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 X(o=-0.18,f=-0.38) USER MOD Set 1.2: A 153 SER OG : rot 180:sc= -0.177 USER MOD Set 2.1: A 137 LYS NZ :NH3+ -150:sc= 0.377 (180deg=0.173) USER MOD Set 2.2: A 147 SER OG : rot 180:sc= -0.236 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot -60:sc= 0.423 USER MOD Single : A 134 SER OG : rot 180:sc= 0.0444 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.681 USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=-0.059) 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= 0.389 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 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 129 2.513 9.760 -6.928 1.00 0.00 N ATOM 2 CA GLY A 129 2.815 10.403 -5.663 1.00 0.00 C ATOM 3 C GLY A 129 1.691 11.301 -5.185 1.00 0.00 C ATOM 4 O GLY A 129 1.908 12.477 -4.896 1.00 0.00 O ATOM 0 HA2 GLY A 129 3.012 9.640 -4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.727 10.991 -5.767 1.00 0.00 H new ATOM 8 N SER A 130 0.486 10.746 -5.104 1.00 0.00 N ATOM 9 CA SER A 130 -0.677 11.506 -4.664 1.00 0.00 C ATOM 10 C SER A 130 -1.483 10.719 -3.635 1.00 0.00 C ATOM 11 O SER A 130 -1.662 9.508 -3.764 1.00 0.00 O ATOM 12 CB SER A 130 -1.564 11.860 -5.860 1.00 0.00 C ATOM 13 OG SER A 130 -2.130 10.696 -6.437 1.00 0.00 O ATOM 0 H SER A 130 0.290 9.773 -5.337 1.00 0.00 H new ATOM 0 HA SER A 130 -0.324 12.426 -4.197 1.00 0.00 H new ATOM 0 HB2 SER A 130 -2.358 12.535 -5.541 1.00 0.00 H new ATOM 0 HB3 SER A 130 -0.976 12.392 -6.608 1.00 0.00 H new ATOM 0 HG SER A 130 -2.694 10.949 -7.198 1.00 0.00 H new ATOM 19 N SER A 131 -1.967 11.416 -2.612 1.00 0.00 N ATOM 20 CA SER A 131 -2.751 10.783 -1.558 1.00 0.00 C ATOM 21 C SER A 131 -3.283 11.824 -0.577 1.00 0.00 C ATOM 22 O SER A 131 -2.557 12.723 -0.154 1.00 0.00 O ATOM 23 CB SER A 131 -1.902 9.751 -0.813 1.00 0.00 C ATOM 24 OG SER A 131 -2.434 9.487 0.474 1.00 0.00 O ATOM 0 H SER A 131 -1.830 12.419 -2.491 1.00 0.00 H new ATOM 0 HA SER A 131 -3.599 10.279 -2.022 1.00 0.00 H new ATOM 0 HB2 SER A 131 -1.859 8.827 -1.389 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.879 10.116 -0.719 1.00 0.00 H new ATOM 0 HG SER A 131 -1.875 8.823 0.929 1.00 0.00 H new ATOM 30 N GLY A 132 -4.557 11.695 -0.221 1.00 0.00 N ATOM 31 CA GLY A 132 -5.166 12.631 0.707 1.00 0.00 C ATOM 32 C GLY A 132 -5.956 11.934 1.797 1.00 0.00 C ATOM 33 O GLY A 132 -7.182 11.850 1.727 1.00 0.00 O ATOM 0 H GLY A 132 -5.178 10.960 -0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -4.389 13.245 1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -5.825 13.305 0.159 1.00 0.00 H new ATOM 37 N SER A 133 -5.253 11.433 2.807 1.00 0.00 N ATOM 38 CA SER A 133 -5.895 10.736 3.915 1.00 0.00 C ATOM 39 C SER A 133 -6.338 11.720 4.993 1.00 0.00 C ATOM 40 O SER A 133 -5.526 12.194 5.787 1.00 0.00 O ATOM 41 CB SER A 133 -4.943 9.699 4.514 1.00 0.00 C ATOM 42 OG SER A 133 -5.102 9.613 5.920 1.00 0.00 O ATOM 0 H SER A 133 -4.238 11.497 2.881 1.00 0.00 H new ATOM 0 HA SER A 133 -6.778 10.227 3.528 1.00 0.00 H new ATOM 0 HB2 SER A 133 -5.131 8.725 4.063 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.913 9.966 4.277 1.00 0.00 H new ATOM 0 HG SER A 133 -4.916 10.486 6.324 1.00 0.00 H new ATOM 48 N SER A 134 -7.632 12.023 5.014 1.00 0.00 N ATOM 49 CA SER A 134 -8.184 12.953 5.991 1.00 0.00 C ATOM 50 C SER A 134 -8.217 12.325 7.381 1.00 0.00 C ATOM 51 O SER A 134 -7.647 12.860 8.331 1.00 0.00 O ATOM 52 CB SER A 134 -9.594 13.383 5.579 1.00 0.00 C ATOM 53 OG SER A 134 -10.326 12.290 5.053 1.00 0.00 O ATOM 0 H SER A 134 -8.318 11.637 4.365 1.00 0.00 H new ATOM 0 HA SER A 134 -7.539 13.831 6.023 1.00 0.00 H new ATOM 0 HB2 SER A 134 -10.119 13.795 6.441 1.00 0.00 H new ATOM 0 HB3 SER A 134 -9.533 14.176 4.834 1.00 0.00 H new ATOM 0 HG SER A 134 -11.224 12.590 4.799 1.00 0.00 H new ATOM 59 N GLY A 135 -8.891 11.184 7.492 1.00 0.00 N ATOM 60 CA GLY A 135 -8.988 10.501 8.769 1.00 0.00 C ATOM 61 C GLY A 135 -8.701 9.017 8.655 1.00 0.00 C ATOM 62 O GLY A 135 -7.550 8.611 8.500 1.00 0.00 O ATOM 0 H GLY A 135 -9.371 10.721 6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -8.287 10.951 9.472 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -9.988 10.644 9.179 1.00 0.00 H new ATOM 66 N GLU A 136 -9.751 8.205 8.734 1.00 0.00 N ATOM 67 CA GLU A 136 -9.604 6.757 8.641 1.00 0.00 C ATOM 68 C GLU A 136 -9.907 6.269 7.227 1.00 0.00 C ATOM 69 O GLU A 136 -10.493 6.991 6.420 1.00 0.00 O ATOM 70 CB GLU A 136 -10.531 6.063 9.641 1.00 0.00 C ATOM 71 CG GLU A 136 -9.793 5.294 10.723 1.00 0.00 C ATOM 72 CD GLU A 136 -9.762 3.801 10.461 1.00 0.00 C ATOM 73 OE1 GLU A 136 -8.942 3.361 9.629 1.00 0.00 O ATOM 74 OE2 GLU A 136 -10.560 3.073 11.088 1.00 0.00 O ATOM 0 H GLU A 136 -10.711 8.525 8.862 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.570 6.506 8.880 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.170 6.811 10.110 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -11.185 5.378 9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -8.772 5.667 10.796 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -10.270 5.480 11.685 1.00 0.00 H new ATOM 81 N LYS A 137 -9.502 5.038 6.933 1.00 0.00 N ATOM 82 CA LYS A 137 -9.730 4.451 5.618 1.00 0.00 C ATOM 83 C LYS A 137 -10.718 3.293 5.702 1.00 0.00 C ATOM 84 O LYS A 137 -10.893 2.669 6.750 1.00 0.00 O ATOM 85 CB LYS A 137 -8.408 3.964 5.019 1.00 0.00 C ATOM 86 CG LYS A 137 -7.492 5.090 4.572 1.00 0.00 C ATOM 87 CD LYS A 137 -6.458 4.604 3.570 1.00 0.00 C ATOM 88 CE LYS A 137 -5.476 5.706 3.203 1.00 0.00 C ATOM 89 NZ LYS A 137 -4.074 5.333 3.540 1.00 0.00 N ATOM 0 H LYS A 137 -9.014 4.427 7.588 1.00 0.00 H new ATOM 0 HA LYS A 137 -10.154 5.221 4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -7.887 3.354 5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -8.621 3.319 4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -8.086 5.888 4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -6.987 5.516 5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.915 3.756 3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.961 4.249 2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -5.549 5.918 2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.745 6.622 3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -3.531 6.191 3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -4.072 4.695 4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -3.638 4.852 2.728 1.00 0.00 H new ATOM 103 N PRO A 138 -11.380 2.995 4.575 1.00 0.00 N ATOM 104 CA PRO A 138 -12.361 1.908 4.496 1.00 0.00 C ATOM 105 C PRO A 138 -11.711 0.532 4.594 1.00 0.00 C ATOM 106 O PRO A 138 -12.390 -0.471 4.814 1.00 0.00 O ATOM 107 CB PRO A 138 -12.996 2.103 3.116 1.00 0.00 C ATOM 108 CG PRO A 138 -11.958 2.814 2.319 1.00 0.00 C ATOM 109 CD PRO A 138 -11.222 3.696 3.289 1.00 0.00 C ATOM 0 HA PRO A 138 -13.076 1.943 5.318 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -13.258 1.147 2.662 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -13.914 2.687 3.181 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -11.279 2.106 1.843 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -12.413 3.404 1.523 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -10.172 3.804 3.017 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -11.648 4.699 3.323 1.00 0.00 H new ATOM 117 N TYR A 139 -10.394 0.493 4.429 1.00 0.00 N ATOM 118 CA TYR A 139 -9.653 -0.761 4.497 1.00 0.00 C ATOM 119 C TYR A 139 -8.452 -0.635 5.430 1.00 0.00 C ATOM 120 O TYR A 139 -7.847 0.432 5.539 1.00 0.00 O ATOM 121 CB TYR A 139 -9.186 -1.178 3.102 1.00 0.00 C ATOM 122 CG TYR A 139 -10.289 -1.173 2.067 1.00 0.00 C ATOM 123 CD1 TYR A 139 -11.257 -2.169 2.051 1.00 0.00 C ATOM 124 CD2 TYR A 139 -10.363 -0.172 1.107 1.00 0.00 C ATOM 125 CE1 TYR A 139 -12.267 -2.168 1.107 1.00 0.00 C ATOM 126 CE2 TYR A 139 -11.369 -0.162 0.161 1.00 0.00 C ATOM 127 CZ TYR A 139 -12.319 -1.163 0.165 1.00 0.00 C ATOM 128 OH TYR A 139 -13.322 -1.157 -0.777 1.00 0.00 O ATOM 0 H TYR A 139 -9.818 1.315 4.247 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.320 -1.526 4.894 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.392 -0.505 2.778 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -8.755 -2.178 3.156 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.220 -2.957 2.788 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.621 0.612 1.100 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -13.011 -2.951 1.108 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -11.412 0.625 -0.578 1.00 0.00 H new ATOM 0 HH TYR A 139 -13.214 -0.380 -1.365 1.00 0.00 H new ATOM 138 N GLN A 140 -8.114 -1.731 6.101 1.00 0.00 N ATOM 139 CA GLN A 140 -6.987 -1.743 7.025 1.00 0.00 C ATOM 140 C GLN A 140 -6.377 -3.138 7.122 1.00 0.00 C ATOM 141 O GLN A 140 -7.081 -4.119 7.363 1.00 0.00 O ATOM 142 CB GLN A 140 -7.430 -1.270 8.411 1.00 0.00 C ATOM 143 CG GLN A 140 -6.277 -1.058 9.379 1.00 0.00 C ATOM 144 CD GLN A 140 -6.728 -1.034 10.826 1.00 0.00 C ATOM 145 OE1 GLN A 140 -7.769 -0.464 11.155 1.00 0.00 O ATOM 146 NE2 GLN A 140 -5.945 -1.655 11.701 1.00 0.00 N ATOM 0 H GLN A 140 -8.604 -2.622 6.022 1.00 0.00 H new ATOM 0 HA GLN A 140 -6.229 -1.060 6.641 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -7.983 -0.336 8.308 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -8.118 -2.003 8.833 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.543 -1.853 9.244 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -5.777 -0.119 9.142 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -5.091 -2.115 11.385 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.198 -1.672 12.689 1.00 0.00 H new ATOM 155 N CYS A 141 -5.065 -3.220 6.932 1.00 0.00 N ATOM 156 CA CYS A 141 -4.360 -4.494 6.997 1.00 0.00 C ATOM 157 C CYS A 141 -4.355 -5.041 8.421 1.00 0.00 C ATOM 158 O CYS A 141 -4.147 -4.300 9.382 1.00 0.00 O ATOM 159 CB CYS A 141 -2.923 -4.332 6.496 1.00 0.00 C ATOM 160 SG CYS A 141 -2.053 -5.907 6.212 1.00 0.00 S ATOM 0 H CYS A 141 -4.468 -2.418 6.731 1.00 0.00 H new ATOM 0 HA CYS A 141 -4.883 -5.203 6.356 1.00 0.00 H new ATOM 0 HB2 CYS A 141 -2.936 -3.763 5.566 1.00 0.00 H new ATOM 0 HB3 CYS A 141 -2.361 -3.744 7.221 1.00 0.00 H new ATOM 165 N LYS A 142 -4.584 -6.343 8.550 1.00 0.00 N ATOM 166 CA LYS A 142 -4.605 -6.992 9.856 1.00 0.00 C ATOM 167 C LYS A 142 -3.324 -7.788 10.088 1.00 0.00 C ATOM 168 O LYS A 142 -3.319 -8.766 10.834 1.00 0.00 O ATOM 169 CB LYS A 142 -5.820 -7.915 9.971 1.00 0.00 C ATOM 170 CG LYS A 142 -5.793 -9.080 8.996 1.00 0.00 C ATOM 171 CD LYS A 142 -6.666 -8.811 7.782 1.00 0.00 C ATOM 172 CE LYS A 142 -6.528 -9.912 6.741 1.00 0.00 C ATOM 173 NZ LYS A 142 -7.755 -10.751 6.654 1.00 0.00 N ATOM 0 H LYS A 142 -4.758 -6.971 7.765 1.00 0.00 H new ATOM 0 HA LYS A 142 -4.673 -6.216 10.619 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.875 -8.304 10.988 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.726 -7.332 9.803 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -4.768 -9.263 8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -6.136 -9.984 9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.708 -8.731 8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.391 -7.854 7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -6.323 -9.467 5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.674 -10.542 6.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.620 -11.489 5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -7.937 -11.196 7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -8.565 -10.155 6.391 1.00 0.00 H new ATOM 187 N GLU A 143 -2.242 -7.361 9.445 1.00 0.00 N ATOM 188 CA GLU A 143 -0.957 -8.035 9.583 1.00 0.00 C ATOM 189 C GLU A 143 0.106 -7.076 10.111 1.00 0.00 C ATOM 190 O GLU A 143 0.997 -7.472 10.864 1.00 0.00 O ATOM 191 CB GLU A 143 -0.513 -8.615 8.239 1.00 0.00 C ATOM 192 CG GLU A 143 -1.604 -9.391 7.520 1.00 0.00 C ATOM 193 CD GLU A 143 -2.208 -10.483 8.382 1.00 0.00 C ATOM 194 OE1 GLU A 143 -1.555 -10.892 9.365 1.00 0.00 O ATOM 195 OE2 GLU A 143 -3.333 -10.928 8.073 1.00 0.00 O ATOM 0 H GLU A 143 -2.230 -6.552 8.824 1.00 0.00 H new ATOM 0 HA GLU A 143 -1.077 -8.848 10.299 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -0.173 -7.802 7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 143 0.342 -9.272 8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -2.390 -8.702 7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -1.192 -9.835 6.614 1.00 0.00 H new ATOM 202 N CYS A 144 0.006 -5.813 9.711 1.00 0.00 N ATOM 203 CA CYS A 144 0.958 -4.796 10.142 1.00 0.00 C ATOM 204 C CYS A 144 0.234 -3.571 10.693 1.00 0.00 C ATOM 205 O CYS A 144 0.679 -2.957 11.661 1.00 0.00 O ATOM 206 CB CYS A 144 1.861 -4.387 8.977 1.00 0.00 C ATOM 207 SG CYS A 144 0.958 -3.829 7.496 1.00 0.00 S ATOM 0 H CYS A 144 -0.725 -5.469 9.089 1.00 0.00 H new ATOM 0 HA CYS A 144 1.571 -5.221 10.937 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.523 -3.587 9.308 1.00 0.00 H new ATOM 0 HB3 CYS A 144 2.493 -5.233 8.707 1.00 0.00 H new ATOM 212 N GLY A 145 -0.887 -3.223 10.069 1.00 0.00 N ATOM 213 CA GLY A 145 -1.656 -2.073 10.510 1.00 0.00 C ATOM 214 C GLY A 145 -1.794 -1.019 9.430 1.00 0.00 C ATOM 215 O GLY A 145 -2.117 0.135 9.716 1.00 0.00 O ATOM 0 H GLY A 145 -1.277 -3.717 9.266 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.648 -2.401 10.822 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -1.176 -1.633 11.384 1.00 0.00 H new ATOM 219 N LYS A 146 -1.548 -1.413 8.185 1.00 0.00 N ATOM 220 CA LYS A 146 -1.646 -0.494 7.058 1.00 0.00 C ATOM 221 C LYS A 146 -3.103 -0.164 6.750 1.00 0.00 C ATOM 222 O LYS A 146 -4.016 -0.698 7.379 1.00 0.00 O ATOM 223 CB LYS A 146 -0.977 -1.098 5.821 1.00 0.00 C ATOM 224 CG LYS A 146 0.295 -0.379 5.405 1.00 0.00 C ATOM 225 CD LYS A 146 0.353 -0.174 3.901 1.00 0.00 C ATOM 226 CE LYS A 146 0.969 1.170 3.545 1.00 0.00 C ATOM 227 NZ LYS A 146 -0.061 2.156 3.115 1.00 0.00 N ATOM 0 H LYS A 146 -1.279 -2.364 7.931 1.00 0.00 H new ATOM 0 HA LYS A 146 -1.132 0.428 7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.745 -2.145 6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -1.683 -1.079 4.991 1.00 0.00 H new ATOM 0 HG2 LYS A 146 0.349 0.587 5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.162 -0.955 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 146 0.936 -0.975 3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.653 -0.236 3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 146 1.509 1.562 4.407 1.00 0.00 H new ATOM 0 HE3 LYS A 146 1.698 1.035 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 0.399 3.059 2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -0.560 1.794 2.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -0.743 2.304 3.886 1.00 0.00 H new ATOM 241 N SER A 147 -3.312 0.719 5.778 1.00 0.00 N ATOM 242 CA SER A 147 -4.659 1.121 5.388 1.00 0.00 C ATOM 243 C SER A 147 -4.684 1.602 3.941 1.00 0.00 C ATOM 244 O SER A 147 -3.814 2.359 3.510 1.00 0.00 O ATOM 245 CB SER A 147 -5.171 2.227 6.314 1.00 0.00 C ATOM 246 OG SER A 147 -4.674 3.494 5.919 1.00 0.00 O ATOM 0 H SER A 147 -2.567 1.169 5.247 1.00 0.00 H new ATOM 0 HA SER A 147 -5.311 0.252 5.475 1.00 0.00 H new ATOM 0 HB2 SER A 147 -6.261 2.240 6.302 1.00 0.00 H new ATOM 0 HB3 SER A 147 -4.867 2.017 7.339 1.00 0.00 H new ATOM 0 HG SER A 147 -5.017 4.183 6.525 1.00 0.00 H new ATOM 252 N PHE A 148 -5.689 1.156 3.194 1.00 0.00 N ATOM 253 CA PHE A 148 -5.829 1.538 1.793 1.00 0.00 C ATOM 254 C PHE A 148 -7.229 2.076 1.514 1.00 0.00 C ATOM 255 O PHE A 148 -8.146 1.898 2.316 1.00 0.00 O ATOM 256 CB PHE A 148 -5.539 0.342 0.885 1.00 0.00 C ATOM 257 CG PHE A 148 -4.136 -0.180 1.010 1.00 0.00 C ATOM 258 CD1 PHE A 148 -3.783 -1.008 2.064 1.00 0.00 C ATOM 259 CD2 PHE A 148 -3.171 0.157 0.075 1.00 0.00 C ATOM 260 CE1 PHE A 148 -2.493 -1.490 2.182 1.00 0.00 C ATOM 261 CE2 PHE A 148 -1.880 -0.323 0.188 1.00 0.00 C ATOM 262 CZ PHE A 148 -1.540 -1.146 1.244 1.00 0.00 C ATOM 0 H PHE A 148 -6.418 0.530 3.535 1.00 0.00 H new ATOM 0 HA PHE A 148 -5.107 2.327 1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -6.239 -0.460 1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -5.720 0.630 -0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -4.524 -1.280 2.801 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -3.430 0.802 -0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -2.231 -2.135 3.007 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -1.137 -0.055 -0.549 1.00 0.00 H new ATOM 0 HZ PHE A 148 -0.531 -1.520 1.336 1.00 0.00 H new ATOM 272 N SER A 149 -7.386 2.736 0.371 1.00 0.00 N ATOM 273 CA SER A 149 -8.673 3.304 -0.014 1.00 0.00 C ATOM 274 C SER A 149 -9.273 2.542 -1.191 1.00 0.00 C ATOM 275 O SER A 149 -10.163 3.042 -1.878 1.00 0.00 O ATOM 276 CB SER A 149 -8.514 4.782 -0.376 1.00 0.00 C ATOM 277 OG SER A 149 -8.395 4.954 -1.777 1.00 0.00 O ATOM 0 H SER A 149 -6.638 2.891 -0.305 1.00 0.00 H new ATOM 0 HA SER A 149 -9.350 3.216 0.836 1.00 0.00 H new ATOM 0 HB2 SER A 149 -9.373 5.344 -0.009 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.632 5.188 0.120 1.00 0.00 H new ATOM 0 HG SER A 149 -9.217 4.650 -2.215 1.00 0.00 H new ATOM 283 N GLN A 150 -8.779 1.329 -1.417 1.00 0.00 N ATOM 284 CA GLN A 150 -9.265 0.498 -2.512 1.00 0.00 C ATOM 285 C GLN A 150 -9.233 -0.979 -2.130 1.00 0.00 C ATOM 286 O GLN A 150 -8.205 -1.493 -1.690 1.00 0.00 O ATOM 287 CB GLN A 150 -8.426 0.730 -3.769 1.00 0.00 C ATOM 288 CG GLN A 150 -8.158 2.198 -4.059 1.00 0.00 C ATOM 289 CD GLN A 150 -7.719 2.440 -5.490 1.00 0.00 C ATOM 290 OE1 GLN A 150 -7.110 1.575 -6.119 1.00 0.00 O ATOM 291 NE2 GLN A 150 -8.028 3.621 -6.012 1.00 0.00 N ATOM 0 H GLN A 150 -8.043 0.900 -0.857 1.00 0.00 H new ATOM 0 HA GLN A 150 -10.298 0.780 -2.717 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.474 0.210 -3.662 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -8.937 0.287 -4.624 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -9.061 2.775 -3.858 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.388 2.564 -3.380 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -8.534 4.309 -5.454 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -7.759 3.841 -6.971 1.00 0.00 H new ATOM 300 N ARG A 151 -10.365 -1.654 -2.301 1.00 0.00 N ATOM 301 CA ARG A 151 -10.466 -3.071 -1.973 1.00 0.00 C ATOM 302 C ARG A 151 -9.381 -3.873 -2.685 1.00 0.00 C ATOM 303 O ARG A 151 -8.872 -4.858 -2.153 1.00 0.00 O ATOM 304 CB ARG A 151 -11.846 -3.607 -2.357 1.00 0.00 C ATOM 305 CG ARG A 151 -11.998 -5.105 -2.143 1.00 0.00 C ATOM 306 CD ARG A 151 -13.168 -5.420 -1.223 1.00 0.00 C ATOM 307 NE ARG A 151 -14.435 -5.473 -1.947 1.00 0.00 N ATOM 308 CZ ARG A 151 -15.558 -5.958 -1.428 1.00 0.00 C ATOM 309 NH1 ARG A 151 -15.570 -6.429 -0.189 1.00 0.00 N ATOM 310 NH2 ARG A 151 -16.671 -5.973 -2.150 1.00 0.00 N ATOM 0 H ARG A 151 -11.225 -1.243 -2.665 1.00 0.00 H new ATOM 0 HA ARG A 151 -10.327 -3.180 -0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -12.604 -3.086 -1.773 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -12.037 -3.377 -3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -12.146 -5.598 -3.104 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -11.079 -5.508 -1.716 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -12.993 -6.375 -0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -13.229 -4.663 -0.441 1.00 0.00 H new ATOM 0 HE ARG A 151 -14.459 -5.118 -2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -14.716 -6.420 0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -16.433 -6.801 0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -16.665 -5.612 -3.104 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -17.533 -6.345 -1.751 1.00 0.00 H new ATOM 324 N GLY A 152 -9.031 -3.443 -3.894 1.00 0.00 N ATOM 325 CA GLY A 152 -8.009 -4.132 -4.660 1.00 0.00 C ATOM 326 C GLY A 152 -6.608 -3.810 -4.179 1.00 0.00 C ATOM 327 O GLY A 152 -5.748 -4.688 -4.119 1.00 0.00 O ATOM 0 H GLY A 152 -9.437 -2.630 -4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -8.174 -5.207 -4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -8.101 -3.858 -5.711 1.00 0.00 H new ATOM 331 N SER A 153 -6.377 -2.547 -3.837 1.00 0.00 N ATOM 332 CA SER A 153 -5.069 -2.109 -3.364 1.00 0.00 C ATOM 333 C SER A 153 -4.659 -2.878 -2.111 1.00 0.00 C ATOM 334 O SER A 153 -3.547 -3.400 -2.024 1.00 0.00 O ATOM 335 CB SER A 153 -5.084 -0.607 -3.073 1.00 0.00 C ATOM 336 OG SER A 153 -5.139 0.144 -4.273 1.00 0.00 O ATOM 0 H SER A 153 -7.079 -1.808 -3.879 1.00 0.00 H new ATOM 0 HA SER A 153 -4.340 -2.312 -4.149 1.00 0.00 H new ATOM 0 HB2 SER A 153 -5.943 -0.363 -2.448 1.00 0.00 H new ATOM 0 HB3 SER A 153 -4.192 -0.334 -2.510 1.00 0.00 H new ATOM 0 HG SER A 153 -5.149 1.101 -4.060 1.00 0.00 H new ATOM 342 N LEU A 154 -5.566 -2.943 -1.142 1.00 0.00 N ATOM 343 CA LEU A 154 -5.301 -3.647 0.108 1.00 0.00 C ATOM 344 C LEU A 154 -4.882 -5.089 -0.158 1.00 0.00 C ATOM 345 O LEU A 154 -3.881 -5.564 0.378 1.00 0.00 O ATOM 346 CB LEU A 154 -6.541 -3.621 1.003 1.00 0.00 C ATOM 347 CG LEU A 154 -6.573 -4.650 2.134 1.00 0.00 C ATOM 348 CD1 LEU A 154 -5.432 -4.407 3.110 1.00 0.00 C ATOM 349 CD2 LEU A 154 -7.912 -4.607 2.856 1.00 0.00 C ATOM 0 H LEU A 154 -6.491 -2.517 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 154 -4.482 -3.138 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -6.628 -2.627 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.420 -3.772 0.377 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.448 -5.642 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.471 -5.149 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.480 -4.489 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.526 -3.409 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.917 -5.346 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -8.067 -3.614 3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.713 -4.831 2.151 1.00 0.00 H new ATOM 361 N ALA A 155 -5.653 -5.780 -0.991 1.00 0.00 N ATOM 362 CA ALA A 155 -5.359 -7.167 -1.332 1.00 0.00 C ATOM 363 C ALA A 155 -3.912 -7.326 -1.785 1.00 0.00 C ATOM 364 O ALA A 155 -3.194 -8.205 -1.308 1.00 0.00 O ATOM 365 CB ALA A 155 -6.310 -7.657 -2.413 1.00 0.00 C ATOM 0 H ALA A 155 -6.486 -5.402 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 155 -5.500 -7.773 -0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -6.079 -8.694 -2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -7.336 -7.589 -2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -6.197 -7.040 -3.304 1.00 0.00 H new ATOM 371 N VAL A 156 -3.489 -6.470 -2.710 1.00 0.00 N ATOM 372 CA VAL A 156 -2.127 -6.516 -3.228 1.00 0.00 C ATOM 373 C VAL A 156 -1.107 -6.419 -2.100 1.00 0.00 C ATOM 374 O VAL A 156 0.004 -6.942 -2.206 1.00 0.00 O ATOM 375 CB VAL A 156 -1.871 -5.378 -4.235 1.00 0.00 C ATOM 376 CG1 VAL A 156 -0.478 -5.498 -4.833 1.00 0.00 C ATOM 377 CG2 VAL A 156 -2.931 -5.385 -5.326 1.00 0.00 C ATOM 0 H VAL A 156 -4.070 -5.736 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 156 -2.014 -7.474 -3.736 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.932 -4.427 -3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -0.315 -4.686 -5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 156 0.265 -5.440 -4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -0.384 -6.454 -5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -2.735 -4.575 -6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -2.903 -6.338 -5.854 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.915 -5.247 -4.878 1.00 0.00 H new ATOM 387 N HIS A 157 -1.490 -5.749 -1.018 1.00 0.00 N ATOM 388 CA HIS A 157 -0.608 -5.585 0.132 1.00 0.00 C ATOM 389 C HIS A 157 -0.803 -6.721 1.132 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 -0.868 -4.241 0.813 1.00 0.00 C ATOM 392 CG HIS A 157 -0.167 -4.090 2.128 1.00 0.00 C ATOM 393 ND1 HIS A 157 1.073 -3.500 2.257 1.00 0.00 N ATOM 394 CD2 HIS A 157 -0.540 -4.455 3.377 1.00 0.00 C ATOM 395 CE1 HIS A 157 1.432 -3.510 3.528 1.00 0.00 C ATOM 396 NE2 HIS A 157 0.471 -4.084 4.229 1.00 0.00 N ATOM 0 H HIS A 157 -2.405 -5.311 -0.913 1.00 0.00 H new ATOM 0 HA HIS A 157 0.422 -5.610 -0.224 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -0.551 -3.438 0.147 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -1.941 -4.122 0.967 1.00 0.00 H new ATOM 0 HD1 HIS A 157 1.626 -3.116 1.491 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -1.461 -4.947 3.652 1.00 0.00 H new ATOM 0 HE1 HIS A 157 2.355 -3.116 3.927 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 -2.221 -8.547 1.893 1.00 0.00 C ATOM 406 C GLU A 158 -1.696 -9.862 1.323 1.00 0.00 C ATOM 407 O GLU A 158 -1.635 -10.873 2.023 1.00 0.00 O ATOM 408 CB GLU A 158 -3.730 -8.645 2.125 1.00 0.00 C ATOM 409 CG GLU A 158 -4.335 -7.391 2.733 1.00 0.00 C ATOM 410 CD GLU A 158 -5.258 -7.693 3.897 1.00 0.00 C ATOM 411 OE1 GLU A 158 -4.750 -7.896 5.020 1.00 0.00 O ATOM 412 OE2 GLU A 158 -6.488 -7.727 3.685 1.00 0.00 O ATOM 0 H GLU A 158 -2.621 -7.266 0.281 1.00 0.00 H new ATOM 0 HA GLU A 158 -1.726 -8.360 2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.222 -8.852 1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -3.934 -9.491 2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -3.534 -6.733 3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -4.889 -6.851 1.965 1.00 0.00 H new ATOM 419 N ARG A 159 -1.320 -9.841 0.049 1.00 0.00 N ATOM 420 CA ARG A 159 -0.802 -11.031 -0.615 1.00 0.00 C ATOM 421 C ARG A 159 0.722 -11.007 -0.663 1.00 0.00 C ATOM 422 O ARG A 159 1.375 -12.039 -0.501 1.00 0.00 O ATOM 423 CB ARG A 159 -1.366 -11.135 -2.034 1.00 0.00 C ATOM 424 CG ARG A 159 -1.009 -9.952 -2.919 1.00 0.00 C ATOM 425 CD ARG A 159 0.163 -10.274 -3.833 1.00 0.00 C ATOM 426 NE ARG A 159 -0.122 -11.406 -4.711 1.00 0.00 N ATOM 427 CZ ARG A 159 0.709 -11.828 -5.658 1.00 0.00 C ATOM 428 NH1 ARG A 159 1.869 -11.217 -5.848 1.00 0.00 N ATOM 429 NH2 ARG A 159 0.379 -12.865 -6.417 1.00 0.00 N ATOM 0 H ARG A 159 -1.364 -9.013 -0.544 1.00 0.00 H new ATOM 0 HA ARG A 159 -1.116 -11.903 -0.041 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -0.995 -12.049 -2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -2.451 -11.223 -1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -1.874 -9.672 -3.520 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -0.761 -9.092 -2.297 1.00 0.00 H new ATOM 0 HD2 ARG A 159 0.403 -9.399 -4.437 1.00 0.00 H new ATOM 0 HD3 ARG A 159 1.043 -10.496 -3.229 1.00 0.00 H new ATOM 0 HE ARG A 159 -1.007 -11.899 -4.591 1.00 0.00 H new ATOM 0 HH11 ARG A 159 2.127 -10.420 -5.266 1.00 0.00 H new ATOM 0 HH12 ARG A 159 2.504 -11.544 -6.576 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -0.513 -13.339 -6.274 1.00 0.00 H new ATOM 0 HH22 ARG A 159 1.017 -13.189 -7.144 1.00 0.00 H new ATOM 443 N LEU A 160 1.284 -9.824 -0.887 1.00 0.00 N ATOM 444 CA LEU A 160 2.732 -9.665 -0.957 1.00 0.00 C ATOM 445 C LEU A 160 3.368 -9.855 0.417 1.00 0.00 C ATOM 446 O LEU A 160 4.584 -10.007 0.534 1.00 0.00 O ATOM 447 CB LEU A 160 3.088 -8.284 -1.510 1.00 0.00 C ATOM 448 CG LEU A 160 3.573 -7.256 -0.487 1.00 0.00 C ATOM 449 CD1 LEU A 160 4.026 -5.983 -1.183 1.00 0.00 C ATOM 450 CD2 LEU A 160 2.478 -6.953 0.525 1.00 0.00 C ATOM 0 H LEU A 160 0.758 -8.961 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 160 3.124 -10.430 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 160 3.862 -8.407 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 160 2.210 -7.879 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 160 4.426 -7.677 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 160 4.368 -5.263 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.843 -6.213 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.193 -5.558 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.841 -6.220 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.606 -6.553 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.202 -7.869 1.048 1.00 0.00 H new ATOM 462 N HIS A 161 2.536 -9.847 1.454 1.00 0.00 N ATOM 463 CA HIS A 161 3.016 -10.020 2.820 1.00 0.00 C ATOM 464 C HIS A 161 3.856 -11.288 2.944 1.00 0.00 C ATOM 465 O HIS A 161 4.958 -11.265 3.494 1.00 0.00 O ATOM 466 CB HIS A 161 1.839 -10.078 3.794 1.00 0.00 C ATOM 467 CG HIS A 161 1.682 -8.838 4.618 1.00 0.00 C ATOM 468 ND1 HIS A 161 2.622 -8.421 5.537 1.00 0.00 N ATOM 469 CD2 HIS A 161 0.687 -7.920 4.657 1.00 0.00 C ATOM 470 CE1 HIS A 161 2.212 -7.302 6.107 1.00 0.00 C ATOM 471 NE2 HIS A 161 1.040 -6.977 5.590 1.00 0.00 N ATOM 0 H HIS A 161 1.527 -9.723 1.374 1.00 0.00 H new ATOM 0 HA HIS A 161 3.642 -9.163 3.069 1.00 0.00 H new ATOM 0 HB2 HIS A 161 0.921 -10.249 3.232 1.00 0.00 H new ATOM 0 HB3 HIS A 161 1.970 -10.932 4.459 1.00 0.00 H new ATOM 0 HD1 HIS A 161 3.497 -8.902 5.744 1.00 0.00 H new ATOM 0 HD2 HIS A 161 -0.216 -7.928 4.064 1.00 0.00 H new ATOM 0 HE1 HIS A 161 2.744 -6.747 6.866 1.00 0.00 H new ATOM 479 N THR A 162 3.329 -12.394 2.429 1.00 0.00 N ATOM 480 CA THR A 162 4.028 -13.672 2.483 1.00 0.00 C ATOM 481 C THR A 162 5.346 -13.610 1.719 1.00 0.00 C ATOM 482 O THR A 162 5.407 -13.082 0.609 1.00 0.00 O ATOM 483 CB THR A 162 3.166 -14.810 1.905 1.00 0.00 C ATOM 484 OG1 THR A 162 3.932 -16.017 1.833 1.00 0.00 O ATOM 485 CG2 THR A 162 2.650 -14.448 0.520 1.00 0.00 C ATOM 0 H THR A 162 2.419 -12.431 1.969 1.00 0.00 H new ATOM 0 HA THR A 162 4.229 -13.878 3.534 1.00 0.00 H new ATOM 0 HB THR A 162 2.312 -14.961 2.566 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.376 -16.736 1.466 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.044 -15.267 0.132 1.00 0.00 H new ATOM 0 HG22 THR A 162 2.043 -13.545 0.583 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.493 -14.273 -0.148 1.00 0.00 H new ATOM 493 N GLY A 163 6.400 -14.153 2.321 1.00 0.00 N ATOM 494 CA GLY A 163 7.703 -14.149 1.682 1.00 0.00 C ATOM 495 C GLY A 163 8.546 -12.958 2.091 1.00 0.00 C ATOM 496 O GLY A 163 8.031 -11.852 2.256 1.00 0.00 O ATOM 0 H GLY A 163 6.375 -14.595 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 163 8.231 -15.068 1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 163 7.573 -14.144 0.600 1.00 0.00 H new ATOM 500 N SER A 164 9.845 -13.183 2.256 1.00 0.00 N ATOM 501 CA SER A 164 10.761 -12.119 2.654 1.00 0.00 C ATOM 502 C SER A 164 10.673 -10.938 1.692 1.00 0.00 C ATOM 503 O SER A 164 10.647 -9.782 2.111 1.00 0.00 O ATOM 504 CB SER A 164 12.196 -12.646 2.703 1.00 0.00 C ATOM 505 OG SER A 164 13.105 -11.617 3.056 1.00 0.00 O ATOM 0 H SER A 164 10.288 -14.092 2.121 1.00 0.00 H new ATOM 0 HA SER A 164 10.473 -11.777 3.648 1.00 0.00 H new ATOM 0 HB2 SER A 164 12.264 -13.459 3.426 1.00 0.00 H new ATOM 0 HB3 SER A 164 12.469 -13.059 1.732 1.00 0.00 H new ATOM 0 HG SER A 164 14.015 -11.979 3.082 1.00 0.00 H new ATOM 511 N GLY A 165 10.626 -11.240 0.397 1.00 0.00 N ATOM 512 CA GLY A 165 10.542 -10.194 -0.605 1.00 0.00 C ATOM 513 C GLY A 165 11.867 -9.491 -0.823 1.00 0.00 C ATOM 514 O GLY A 165 12.886 -9.844 -0.229 1.00 0.00 O ATOM 0 H GLY A 165 10.645 -12.190 0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 165 10.203 -10.625 -1.547 1.00 0.00 H new ATOM 0 HA3 GLY A 165 9.792 -9.463 -0.301 1.00 0.00 H new ATOM 518 N PRO A 166 11.865 -8.472 -1.696 1.00 0.00 N ATOM 519 CA PRO A 166 13.069 -7.698 -2.012 1.00 0.00 C ATOM 520 C PRO A 166 13.521 -6.827 -0.845 1.00 0.00 C ATOM 521 O PRO A 166 12.974 -6.913 0.255 1.00 0.00 O ATOM 522 CB PRO A 166 12.631 -6.827 -3.192 1.00 0.00 C ATOM 523 CG PRO A 166 11.154 -6.701 -3.041 1.00 0.00 C ATOM 524 CD PRO A 166 10.687 -7.997 -2.440 1.00 0.00 C ATOM 0 HA PRO A 166 13.921 -8.341 -2.233 1.00 0.00 H new ATOM 0 HB2 PRO A 166 13.116 -5.851 -3.166 1.00 0.00 H new ATOM 0 HB3 PRO A 166 12.894 -7.288 -4.144 1.00 0.00 H new ATOM 0 HG2 PRO A 166 10.898 -5.858 -2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 166 10.677 -6.524 -4.005 1.00 0.00 H new ATOM 0 HD2 PRO A 166 9.830 -7.850 -1.783 1.00 0.00 H new ATOM 0 HD3 PRO A 166 10.382 -8.709 -3.207 1.00 0.00 H new ATOM 532 N SER A 167 14.522 -5.988 -1.092 1.00 0.00 N ATOM 533 CA SER A 167 15.050 -5.103 -0.060 1.00 0.00 C ATOM 534 C SER A 167 13.945 -4.222 0.517 1.00 0.00 C ATOM 535 O SER A 167 13.573 -4.357 1.682 1.00 0.00 O ATOM 536 CB SER A 167 16.169 -4.229 -0.631 1.00 0.00 C ATOM 537 OG SER A 167 17.160 -5.020 -1.264 1.00 0.00 O ATOM 0 H SER A 167 14.984 -5.902 -1.998 1.00 0.00 H new ATOM 0 HA SER A 167 15.455 -5.721 0.742 1.00 0.00 H new ATOM 0 HB2 SER A 167 15.752 -3.521 -1.347 1.00 0.00 H new ATOM 0 HB3 SER A 167 16.622 -3.644 0.169 1.00 0.00 H new ATOM 0 HG SER A 167 17.863 -4.439 -1.622 1.00 0.00 H new ATOM 543 N SER A 168 13.426 -3.319 -0.309 1.00 0.00 N ATOM 544 CA SER A 168 12.367 -2.412 0.119 1.00 0.00 C ATOM 545 C SER A 168 11.004 -3.092 0.039 1.00 0.00 C ATOM 546 O SER A 168 10.356 -3.332 1.057 1.00 0.00 O ATOM 547 CB SER A 168 12.370 -1.148 -0.743 1.00 0.00 C ATOM 548 OG SER A 168 11.081 -0.562 -0.794 1.00 0.00 O ATOM 0 H SER A 168 13.721 -3.196 -1.278 1.00 0.00 H new ATOM 0 HA SER A 168 12.556 -2.136 1.157 1.00 0.00 H new ATOM 0 HB2 SER A 168 13.083 -0.430 -0.339 1.00 0.00 H new ATOM 0 HB3 SER A 168 12.702 -1.393 -1.752 1.00 0.00 H new ATOM 0 HG SER A 168 11.110 0.245 -1.349 1.00 0.00 H new ATOM 554 N GLY A 169 10.574 -3.401 -1.181 1.00 0.00 N ATOM 555 CA GLY A 169 9.291 -4.051 -1.374 1.00 0.00 C ATOM 556 C GLY A 169 8.143 -3.062 -1.424 1.00 0.00 C ATOM 557 O GLY A 169 6.989 -3.479 -1.332 1.00 0.00 O ATOM 0 H GLY A 169 11.092 -3.213 -2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 169 9.313 -4.625 -2.301 1.00 0.00 H new ATOM 0 HA3 GLY A 169 9.121 -4.760 -0.564 1.00 0.00 H new TER 561 GLY A 169 HETATM 562 ZN ZN A 201 0.224 -5.220 5.984 1.00 0.00 ZN