO A 166 13.812 -9.627 8.416 1.00 0.00 C ATOM 520 C PRO A 166 14.424 -10.011 9.759 1.00 0.00 C ATOM 521 O PRO A 166 14.110 -11.063 10.316 1.00 0.00 O ATOM 522 CB PRO A 166 12.968 -8.358 8.557 1.00 0.00 C ATOM 523 CG PRO A 166 11.577 -8.849 8.766 1.00 0.00 C ATOM 524 CD PRO A 166 11.465 -10.123 7.976 1.00 0.00 C ATOM 0 HA PRO A 166 14.659 -9.519 7.738 1.00 0.00 H new ATOM 0 HB2 PRO A 166 13.304 -7.751 9.398 1.00 0.00 H new ATOM 0 HB3 PRO A 166 13.038 -7.735 7.665 1.00 0.00 H new ATOM 0 HG2 PRO A 166 11.381 -9.027 9.823 1.00 0.00 H new ATOM 0 HG3 PRO A 166 10.848 -8.113 8.426 1.00 0.00 H new ATOM 0 HD2 PRO A 166 10.794 -10.836 8.456 1.00 0.00 H new ATOM 0 HD3 PRO A 166 11.075 -9.942 6.974 1.00 0.00 H new ATOM 532 N SER A 167 15.298 -9.153 10.273 1.00 0.00 N ATOM 533 CA SER A 167 15.957 -9.404 11.550 1.00 0.00 C ATOM 534 C SER A 167 14.934 -9.723 12.635 1.00 0.00 C ATOM 535 O SER A 167 14.962 -10.799 13.234 1.00 0.00 O ATOM 536 CB SER A 167 16.795 -8.193 11.963 1.00 0.00 C ATOM 537 OG SER A 167 16.605 -7.112 11.067 1.00 0.00 O ATOM 0 H SER A 167 15.567 -8.277 9.825 1.00 0.00 H new ATOM 0 HA SER A 167 16.613 -10.266 11.429 1.00 0.00 H new ATOM 0 HB2 SER A 167 16.522 -7.885 12.972 1.00 0.00 H new ATOM 0 HB3 SER A 167 17.849 -8.468 11.988 1.00 0.00 H new ATOM 0 HG SER A 167 17.150 -6.350 11.354 1.00 0.00 H new ATOM 543 N SER A 168 14.030 -8.781 12.883 1.00 0.00 N ATOM 544 CA SER A 168 12.999 -8.958 13.899 1.00 0.00 C ATOM 545 C SER A 168 11.974 -9.997 13.457 1.00 0.00 C ATOM 546 O SER A 168 11.906 -11.094 14.010 1.00 0.00 O ATOM 547 CB SER A 168 12.302 -7.627 14.187 1.00 0.00 C ATOM 548 OG SER A 168 12.947 -6.930 15.239 1.00 0.00 O ATOM 0 H SER A 168 13.991 -7.887 12.394 1.00 0.00 H new ATOM 0 HA SER A 168 13.480 -9.312 14.811 1.00 0.00 H new ATOM 0 HB2 SER A 168 12.300 -7.012 13.287 1.00 0.00 H new ATOM 0 HB3 SER A 168 11.260 -7.808 14.452 1.00 0.00 H new ATOM 0 HG SER A 168 12.483 -6.082 15.402 1.00 0.00 H new ATOM 554 N GLY A 169 11.176 -9.643 12.453 1.00 0.00 N ATOM 555 CA GLY A 169 10.164 -10.555 11.953 1.00 0.00 C ATOM 556 C GLY A 169 9.233 -11.043 13.044 1.00 0.00 C ATOM 557 O GLY A 169 8.916 -12.231 13.074 1.00 0.00 O ATOM 0 H GLY A 169 11.213 -8.741 11.978 1.00 0.00 H new ATOM 0 HA2 GLY A 169 9.581 -10.057 11.178 1.00 0.00 H new ATOM 0 HA3 GLY A 169 10.650 -11.411 11.485 1.00 0.00 H new TER 561 GLY A 169 HETATM 562 ZN ZN A 201 0.221 -5.221 5.981 1.00 0.00 ZN