USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 270 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 157 HIS HE2 : A 157 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 161 HIS HE2 : A 161 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 137 LYS NZ :NH3+ -149:sc= 0.313 (180deg=0.162) USER MOD Set 1.2: A 147 SER OG : rot 180:sc= 0.285 USER MOD Single : A 130 SER OG : rot -55:sc= 0.0735 USER MOD Single : A 131 SER OG : rot 60:sc= 0.695 USER MOD Single : A 133 SER OG : rot 46:sc= 0.0678 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.464 USER MOD Single : A 140 GLN : amide:sc= 0.323 X(o=0.32,f=-0.096) 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 64:sc= 0.439 USER MOD Single : A 150 GLN : amide:sc= -1.33 K(o=-1.3,f=-3.1) USER MOD Single : A 153 SER OG : rot 180:sc= -0.335 USER MOD Single : A 162 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A 164 SER OG : rot 180:sc= 0 USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 129 5.921 11.930 8.834 1.00 0.00 N ATOM 2 CA GLY A 129 5.444 12.478 7.578 1.00 0.00 C ATOM 3 C GLY A 129 4.275 11.698 7.011 1.00 0.00 C ATOM 4 O GLY A 129 3.970 10.599 7.475 1.00 0.00 O ATOM 0 HA2 GLY A 129 5.146 13.516 7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 129 6.259 12.482 6.854 1.00 0.00 H new ATOM 8 N SER A 130 3.617 12.267 6.006 1.00 0.00 N ATOM 9 CA SER A 130 2.471 11.620 5.379 1.00 0.00 C ATOM 10 C SER A 130 1.417 11.252 6.420 1.00 0.00 C ATOM 11 O SER A 130 0.736 10.235 6.297 1.00 0.00 O ATOM 12 CB SER A 130 2.916 10.366 4.623 1.00 0.00 C ATOM 13 OG SER A 130 1.950 9.980 3.661 1.00 0.00 O ATOM 0 H SER A 130 3.858 13.175 5.609 1.00 0.00 H new ATOM 0 HA SER A 130 2.030 12.324 4.673 1.00 0.00 H new ATOM 0 HB2 SER A 130 3.870 10.554 4.130 1.00 0.00 H new ATOM 0 HB3 SER A 130 3.077 9.551 5.328 1.00 0.00 H new ATOM 0 HG SER A 130 1.081 9.865 4.098 1.00 0.00 H new ATOM 19 N SER A 131 1.291 12.089 7.445 1.00 0.00 N ATOM 20 CA SER A 131 0.324 11.852 8.510 1.00 0.00 C ATOM 21 C SER A 131 -0.260 13.167 9.017 1.00 0.00 C ATOM 22 O SER A 131 -0.411 13.370 10.221 1.00 0.00 O ATOM 23 CB SER A 131 0.981 11.094 9.665 1.00 0.00 C ATOM 24 OG SER A 131 1.794 11.956 10.443 1.00 0.00 O ATOM 0 H SER A 131 1.846 12.937 7.560 1.00 0.00 H new ATOM 0 HA SER A 131 -0.487 11.248 8.103 1.00 0.00 H new ATOM 0 HB2 SER A 131 0.212 10.647 10.295 1.00 0.00 H new ATOM 0 HB3 SER A 131 1.585 10.277 9.271 1.00 0.00 H new ATOM 0 HG SER A 131 1.243 12.675 10.818 1.00 0.00 H new ATOM 30 N GLY A 132 -0.587 14.060 8.087 1.00 0.00 N ATOM 31 CA GLY A 132 -1.151 15.345 8.457 1.00 0.00 C ATOM 32 C GLY A 132 -2.645 15.275 8.698 1.00 0.00 C ATOM 33 O GLY A 132 -3.095 15.218 9.842 1.00 0.00 O ATOM 0 H GLY A 132 -0.471 13.916 7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -0.658 15.709 9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -0.947 16.069 7.668 1.00 0.00 H new ATOM 37 N SER A 133 -3.418 15.281 7.616 1.00 0.00 N ATOM 38 CA SER A 133 -4.872 15.223 7.715 1.00 0.00 C ATOM 39 C SER A 133 -5.468 14.479 6.525 1.00 0.00 C ATOM 40 O SER A 133 -5.471 14.982 5.401 1.00 0.00 O ATOM 41 CB SER A 133 -5.455 16.635 7.793 1.00 0.00 C ATOM 42 OG SER A 133 -4.830 17.498 6.858 1.00 0.00 O ATOM 0 H SER A 133 -3.062 15.325 6.661 1.00 0.00 H new ATOM 0 HA SER A 133 -5.129 14.681 8.625 1.00 0.00 H new ATOM 0 HB2 SER A 133 -6.527 16.600 7.600 1.00 0.00 H new ATOM 0 HB3 SER A 133 -5.325 17.030 8.801 1.00 0.00 H new ATOM 0 HG SER A 133 -4.770 17.050 5.989 1.00 0.00 H new ATOM 48 N SER A 134 -5.974 13.276 6.779 1.00 0.00 N ATOM 49 CA SER A 134 -6.570 12.459 5.729 1.00 0.00 C ATOM 50 C SER A 134 -7.816 11.742 6.240 1.00 0.00 C ATOM 51 O SER A 134 -8.831 11.671 5.549 1.00 0.00 O ATOM 52 CB SER A 134 -5.556 11.437 5.211 1.00 0.00 C ATOM 53 OG SER A 134 -5.830 11.083 3.867 1.00 0.00 O ATOM 0 H SER A 134 -5.983 12.846 7.704 1.00 0.00 H new ATOM 0 HA SER A 134 -6.861 13.118 4.911 1.00 0.00 H new ATOM 0 HB2 SER A 134 -4.550 11.849 5.284 1.00 0.00 H new ATOM 0 HB3 SER A 134 -5.581 10.545 5.838 1.00 0.00 H new ATOM 0 HG SER A 134 -5.167 10.430 3.559 1.00 0.00 H new ATOM 59 N GLY A 135 -7.729 11.211 7.456 1.00 0.00 N ATOM 60 CA GLY A 135 -8.855 10.506 8.039 1.00 0.00 C ATOM 61 C GLY A 135 -8.743 9.003 7.881 1.00 0.00 C ATOM 62 O GLY A 135 -7.938 8.515 7.089 1.00 0.00 O ATOM 0 H GLY A 135 -6.899 11.257 8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -8.925 10.753 9.098 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -9.777 10.850 7.570 1.00 0.00 H new ATOM 66 N GLU A 136 -9.552 8.268 8.638 1.00 0.00 N ATOM 67 CA GLU A 136 -9.537 6.811 8.580 1.00 0.00 C ATOM 68 C GLU A 136 -9.828 6.321 7.164 1.00 0.00 C ATOM 69 O GLU A 136 -10.312 7.075 6.320 1.00 0.00 O ATOM 70 CB GLU A 136 -10.563 6.229 9.554 1.00 0.00 C ATOM 71 CG GLU A 136 -10.099 6.234 11.001 1.00 0.00 C ATOM 72 CD GLU A 136 -9.790 4.844 11.520 1.00 0.00 C ATOM 73 OE1 GLU A 136 -9.051 4.105 10.836 1.00 0.00 O ATOM 74 OE2 GLU A 136 -10.287 4.494 12.611 1.00 0.00 O ATOM 0 H GLU A 136 -10.225 8.657 9.298 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.542 6.471 8.867 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.489 6.798 9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -10.792 5.205 9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -9.209 6.857 11.091 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -10.870 6.687 11.624 1.00 0.00 H new ATOM 81 N LYS A 137 -9.529 5.051 6.911 1.00 0.00 N ATOM 82 CA LYS A 137 -9.758 4.457 5.599 1.00 0.00 C ATOM 83 C LYS A 137 -10.743 3.296 5.692 1.00 0.00 C ATOM 84 O LYS A 137 -10.910 2.675 6.742 1.00 0.00 O ATOM 85 CB LYS A 137 -8.437 3.973 4.998 1.00 0.00 C ATOM 86 CG LYS A 137 -7.519 5.100 4.558 1.00 0.00 C ATOM 87 CD LYS A 137 -6.470 4.613 3.572 1.00 0.00 C ATOM 88 CE LYS A 137 -5.491 5.719 3.209 1.00 0.00 C ATOM 89 NZ LYS A 137 -4.100 5.388 3.626 1.00 0.00 N ATOM 0 H LYS A 137 -9.127 4.413 7.598 1.00 0.00 H new ATOM 0 HA LYS A 137 -10.186 5.222 4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -7.917 3.358 5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -8.650 3.334 4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -8.109 5.893 4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.027 5.531 5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.927 3.772 4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.959 4.248 2.669 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -5.517 5.888 2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.801 6.649 3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -3.590 6.264 3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -4.126 4.769 4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -3.611 4.900 2.848 1.00 0.00 H new ATOM 103 N PRO A 138 -11.409 2.993 4.568 1.00 0.00 N ATOM 104 CA PRO A 138 -12.387 1.903 4.498 1.00 0.00 C ATOM 105 C PRO A 138 -11.732 0.530 4.596 1.00 0.00 C ATOM 106 O PRO A 138 -12.408 -0.477 4.809 1.00 0.00 O ATOM 107 CB PRO A 138 -13.030 2.092 3.121 1.00 0.00 C ATOM 108 CG PRO A 138 -11.998 2.804 2.316 1.00 0.00 C ATOM 109 CD PRO A 138 -11.260 3.691 3.280 1.00 0.00 C ATOM 0 HA PRO A 138 -13.097 1.938 5.324 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -13.292 1.134 2.671 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -13.949 2.674 3.190 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -11.320 2.097 1.838 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -12.459 3.390 1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -10.212 3.802 3.002 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -11.689 4.693 3.314 1.00 0.00 H new ATOM 117 N TYR A 139 -10.414 0.496 4.439 1.00 0.00 N ATOM 118 CA TYR A 139 -9.668 -0.755 4.508 1.00 0.00 C ATOM 119 C TYR A 139 -8.474 -0.626 5.449 1.00 0.00 C ATOM 120 O TYR A 139 -7.898 0.452 5.593 1.00 0.00 O ATOM 121 CB TYR A 139 -9.191 -1.167 3.114 1.00 0.00 C ATOM 122 CG TYR A 139 -10.289 -1.171 2.075 1.00 0.00 C ATOM 123 CD1 TYR A 139 -11.250 -2.175 2.056 1.00 0.00 C ATOM 124 CD2 TYR A 139 -10.367 -0.172 1.112 1.00 0.00 C ATOM 125 CE1 TYR A 139 -12.255 -2.184 1.108 1.00 0.00 C ATOM 126 CE2 TYR A 139 -11.369 -0.172 0.162 1.00 0.00 C ATOM 127 CZ TYR A 139 -12.311 -1.180 0.164 1.00 0.00 C ATOM 128 OH TYR A 139 -13.310 -1.184 -0.782 1.00 0.00 O ATOM 0 H TYR A 139 -9.840 1.320 4.263 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.334 -1.524 4.899 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.402 -0.487 2.794 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -8.751 -2.163 3.169 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.210 -2.962 2.795 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.631 0.618 1.107 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -12.993 -2.973 1.106 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -11.415 0.613 -0.579 1.00 0.00 H new ATOM 0 HH TYR A 139 -13.206 -0.407 -1.371 1.00 0.00 H new ATOM 138 N GLN A 140 -8.108 -1.734 6.085 1.00 0.00 N ATOM 139 CA GLN A 140 -6.983 -1.746 7.013 1.00 0.00 C ATOM 140 C GLN A 140 -6.374 -3.141 7.112 1.00 0.00 C ATOM 141 O GLN A 140 -7.078 -4.121 7.354 1.00 0.00 O ATOM 142 CB GLN A 140 -7.430 -1.272 8.396 1.00 0.00 C ATOM 143 CG GLN A 140 -6.313 -1.266 9.428 1.00 0.00 C ATOM 144 CD GLN A 140 -6.691 -1.996 10.701 1.00 0.00 C ATOM 145 OE1 GLN A 140 -7.794 -1.830 11.222 1.00 0.00 O ATOM 146 NE2 GLN A 140 -5.775 -2.812 11.210 1.00 0.00 N ATOM 0 H GLN A 140 -8.574 -2.635 5.975 1.00 0.00 H new ATOM 0 HA GLN A 140 -6.223 -1.064 6.632 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -7.840 -0.266 8.311 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -8.236 -1.916 8.749 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.424 -1.729 8.999 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -6.051 -0.236 9.669 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -4.873 -2.920 10.745 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -5.973 -3.331 12.066 1.00 0.00 H new ATOM 155 N CYS A 141 -5.061 -3.222 6.923 1.00 0.00 N ATOM 156 CA CYS A 141 -4.356 -4.497 6.990 1.00 0.00 C ATOM 157 C CYS A 141 -4.351 -5.041 8.416 1.00 0.00 C ATOM 158 O CYS A 141 -4.137 -4.299 9.375 1.00 0.00 O ATOM 159 CB CYS A 141 -2.920 -4.336 6.489 1.00 0.00 C ATOM 160 SG CYS A 141 -2.049 -5.912 6.210 1.00 0.00 S ATOM 0 H CYS A 141 -4.464 -2.420 6.722 1.00 0.00 H new ATOM 0 HA CYS A 141 -4.879 -5.208 6.350 1.00 0.00 H new ATOM 0 HB2 CYS A 141 -2.933 -3.770 5.557 1.00 0.00 H new ATOM 0 HB3 CYS A 141 -2.358 -3.746 7.213 1.00 0.00 H new ATOM 165 N LYS A 142 -4.588 -6.342 8.547 1.00 0.00 N ATOM 166 CA LYS A 142 -4.610 -6.988 9.854 1.00 0.00 C ATOM 167 C LYS A 142 -3.331 -7.785 10.088 1.00 0.00 C ATOM 168 O LYS A 142 -3.326 -8.762 10.837 1.00 0.00 O ATOM 169 CB LYS A 142 -5.826 -7.909 9.970 1.00 0.00 C ATOM 170 CG LYS A 142 -5.801 -9.076 8.998 1.00 0.00 C ATOM 171 CD LYS A 142 -6.677 -8.810 7.786 1.00 0.00 C ATOM 172 CE LYS A 142 -6.564 -9.928 6.760 1.00 0.00 C ATOM 173 NZ LYS A 142 -7.446 -11.080 7.095 1.00 0.00 N ATOM 0 H LYS A 142 -4.768 -6.970 7.763 1.00 0.00 H new ATOM 0 HA LYS A 142 -4.677 -6.211 10.615 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.882 -8.296 10.987 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.731 -7.325 9.800 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -4.776 -9.259 8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -6.142 -9.979 9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.715 -8.708 8.102 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.389 -7.864 7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -6.827 -9.544 5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.529 -10.267 6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.340 -11.820 6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -7.179 -11.463 8.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -8.436 -10.763 7.123 1.00 0.00 H new ATOM 187 N GLU A 143 -2.248 -7.361 9.444 1.00 0.00 N ATOM 188 CA GLU A 143 -0.963 -8.036 9.584 1.00 0.00 C ATOM 189 C GLU A 143 0.101 -7.077 10.112 1.00 0.00 C ATOM 190 O GLU A 143 0.991 -7.473 10.864 1.00 0.00 O ATOM 191 CB GLU A 143 -0.519 -8.618 8.241 1.00 0.00 C ATOM 192 CG GLU A 143 -1.614 -9.385 7.518 1.00 0.00 C ATOM 193 CD GLU A 143 -2.224 -10.477 8.375 1.00 0.00 C ATOM 194 OE1 GLU A 143 -1.580 -10.886 9.363 1.00 0.00 O ATOM 195 OE2 GLU A 143 -3.347 -10.922 8.057 1.00 0.00 O ATOM 0 H GLU A 143 -2.235 -6.554 8.821 1.00 0.00 H new ATOM 0 HA GLU A 143 -1.084 -8.848 10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -0.171 -7.807 7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 143 0.330 -9.281 8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -2.396 -8.691 7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -1.204 -9.827 6.610 1.00 0.00 H new ATOM 202 N CYS A 144 0.001 -5.814 9.711 1.00 0.00 N ATOM 203 CA CYS A 144 0.954 -4.798 10.141 1.00 0.00 C ATOM 204 C CYS A 144 0.230 -3.573 10.693 1.00 0.00 C ATOM 205 O CYS A 144 0.677 -2.959 11.661 1.00 0.00 O ATOM 206 CB CYS A 144 1.856 -4.388 8.975 1.00 0.00 C ATOM 207 SG CYS A 144 0.952 -3.829 7.496 1.00 0.00 S ATOM 0 H CYS A 144 -0.730 -5.470 9.089 1.00 0.00 H new ATOM 0 HA CYS A 144 1.568 -5.224 10.934 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.519 -3.589 9.306 1.00 0.00 H new ATOM 0 HB3 CYS A 144 2.488 -5.234 8.703 1.00 0.00 H new ATOM 212 N GLY A 145 -0.891 -3.223 10.069 1.00 0.00 N ATOM 213 CA GLY A 145 -1.658 -2.074 10.512 1.00 0.00 C ATOM 214 C GLY A 145 -1.792 -1.017 9.434 1.00 0.00 C ATOM 215 O GLY A 145 -2.108 0.138 9.721 1.00 0.00 O ATOM 0 H GLY A 145 -1.281 -3.715 9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.651 -2.401 10.822 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -1.179 -1.637 11.388 1.00 0.00 H new ATOM 219 N LYS A 146 -1.550 -1.410 8.188 1.00 0.00 N ATOM 220 CA LYS A 146 -1.644 -0.488 7.062 1.00 0.00 C ATOM 221 C LYS A 146 -3.101 -0.161 6.747 1.00 0.00 C ATOM 222 O LYS A 146 -4.016 -0.716 7.355 1.00 0.00 O ATOM 223 CB LYS A 146 -0.967 -1.088 5.828 1.00 0.00 C ATOM 224 CG LYS A 146 0.305 -0.364 5.420 1.00 0.00 C ATOM 225 CD LYS A 146 0.377 -0.166 3.916 1.00 0.00 C ATOM 226 CE LYS A 146 0.987 1.180 3.559 1.00 0.00 C ATOM 227 NZ LYS A 146 -0.026 2.119 3.001 1.00 0.00 N ATOM 0 H LYS A 146 -1.287 -2.362 7.932 1.00 0.00 H new ATOM 0 HA LYS A 146 -1.134 0.435 7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.732 -2.134 6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -1.669 -1.070 4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 146 0.349 0.605 5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.172 -0.934 5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 146 0.970 -0.965 3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.624 -0.237 3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 146 1.440 1.620 4.447 1.00 0.00 H new ATOM 0 HE3 LYS A 146 1.787 1.035 2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 0.430 3.025 2.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -0.440 1.711 2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -0.776 2.278 3.704 1.00 0.00 H new ATOM 241 N SER A 147 -3.307 0.741 5.793 1.00 0.00 N ATOM 242 CA SER A 147 -4.652 1.143 5.399 1.00 0.00 C ATOM 243 C SER A 147 -4.676 1.613 3.948 1.00 0.00 C ATOM 244 O SER A 147 -3.804 2.365 3.513 1.00 0.00 O ATOM 245 CB SER A 147 -5.164 2.255 6.316 1.00 0.00 C ATOM 246 OG SER A 147 -4.488 3.475 6.063 1.00 0.00 O ATOM 0 H SER A 147 -2.560 1.207 5.279 1.00 0.00 H new ATOM 0 HA SER A 147 -5.305 0.276 5.492 1.00 0.00 H new ATOM 0 HB2 SER A 147 -6.235 2.391 6.166 1.00 0.00 H new ATOM 0 HB3 SER A 147 -5.023 1.966 7.357 1.00 0.00 H new ATOM 0 HG SER A 147 -4.834 4.171 6.660 1.00 0.00 H new ATOM 252 N PHE A 148 -5.680 1.163 3.203 1.00 0.00 N ATOM 253 CA PHE A 148 -5.818 1.536 1.800 1.00 0.00 C ATOM 254 C PHE A 148 -7.217 2.073 1.515 1.00 0.00 C ATOM 255 O PHE A 148 -8.137 1.893 2.312 1.00 0.00 O ATOM 256 CB PHE A 148 -5.529 0.333 0.900 1.00 0.00 C ATOM 257 CG PHE A 148 -4.123 -0.183 1.021 1.00 0.00 C ATOM 258 CD1 PHE A 148 -3.763 -1.008 2.074 1.00 0.00 C ATOM 259 CD2 PHE A 148 -3.162 0.158 0.083 1.00 0.00 C ATOM 260 CE1 PHE A 148 -2.470 -1.485 2.189 1.00 0.00 C ATOM 261 CE2 PHE A 148 -1.869 -0.316 0.192 1.00 0.00 C ATOM 262 CZ PHE A 148 -1.522 -1.137 1.247 1.00 0.00 C ATOM 0 H PHE A 148 -6.410 0.539 3.547 1.00 0.00 H new ATOM 0 HA PHE A 148 -5.095 2.323 1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -6.224 -0.470 1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -5.717 0.612 -0.137 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -4.501 -1.282 2.814 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -3.427 0.802 -0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -2.202 -2.128 3.014 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -1.130 -0.045 -0.547 1.00 0.00 H new ATOM 0 HZ PHE A 148 -0.511 -1.506 1.335 1.00 0.00 H new ATOM 272 N SER A 149 -7.369 2.736 0.373 1.00 0.00 N ATOM 273 CA SER A 149 -8.654 3.305 -0.016 1.00 0.00 C ATOM 274 C SER A 149 -9.247 2.547 -1.200 1.00 0.00 C ATOM 275 O SER A 149 -10.087 3.074 -1.929 1.00 0.00 O ATOM 276 CB SER A 149 -8.495 4.784 -0.371 1.00 0.00 C ATOM 277 OG SER A 149 -8.253 4.953 -1.757 1.00 0.00 O ATOM 0 H SER A 149 -6.618 2.892 -0.299 1.00 0.00 H new ATOM 0 HA SER A 149 -9.335 3.214 0.830 1.00 0.00 H new ATOM 0 HB2 SER A 149 -9.396 5.328 -0.087 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.671 5.212 0.200 1.00 0.00 H new ATOM 0 HG SER A 149 -9.032 4.644 -2.265 1.00 0.00 H new ATOM 283 N GLN A 150 -8.802 1.309 -1.385 1.00 0.00 N ATOM 284 CA GLN A 150 -9.288 0.478 -2.481 1.00 0.00 C ATOM 285 C GLN A 150 -9.208 -1.001 -2.120 1.00 0.00 C ATOM 286 O GLN A 150 -8.154 -1.497 -1.723 1.00 0.00 O ATOM 287 CB GLN A 150 -8.481 0.750 -3.751 1.00 0.00 C ATOM 288 CG GLN A 150 -8.625 2.171 -4.272 1.00 0.00 C ATOM 289 CD GLN A 150 -10.049 2.505 -4.670 1.00 0.00 C ATOM 290 OE1 GLN A 150 -10.901 1.621 -4.773 1.00 0.00 O ATOM 291 NE2 GLN A 150 -10.316 3.786 -4.896 1.00 0.00 N ATOM 0 H GLN A 150 -8.106 0.859 -0.791 1.00 0.00 H new ATOM 0 HA GLN A 150 -10.332 0.733 -2.661 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.428 0.550 -3.552 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -8.796 0.054 -4.528 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.293 2.871 -3.505 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.970 2.307 -5.133 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -9.580 4.485 -4.799 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -11.257 4.071 -5.167 1.00 0.00 H new ATOM 300 N ARG A 151 -10.329 -1.701 -2.261 1.00 0.00 N ATOM 301 CA ARG A 151 -10.386 -3.124 -1.948 1.00 0.00 C ATOM 302 C ARG A 151 -9.284 -3.886 -2.679 1.00 0.00 C ATOM 303 O ARG A 151 -8.684 -4.809 -2.130 1.00 0.00 O ATOM 304 CB ARG A 151 -11.753 -3.697 -2.325 1.00 0.00 C ATOM 305 CG ARG A 151 -11.903 -5.175 -2.007 1.00 0.00 C ATOM 306 CD ARG A 151 -13.133 -5.440 -1.153 1.00 0.00 C ATOM 307 NE ARG A 151 -13.305 -6.862 -0.867 1.00 0.00 N ATOM 308 CZ ARG A 151 -14.059 -7.326 0.123 1.00 0.00 C ATOM 309 NH1 ARG A 151 -14.709 -6.485 0.916 1.00 0.00 N ATOM 310 NH2 ARG A 151 -14.166 -8.634 0.320 1.00 0.00 N ATOM 0 H ARG A 151 -11.210 -1.306 -2.590 1.00 0.00 H new ATOM 0 HA ARG A 151 -10.235 -3.240 -0.875 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -12.528 -3.140 -1.799 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -11.920 -3.545 -3.391 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -11.974 -5.742 -2.935 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -11.014 -5.528 -1.485 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -13.049 -4.889 -0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -14.018 -5.064 -1.666 1.00 0.00 H new ATOM 0 HE ARG A 151 -12.820 -7.535 -1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -14.631 -5.479 0.766 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -15.287 -6.844 1.676 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -13.669 -9.284 -0.289 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -14.745 -8.989 1.081 1.00 0.00 H new ATOM 324 N GLY A 152 -9.024 -3.492 -3.922 1.00 0.00 N ATOM 325 CA GLY A 152 -7.996 -4.148 -4.709 1.00 0.00 C ATOM 326 C GLY A 152 -6.597 -3.810 -4.232 1.00 0.00 C ATOM 327 O GLY A 152 -5.715 -4.669 -4.215 1.00 0.00 O ATOM 0 H GLY A 152 -9.507 -2.730 -4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -8.141 -5.227 -4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -8.101 -3.856 -5.754 1.00 0.00 H new ATOM 331 N SER A 153 -6.393 -2.555 -3.845 1.00 0.00 N ATOM 332 CA SER A 153 -5.089 -2.104 -3.371 1.00 0.00 C ATOM 333 C SER A 153 -4.674 -2.866 -2.117 1.00 0.00 C ATOM 334 O SER A 153 -3.559 -3.383 -2.031 1.00 0.00 O ATOM 335 CB SER A 153 -5.120 -0.602 -3.082 1.00 0.00 C ATOM 336 OG SER A 153 -5.221 0.146 -4.282 1.00 0.00 O ATOM 0 H SER A 153 -7.113 -1.833 -3.850 1.00 0.00 H new ATOM 0 HA SER A 153 -4.357 -2.301 -4.154 1.00 0.00 H new ATOM 0 HB2 SER A 153 -5.965 -0.371 -2.433 1.00 0.00 H new ATOM 0 HB3 SER A 153 -4.217 -0.313 -2.545 1.00 0.00 H new ATOM 0 HG SER A 153 -5.241 1.103 -4.070 1.00 0.00 H new ATOM 342 N LEU A 154 -5.578 -2.932 -1.146 1.00 0.00 N ATOM 343 CA LEU A 154 -5.307 -3.631 0.106 1.00 0.00 C ATOM 344 C LEU A 154 -4.888 -5.074 -0.156 1.00 0.00 C ATOM 345 O LEU A 154 -3.884 -5.546 0.377 1.00 0.00 O ATOM 346 CB LEU A 154 -6.543 -3.603 1.006 1.00 0.00 C ATOM 347 CG LEU A 154 -6.570 -4.627 2.141 1.00 0.00 C ATOM 348 CD1 LEU A 154 -5.433 -4.372 3.118 1.00 0.00 C ATOM 349 CD2 LEU A 154 -7.911 -4.592 2.859 1.00 0.00 C ATOM 0 H LEU A 154 -6.505 -2.510 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 154 -4.487 -3.119 0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -6.629 -2.607 1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.425 -3.757 0.384 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.436 -5.620 1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.469 -5.111 3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.480 -4.449 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.534 -3.373 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.912 -5.327 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -8.075 -3.598 3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.708 -4.826 2.153 1.00 0.00 H new ATOM 361 N ALA A 155 -5.662 -5.769 -0.983 1.00 0.00 N ATOM 362 CA ALA A 155 -5.369 -7.157 -1.319 1.00 0.00 C ATOM 363 C ALA A 155 -3.923 -7.317 -1.777 1.00 0.00 C ATOM 364 O ALA A 155 -3.205 -8.197 -1.302 1.00 0.00 O ATOM 365 CB ALA A 155 -6.324 -7.652 -2.395 1.00 0.00 C ATOM 0 H ALA A 155 -6.497 -5.393 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 155 -5.507 -7.760 -0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -6.094 -8.690 -2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -7.349 -7.583 -2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -6.214 -7.039 -3.289 1.00 0.00 H new ATOM 371 N VAL A 156 -3.503 -6.461 -2.703 1.00 0.00 N ATOM 372 CA VAL A 156 -2.142 -6.508 -3.225 1.00 0.00 C ATOM 373 C VAL A 156 -1.118 -6.413 -2.100 1.00 0.00 C ATOM 374 O VAL A 156 -0.009 -6.936 -2.209 1.00 0.00 O ATOM 375 CB VAL A 156 -1.888 -5.370 -4.233 1.00 0.00 C ATOM 376 CG1 VAL A 156 -0.497 -5.491 -4.834 1.00 0.00 C ATOM 377 CG2 VAL A 156 -2.951 -5.376 -5.321 1.00 0.00 C ATOM 0 H VAL A 156 -4.085 -5.727 -3.107 1.00 0.00 H new ATOM 0 HA VAL A 156 -2.031 -7.466 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.948 -4.419 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -0.335 -4.679 -5.543 1.00 0.00 H new ATOM 0 HG12 VAL A 156 0.248 -5.434 -4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -0.405 -6.447 -5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -2.757 -4.566 -6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -2.926 -6.329 -5.849 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.934 -5.237 -4.870 1.00 0.00 H new ATOM 387 N HIS A 157 -1.498 -5.742 -1.017 1.00 0.00 N ATOM 388 CA HIS A 157 -0.612 -5.580 0.131 1.00 0.00 C ATOM 389 C HIS A 157 -0.806 -6.715 1.132 1.00 0.00 C ATOM 390 O HIS A 157 0.036 -6.938 2.001 1.00 0.00 O ATOM 391 CB HIS A 157 -0.868 -4.235 0.813 1.00 0.00 C ATOM 392 CG HIS A 157 -0.163 -4.085 2.126 1.00 0.00 C ATOM 393 ND1 HIS A 157 1.077 -3.495 2.251 1.00 0.00 N ATOM 394 CD2 HIS A 157 -0.532 -4.452 3.375 1.00 0.00 C ATOM 395 CE1 HIS A 157 1.441 -3.507 3.521 1.00 0.00 C ATOM 396 NE2 HIS A 157 0.482 -4.081 4.224 1.00 0.00 N ATOM 0 H HIS A 157 -2.412 -5.302 -0.910 1.00 0.00 H new ATOM 0 HA HIS A 157 0.417 -5.608 -0.229 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -0.551 -3.433 0.146 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -1.940 -4.115 0.970 1.00 0.00 H new ATOM 0 HD1 HIS A 157 1.627 -3.110 1.483 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -1.452 -4.945 3.653 1.00 0.00 H new ATOM 0 HE1 HIS A 157 2.366 -3.114 3.917 1.00 0.00 H new ATOM 404 N GLU A 158 -1.920 -7.429 1.002 1.00 0.00 N ATOM 405 CA GLU A 158 -2.223 -8.540 1.896 1.00 0.00 C ATOM 406 C GLU A 158 -1.703 -9.856 1.325 1.00 0.00 C ATOM 407 O GLU A 158 -1.641 -10.867 2.024 1.00 0.00 O ATOM 408 CB GLU A 158 -3.732 -8.636 2.133 1.00 0.00 C ATOM 409 CG GLU A 158 -4.334 -7.379 2.738 1.00 0.00 C ATOM 410 CD GLU A 158 -5.263 -7.677 3.899 1.00 0.00 C ATOM 411 OE1 GLU A 158 -4.758 -7.896 5.021 1.00 0.00 O ATOM 412 OE2 GLU A 158 -6.493 -7.692 3.686 1.00 0.00 O ATOM 0 H GLU A 158 -2.627 -7.258 0.287 1.00 0.00 H new ATOM 0 HA GLU A 158 -1.724 -8.354 2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.228 -8.846 1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -3.935 -9.480 2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -3.532 -6.724 3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -4.883 -6.837 1.968 1.00 0.00 H new ATOM 419 N ARG A 159 -1.330 -9.834 0.049 1.00 0.00 N ATOM 420 CA ARG A 159 -0.816 -11.025 -0.617 1.00 0.00 C ATOM 421 C ARG A 159 0.709 -11.004 -0.669 1.00 0.00 C ATOM 422 O ARG A 159 1.360 -12.037 -0.509 1.00 0.00 O ATOM 423 CB ARG A 159 -1.384 -11.127 -2.034 1.00 0.00 C ATOM 424 CG ARG A 159 -1.026 -9.945 -2.920 1.00 0.00 C ATOM 425 CD ARG A 159 0.143 -10.270 -3.837 1.00 0.00 C ATOM 426 NE ARG A 159 -0.143 -11.407 -4.707 1.00 0.00 N ATOM 427 CZ ARG A 159 0.635 -11.772 -5.720 1.00 0.00 C ATOM 428 NH1 ARG A 159 1.741 -11.093 -5.988 1.00 0.00 N ATOM 429 NH2 ARG A 159 0.307 -12.819 -6.467 1.00 0.00 N ATOM 0 H ARG A 159 -1.374 -9.005 -0.544 1.00 0.00 H new ATOM 0 HA ARG A 159 -1.130 -11.896 -0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -1.017 -12.042 -2.498 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -2.469 -11.211 -1.976 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -1.892 -9.662 -3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -0.774 -9.086 -2.298 1.00 0.00 H new ATOM 0 HD2 ARG A 159 0.379 -9.398 -4.447 1.00 0.00 H new ATOM 0 HD3 ARG A 159 1.026 -10.487 -3.236 1.00 0.00 H new ATOM 0 HE ARG A 159 -0.987 -11.951 -4.527 1.00 0.00 H new ATOM 0 HH11 ARG A 159 1.997 -10.288 -5.416 1.00 0.00 H new ATOM 0 HH12 ARG A 159 2.337 -11.375 -6.766 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -0.543 -13.344 -6.264 1.00 0.00 H new ATOM 0 HH22 ARG A 159 0.905 -13.098 -7.245 1.00 0.00 H new ATOM 443 N LEU A 160 1.272 -9.822 -0.892 1.00 0.00 N ATOM 444 CA LEU A 160 2.720 -9.666 -0.965 1.00 0.00 C ATOM 445 C LEU A 160 3.358 -9.856 0.407 1.00 0.00 C ATOM 446 O LEU A 160 4.575 -10.010 0.522 1.00 0.00 O ATOM 447 CB LEU A 160 3.077 -8.285 -1.520 1.00 0.00 C ATOM 448 CG LEU A 160 3.566 -7.258 -0.499 1.00 0.00 C ATOM 449 CD1 LEU A 160 4.019 -5.985 -1.197 1.00 0.00 C ATOM 450 CD2 LEU A 160 2.474 -6.952 0.516 1.00 0.00 C ATOM 0 H LEU A 160 0.748 -8.957 -1.025 1.00 0.00 H new ATOM 0 HA LEU A 160 3.110 -10.432 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 160 3.849 -8.409 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 160 2.199 -7.879 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 160 4.419 -7.680 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 160 4.364 -5.266 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.834 -6.216 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.185 -5.559 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.840 -6.219 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.601 -6.551 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.197 -7.867 1.040 1.00 0.00 H new ATOM 462 N HIS A 161 2.529 -9.845 1.446 1.00 0.00 N ATOM 463 CA HIS A 161 3.012 -10.019 2.811 1.00 0.00 C ATOM 464 C HIS A 161 3.854 -11.286 2.933 1.00 0.00 C ATOM 465 O HIS A 161 4.934 -11.273 3.525 1.00 0.00 O ATOM 466 CB HIS A 161 1.837 -10.079 3.787 1.00 0.00 C ATOM 467 CG HIS A 161 1.682 -8.841 4.616 1.00 0.00 C ATOM 468 ND1 HIS A 161 2.622 -8.431 5.538 1.00 0.00 N ATOM 469 CD2 HIS A 161 0.691 -7.921 4.657 1.00 0.00 C ATOM 470 CE1 HIS A 161 2.214 -7.313 6.111 1.00 0.00 C ATOM 471 NE2 HIS A 161 1.045 -6.982 5.594 1.00 0.00 N ATOM 0 H HIS A 161 1.520 -9.717 1.369 1.00 0.00 H new ATOM 0 HA HIS A 161 3.638 -9.162 3.060 1.00 0.00 H new ATOM 0 HB2 HIS A 161 0.918 -10.248 3.226 1.00 0.00 H new ATOM 0 HB3 HIS A 161 1.969 -10.935 4.449 1.00 0.00 H new ATOM 0 HD1 HIS A 161 3.496 -8.915 5.745 1.00 0.00 H new ATOM 0 HD2 HIS A 161 -0.211 -7.925 4.063 1.00 0.00 H new ATOM 0 HE1 HIS A 161 2.746 -6.763 6.873 1.00 0.00 H new ATOM 479 N THR A 162 3.353 -12.380 2.368 1.00 0.00 N ATOM 480 CA THR A 162 4.058 -13.655 2.414 1.00 0.00 C ATOM 481 C THR A 162 5.359 -13.593 1.623 1.00 0.00 C ATOM 482 O THR A 162 5.476 -12.838 0.659 1.00 0.00 O ATOM 483 CB THR A 162 3.187 -14.798 1.860 1.00 0.00 C ATOM 484 OG1 THR A 162 3.930 -16.022 1.856 1.00 0.00 O ATOM 485 CG2 THR A 162 2.714 -14.483 0.449 1.00 0.00 C ATOM 0 H THR A 162 2.462 -12.409 1.873 1.00 0.00 H new ATOM 0 HA THR A 162 4.283 -13.854 3.462 1.00 0.00 H new ATOM 0 HB THR A 162 2.314 -14.905 2.504 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.369 -16.744 1.504 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.101 -15.305 0.079 1.00 0.00 H new ATOM 0 HG22 THR A 162 2.125 -13.566 0.459 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.577 -14.352 -0.203 1.00 0.00 H new ATOM 493 N GLY A 163 6.337 -14.394 2.037 1.00 0.00 N ATOM 494 CA GLY A 163 7.618 -14.415 1.354 1.00 0.00 C ATOM 495 C GLY A 163 8.518 -13.270 1.776 1.00 0.00 C ATOM 496 O GLY A 163 8.506 -12.856 2.935 1.00 0.00 O ATOM 0 H GLY A 163 6.265 -15.028 2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 163 8.119 -15.361 1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 163 7.453 -14.366 0.278 1.00 0.00 H new ATOM 500 N SER A 164 9.302 -12.758 0.833 1.00 0.00 N ATOM 501 CA SER A 164 10.217 -11.658 1.114 1.00 0.00 C ATOM 502 C SER A 164 11.187 -12.030 2.231 1.00 0.00 C ATOM 503 O SER A 164 11.024 -11.607 3.375 1.00 0.00 O ATOM 504 CB SER A 164 9.435 -10.401 1.499 1.00 0.00 C ATOM 505 OG SER A 164 10.250 -9.246 1.411 1.00 0.00 O ATOM 0 H SER A 164 9.322 -13.087 -0.132 1.00 0.00 H new ATOM 0 HA SER A 164 10.792 -11.456 0.210 1.00 0.00 H new ATOM 0 HB2 SER A 164 8.571 -10.291 0.843 1.00 0.00 H new ATOM 0 HB3 SER A 164 9.053 -10.504 2.515 1.00 0.00 H new ATOM 0 HG SER A 164 9.726 -8.456 1.661 1.00 0.00 H new ATOM 511 N GLY A 165 12.197 -12.825 1.891 1.00 0.00 N ATOM 512 CA GLY A 165 13.178 -13.241 2.876 1.00 0.00 C ATOM 513 C GLY A 165 14.558 -12.681 2.592 1.00 0.00 C ATOM 514 O GLY A 165 15.468 -13.398 2.176 1.00 0.00 O ATOM 0 H GLY A 165 12.353 -13.188 0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 165 12.855 -12.918 3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 165 13.228 -14.330 2.897 1.00 0.00 H new ATOM 518 N PRO A 166 14.726 -11.370 2.818 1.00 0.00 N ATOM 519 CA PRO A 166 16.002 -10.685 2.589 1.00 0.00 C ATOM 520 C PRO A 166 17.069 -11.096 3.598 1.00 0.00 C ATOM 521 O PRO A 166 18.229 -11.302 3.240 1.00 0.00 O ATOM 522 CB PRO A 166 15.646 -9.206 2.760 1.00 0.00 C ATOM 523 CG PRO A 166 14.450 -9.204 3.648 1.00 0.00 C ATOM 524 CD PRO A 166 13.685 -10.455 3.314 1.00 0.00 C ATOM 0 HA PRO A 166 16.425 -10.926 1.614 1.00 0.00 H new ATOM 0 HB2 PRO A 166 16.471 -8.649 3.205 1.00 0.00 H new ATOM 0 HB3 PRO A 166 15.427 -8.738 1.800 1.00 0.00 H new ATOM 0 HG2 PRO A 166 14.743 -9.194 4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 166 13.840 -8.317 3.479 1.00 0.00 H new ATOM 0 HD2 PRO A 166 13.177 -10.861 4.189 1.00 0.00 H new ATOM 0 HD3 PRO A 166 12.921 -10.269 2.559 1.00 0.00 H new ATOM 532 N SER A 167 16.670 -11.214 4.860 1.00 0.00 N ATOM 533 CA SER A 167 17.594 -11.597 5.922 1.00 0.00 C ATOM 534 C SER A 167 16.839 -11.921 7.208 1.00 0.00 C ATOM 535 O SER A 167 17.115 -12.923 7.867 1.00 0.00 O ATOM 536 CB SER A 167 18.603 -10.477 6.178 1.00 0.00 C ATOM 537 OG SER A 167 19.929 -10.924 5.954 1.00 0.00 O ATOM 0 H SER A 167 15.713 -11.050 5.173 1.00 0.00 H new ATOM 0 HA SER A 167 18.129 -12.491 5.600 1.00 0.00 H new ATOM 0 HB2 SER A 167 18.386 -9.631 5.525 1.00 0.00 H new ATOM 0 HB3 SER A 167 18.504 -10.122 7.204 1.00 0.00 H new ATOM 0 HG SER A 167 20.555 -10.189 6.123 1.00 0.00 H new ATOM 543 N SER A 168 15.885 -11.064 7.558 1.00 0.00 N ATOM 544 CA SER A 168 15.092 -11.255 8.767 1.00 0.00 C ATOM 545 C SER A 168 13.614 -10.995 8.494 1.00 0.00 C ATOM 546 O SER A 168 12.866 -10.601 9.388 1.00 0.00 O ATOM 547 CB SER A 168 15.588 -10.328 9.879 1.00 0.00 C ATOM 548 OG SER A 168 16.987 -10.122 9.786 1.00 0.00 O ATOM 0 H SER A 168 15.643 -10.231 7.022 1.00 0.00 H new ATOM 0 HA SER A 168 15.207 -12.290 9.088 1.00 0.00 H new ATOM 0 HB2 SER A 168 15.071 -9.370 9.816 1.00 0.00 H new ATOM 0 HB3 SER A 168 15.344 -10.758 10.851 1.00 0.00 H new ATOM 0 HG SER A 168 17.278 -9.525 10.507 1.00 0.00 H new ATOM 554 N GLY A 169 13.200 -11.220 7.251 1.00 0.00 N ATOM 555 CA GLY A 169 11.813 -11.005 6.880 1.00 0.00 C ATOM 556 C GLY A 169 10.858 -11.856 7.693 1.00 0.00 C ATOM 557 O GLY A 169 9.794 -12.212 7.188 1.00 0.00 O ATOM 0 H GLY A 169 13.800 -11.547 6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 169 11.563 -9.953 7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 169 11.684 -11.230 5.821 1.00 0.00 H new TER 561 GLY A 169 HETATM 562 ZN ZN A 201 0.230 -5.218 5.972 1.00 0.00 ZN