USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 270 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 157 HIS HE2 : A 157 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 161 HIS HE2 : A 161 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 137 LYS NZ :NH3+ 138:sc= 0.921 (180deg=0.0721) USER MOD Set 1.2: A 147 SER OG : rot 180:sc= -0.391 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 180:sc= 0 USER MOD Single : A 134 SER OG : rot 31:sc= 0.549 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.411 USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ -110:sc= 0.194 (180deg=0) USER MOD Single : A 149 SER OG : rot 64:sc= 0.44 USER MOD Single : A 150 GLN : amide:sc= -1.04 K(o=-1,f=-2.3) USER MOD Single : A 153 SER OG : rot 50:sc= -0.203 USER MOD Single : A 162 THR OG1 : rot 180:sc= -0.0304 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 9.396 16.678 8.396 1.00 0.00 N ATOM 2 CA GLY A 129 9.438 15.306 8.866 1.00 0.00 C ATOM 3 C GLY A 129 8.336 14.454 8.269 1.00 0.00 C ATOM 4 O GLY A 129 8.344 14.166 7.072 1.00 0.00 O ATOM 0 HA2 GLY A 129 10.405 14.870 8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 129 9.353 15.295 9.953 1.00 0.00 H new ATOM 8 N SER A 130 7.386 14.047 9.105 1.00 0.00 N ATOM 9 CA SER A 130 6.275 13.217 8.653 1.00 0.00 C ATOM 10 C SER A 130 4.941 13.800 9.111 1.00 0.00 C ATOM 11 O SER A 130 4.845 14.388 10.188 1.00 0.00 O ATOM 12 CB SER A 130 6.429 11.790 9.182 1.00 0.00 C ATOM 13 OG SER A 130 7.392 11.731 10.220 1.00 0.00 O ATOM 0 H SER A 130 7.363 14.278 10.098 1.00 0.00 H new ATOM 0 HA SER A 130 6.288 13.196 7.563 1.00 0.00 H new ATOM 0 HB2 SER A 130 5.469 11.431 9.552 1.00 0.00 H new ATOM 0 HB3 SER A 130 6.725 11.128 8.369 1.00 0.00 H new ATOM 0 HG SER A 130 7.470 10.809 10.542 1.00 0.00 H new ATOM 19 N SER A 131 3.914 13.632 8.284 1.00 0.00 N ATOM 20 CA SER A 131 2.586 14.144 8.601 1.00 0.00 C ATOM 21 C SER A 131 1.513 13.387 7.824 1.00 0.00 C ATOM 22 O SER A 131 1.258 13.675 6.655 1.00 0.00 O ATOM 23 CB SER A 131 2.504 15.638 8.283 1.00 0.00 C ATOM 24 OG SER A 131 2.225 16.392 9.450 1.00 0.00 O ATOM 0 H SER A 131 3.976 13.145 7.390 1.00 0.00 H new ATOM 0 HA SER A 131 2.411 13.996 9.667 1.00 0.00 H new ATOM 0 HB2 SER A 131 3.445 15.972 7.846 1.00 0.00 H new ATOM 0 HB3 SER A 131 1.727 15.813 7.539 1.00 0.00 H new ATOM 0 HG SER A 131 2.179 17.344 9.221 1.00 0.00 H new ATOM 30 N GLY A 132 0.887 12.417 8.483 1.00 0.00 N ATOM 31 CA GLY A 132 -0.152 11.634 7.840 1.00 0.00 C ATOM 32 C GLY A 132 -1.525 11.902 8.423 1.00 0.00 C ATOM 33 O GLY A 132 -2.388 11.024 8.424 1.00 0.00 O ATOM 0 H GLY A 132 1.081 12.159 9.451 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -0.164 11.858 6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 132 0.081 10.574 7.941 1.00 0.00 H new ATOM 37 N SER A 133 -1.728 13.117 8.921 1.00 0.00 N ATOM 38 CA SER A 133 -3.005 13.496 9.515 1.00 0.00 C ATOM 39 C SER A 133 -4.046 13.771 8.435 1.00 0.00 C ATOM 40 O SER A 133 -3.898 14.695 7.635 1.00 0.00 O ATOM 41 CB SER A 133 -2.832 14.733 10.400 1.00 0.00 C ATOM 42 OG SER A 133 -2.698 14.370 11.763 1.00 0.00 O ATOM 0 H SER A 133 -1.025 13.856 8.925 1.00 0.00 H new ATOM 0 HA SER A 133 -3.354 12.665 10.128 1.00 0.00 H new ATOM 0 HB2 SER A 133 -1.952 15.292 10.081 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.691 15.394 10.279 1.00 0.00 H new ATOM 0 HG SER A 133 -2.587 15.177 12.307 1.00 0.00 H new ATOM 48 N SER A 134 -5.100 12.961 8.417 1.00 0.00 N ATOM 49 CA SER A 134 -6.165 13.113 7.433 1.00 0.00 C ATOM 50 C SER A 134 -7.460 12.480 7.933 1.00 0.00 C ATOM 51 O SER A 134 -8.498 13.137 8.002 1.00 0.00 O ATOM 52 CB SER A 134 -5.754 12.478 6.103 1.00 0.00 C ATOM 53 OG SER A 134 -5.037 13.399 5.299 1.00 0.00 O ATOM 0 H SER A 134 -5.239 12.193 9.073 1.00 0.00 H new ATOM 0 HA SER A 134 -6.336 14.179 7.281 1.00 0.00 H new ATOM 0 HB2 SER A 134 -5.138 11.598 6.291 1.00 0.00 H new ATOM 0 HB3 SER A 134 -6.641 12.138 5.569 1.00 0.00 H new ATOM 0 HG SER A 134 -4.538 14.016 5.874 1.00 0.00 H new ATOM 59 N GLY A 135 -7.390 11.199 8.281 1.00 0.00 N ATOM 60 CA GLY A 135 -8.563 10.498 8.769 1.00 0.00 C ATOM 61 C GLY A 135 -8.405 8.991 8.709 1.00 0.00 C ATOM 62 O GLY A 135 -7.287 8.478 8.715 1.00 0.00 O ATOM 0 H GLY A 135 -6.542 10.634 8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -8.760 10.799 9.798 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -9.431 10.793 8.179 1.00 0.00 H new ATOM 66 N GLU A 136 -9.528 8.282 8.652 1.00 0.00 N ATOM 67 CA GLU A 136 -9.508 6.825 8.593 1.00 0.00 C ATOM 68 C GLU A 136 -9.806 6.333 7.180 1.00 0.00 C ATOM 69 O GLU A 136 -10.300 7.086 6.339 1.00 0.00 O ATOM 70 CB GLU A 136 -10.525 6.238 9.574 1.00 0.00 C ATOM 71 CG GLU A 136 -9.893 5.634 10.817 1.00 0.00 C ATOM 72 CD GLU A 136 -10.275 4.180 11.017 1.00 0.00 C ATOM 73 OE1 GLU A 136 -11.455 3.913 11.327 1.00 0.00 O ATOM 74 OE2 GLU A 136 -9.393 3.309 10.863 1.00 0.00 O ATOM 0 H GLU A 136 -10.462 8.692 8.645 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.509 6.490 8.873 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.221 7.021 9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -11.108 5.471 9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -8.808 5.714 10.744 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -10.197 6.209 11.691 1.00 0.00 H new ATOM 81 N LYS A 137 -9.504 5.065 6.924 1.00 0.00 N ATOM 82 CA LYS A 137 -9.739 4.471 5.614 1.00 0.00 C ATOM 83 C LYS A 137 -10.721 3.307 5.713 1.00 0.00 C ATOM 84 O LYS A 137 -10.880 2.686 6.764 1.00 0.00 O ATOM 85 CB LYS A 137 -8.421 3.989 5.005 1.00 0.00 C ATOM 86 CG LYS A 137 -7.506 5.119 4.564 1.00 0.00 C ATOM 87 CD LYS A 137 -6.457 4.634 3.577 1.00 0.00 C ATOM 88 CE LYS A 137 -5.494 5.748 3.195 1.00 0.00 C ATOM 89 NZ LYS A 137 -4.073 5.319 3.315 1.00 0.00 N ATOM 0 H LYS A 137 -9.095 4.428 7.608 1.00 0.00 H new ATOM 0 HA LYS A 137 -10.172 5.236 4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -7.897 3.372 5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -8.638 3.352 4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -8.099 5.911 4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.015 5.552 5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.901 3.805 4.014 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.947 4.252 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -5.693 6.064 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.667 6.613 3.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -3.533 5.673 2.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -3.667 5.704 4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -4.025 4.280 3.338 1.00 0.00 H new ATOM 103 N PRO A 138 -11.394 3.003 4.593 1.00 0.00 N ATOM 104 CA PRO A 138 -12.369 1.910 4.529 1.00 0.00 C ATOM 105 C PRO A 138 -11.711 0.538 4.623 1.00 0.00 C ATOM 106 O PRO A 138 -12.383 -0.471 4.835 1.00 0.00 O ATOM 107 CB PRO A 138 -13.021 2.098 3.156 1.00 0.00 C ATOM 108 CG PRO A 138 -11.997 2.813 2.345 1.00 0.00 C ATOM 109 CD PRO A 138 -11.254 3.701 3.305 1.00 0.00 C ATOM 0 HA PRO A 138 -13.074 1.943 5.360 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -13.283 1.140 2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -13.942 2.677 3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -11.320 2.108 1.862 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -12.465 3.399 1.554 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -10.208 3.814 3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -11.684 4.702 3.342 1.00 0.00 H new ATOM 117 N TYR A 139 -10.392 0.508 4.464 1.00 0.00 N ATOM 118 CA TYR A 139 -9.643 -0.741 4.529 1.00 0.00 C ATOM 119 C TYR A 139 -8.446 -0.610 5.466 1.00 0.00 C ATOM 120 O TYR A 139 -7.877 0.471 5.615 1.00 0.00 O ATOM 121 CB TYR A 139 -9.170 -1.149 3.133 1.00 0.00 C ATOM 122 CG TYR A 139 -10.272 -1.156 2.098 1.00 0.00 C ATOM 123 CD1 TYR A 139 -11.231 -2.162 2.083 1.00 0.00 C ATOM 124 CD2 TYR A 139 -10.355 -0.158 1.136 1.00 0.00 C ATOM 125 CE1 TYR A 139 -12.239 -2.173 1.139 1.00 0.00 C ATOM 126 CE2 TYR A 139 -11.361 -0.160 0.189 1.00 0.00 C ATOM 127 CZ TYR A 139 -12.300 -1.170 0.194 1.00 0.00 C ATOM 128 OH TYR A 139 -13.303 -1.177 -0.748 1.00 0.00 O ATOM 0 H TYR A 139 -9.820 1.334 4.289 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.305 -1.513 4.921 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.385 -0.465 2.811 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -8.726 -2.143 3.185 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.187 -2.948 2.822 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.620 0.634 1.128 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -12.976 -2.963 1.141 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -11.412 0.625 -0.551 1.00 0.00 H new ATOM 0 HH TYR A 139 -13.203 -0.401 -1.338 1.00 0.00 H new ATOM 138 N GLN A 140 -8.070 -1.719 6.094 1.00 0.00 N ATOM 139 CA GLN A 140 -6.941 -1.729 7.016 1.00 0.00 C ATOM 140 C GLN A 140 -6.341 -3.127 7.128 1.00 0.00 C ATOM 141 O GLN A 140 -7.043 -4.093 7.430 1.00 0.00 O ATOM 142 CB GLN A 140 -7.379 -1.237 8.397 1.00 0.00 C ATOM 143 CG GLN A 140 -6.241 -1.152 9.402 1.00 0.00 C ATOM 144 CD GLN A 140 -6.701 -1.388 10.827 1.00 0.00 C ATOM 145 OE1 GLN A 140 -7.814 -1.017 11.201 1.00 0.00 O ATOM 146 NE2 GLN A 140 -5.846 -2.008 11.631 1.00 0.00 N ATOM 0 H GLN A 140 -8.531 -2.622 5.981 1.00 0.00 H new ATOM 0 HA GLN A 140 -6.178 -1.057 6.623 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -7.836 -0.253 8.295 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -8.146 -1.906 8.785 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.478 -1.887 9.144 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -5.773 -0.170 9.333 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -4.934 -2.298 11.279 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.101 -2.194 12.601 1.00 0.00 H new ATOM 155 N CYS A 141 -5.039 -3.228 6.882 1.00 0.00 N ATOM 156 CA CYS A 141 -4.344 -4.508 6.954 1.00 0.00 C ATOM 157 C CYS A 141 -4.352 -5.052 8.379 1.00 0.00 C ATOM 158 O CYS A 141 -4.137 -4.312 9.340 1.00 0.00 O ATOM 159 CB CYS A 141 -2.903 -4.358 6.461 1.00 0.00 C ATOM 160 SG CYS A 141 -2.042 -5.940 6.189 1.00 0.00 S ATOM 0 H CYS A 141 -4.444 -2.439 6.631 1.00 0.00 H new ATOM 0 HA CYS A 141 -4.869 -5.215 6.312 1.00 0.00 H new ATOM 0 HB2 CYS A 141 -2.906 -3.793 5.529 1.00 0.00 H new ATOM 0 HB3 CYS A 141 -2.341 -3.771 7.187 1.00 0.00 H new ATOM 165 N LYS A 142 -4.599 -6.351 8.510 1.00 0.00 N ATOM 166 CA LYS A 142 -4.633 -6.996 9.816 1.00 0.00 C ATOM 167 C LYS A 142 -3.357 -7.793 10.063 1.00 0.00 C ATOM 168 O LYS A 142 -3.359 -8.769 10.814 1.00 0.00 O ATOM 169 CB LYS A 142 -5.851 -7.918 9.921 1.00 0.00 C ATOM 170 CG LYS A 142 -5.816 -9.084 8.949 1.00 0.00 C ATOM 171 CD LYS A 142 -6.684 -8.820 7.730 1.00 0.00 C ATOM 172 CE LYS A 142 -6.554 -9.934 6.702 1.00 0.00 C ATOM 173 NZ LYS A 142 -7.571 -11.002 6.910 1.00 0.00 N ATOM 0 H LYS A 142 -4.779 -6.978 7.726 1.00 0.00 H new ATOM 0 HA LYS A 142 -4.707 -6.218 10.576 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.917 -8.305 10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.754 -7.335 9.743 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -4.789 -9.265 8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -6.159 -9.988 9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.726 -8.726 8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.399 -7.870 7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -6.663 -9.518 5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.555 -10.367 6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.449 -11.742 6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -7.451 -11.416 7.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -8.524 -10.594 6.829 1.00 0.00 H new ATOM 187 N GLU A 143 -2.268 -7.370 9.428 1.00 0.00 N ATOM 188 CA GLU A 143 -0.985 -8.046 9.580 1.00 0.00 C ATOM 189 C GLU A 143 0.075 -7.087 10.115 1.00 0.00 C ATOM 190 O GLU A 143 0.958 -7.482 10.876 1.00 0.00 O ATOM 191 CB GLU A 143 -0.529 -8.631 8.242 1.00 0.00 C ATOM 192 CG GLU A 143 -1.614 -9.411 7.518 1.00 0.00 C ATOM 193 CD GLU A 143 -2.226 -10.497 8.381 1.00 0.00 C ATOM 194 OE1 GLU A 143 -1.580 -10.905 9.369 1.00 0.00 O ATOM 195 OE2 GLU A 143 -3.351 -10.939 8.068 1.00 0.00 O ATOM 0 H GLU A 143 -2.249 -6.563 8.804 1.00 0.00 H new ATOM 0 HA GLU A 143 -1.114 -8.856 10.298 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -0.185 -7.821 7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 143 0.325 -9.286 8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -2.397 -8.724 7.196 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -1.194 -9.861 6.618 1.00 0.00 H new ATOM 202 N CYS A 144 -0.020 -5.825 9.711 1.00 0.00 N ATOM 203 CA CYS A 144 0.929 -4.808 10.148 1.00 0.00 C ATOM 204 C CYS A 144 0.201 -3.582 10.693 1.00 0.00 C ATOM 205 O CYS A 144 0.642 -2.965 11.661 1.00 0.00 O ATOM 206 CB CYS A 144 1.840 -4.399 8.988 1.00 0.00 C ATOM 207 SG CYS A 144 0.948 -3.834 7.504 1.00 0.00 S ATOM 0 H CYS A 144 -0.745 -5.482 9.081 1.00 0.00 H new ATOM 0 HA CYS A 144 1.536 -5.233 10.947 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.504 -3.603 9.325 1.00 0.00 H new ATOM 0 HB3 CYS A 144 2.470 -5.247 8.719 1.00 0.00 H new ATOM 212 N GLY A 145 -0.917 -3.236 10.063 1.00 0.00 N ATOM 213 CA GLY A 145 -1.689 -2.087 10.498 1.00 0.00 C ATOM 214 C GLY A 145 -1.814 -1.030 9.419 1.00 0.00 C ATOM 215 O GLY A 145 -2.133 0.125 9.704 1.00 0.00 O ATOM 0 H GLY A 145 -1.302 -3.731 9.259 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.684 -2.415 10.798 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -1.218 -1.649 11.378 1.00 0.00 H new ATOM 219 N LYS A 146 -1.563 -1.424 8.175 1.00 0.00 N ATOM 220 CA LYS A 146 -1.649 -0.503 7.048 1.00 0.00 C ATOM 221 C LYS A 146 -3.097 -0.112 6.774 1.00 0.00 C ATOM 222 O LYS A 146 -4.012 -0.556 7.468 1.00 0.00 O ATOM 223 CB LYS A 146 -1.035 -1.137 5.797 1.00 0.00 C ATOM 224 CG LYS A 146 0.248 -0.463 5.341 1.00 0.00 C ATOM 225 CD LYS A 146 0.237 -0.198 3.845 1.00 0.00 C ATOM 226 CE LYS A 146 0.939 1.107 3.504 1.00 0.00 C ATOM 227 NZ LYS A 146 0.762 1.475 2.072 1.00 0.00 N ATOM 0 H LYS A 146 -1.298 -2.376 7.922 1.00 0.00 H new ATOM 0 HA LYS A 146 -1.090 0.397 7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.832 -2.189 5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -1.763 -1.100 4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 146 0.377 0.477 5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.101 -1.093 5.594 1.00 0.00 H new ATOM 0 HD2 LYS A 146 0.726 -1.022 3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.792 -0.162 3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 146 0.548 1.905 4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 146 2.002 1.016 3.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 1.668 1.370 1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 0.053 0.850 1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 0.441 2.462 2.004 1.00 0.00 H new ATOM 241 N SER A 147 -3.299 0.721 5.758 1.00 0.00 N ATOM 242 CA SER A 147 -4.636 1.173 5.394 1.00 0.00 C ATOM 243 C SER A 147 -4.673 1.650 3.945 1.00 0.00 C ATOM 244 O SER A 147 -3.826 2.433 3.515 1.00 0.00 O ATOM 245 CB SER A 147 -5.087 2.300 6.325 1.00 0.00 C ATOM 246 OG SER A 147 -4.537 3.543 5.925 1.00 0.00 O ATOM 0 H SER A 147 -2.553 1.096 5.172 1.00 0.00 H new ATOM 0 HA SER A 147 -5.319 0.330 5.498 1.00 0.00 H new ATOM 0 HB2 SER A 147 -6.175 2.363 6.324 1.00 0.00 H new ATOM 0 HB3 SER A 147 -4.782 2.076 7.347 1.00 0.00 H new ATOM 0 HG SER A 147 -4.842 4.247 6.535 1.00 0.00 H new ATOM 252 N PHE A 148 -5.661 1.171 3.196 1.00 0.00 N ATOM 253 CA PHE A 148 -5.809 1.546 1.795 1.00 0.00 C ATOM 254 C PHE A 148 -7.211 2.083 1.521 1.00 0.00 C ATOM 255 O PHE A 148 -8.123 1.909 2.330 1.00 0.00 O ATOM 256 CB PHE A 148 -5.525 0.345 0.891 1.00 0.00 C ATOM 257 CG PHE A 148 -4.118 -0.169 1.003 1.00 0.00 C ATOM 258 CD1 PHE A 148 -3.771 -1.062 2.004 1.00 0.00 C ATOM 259 CD2 PHE A 148 -3.143 0.239 0.107 1.00 0.00 C ATOM 260 CE1 PHE A 148 -2.477 -1.538 2.110 1.00 0.00 C ATOM 261 CE2 PHE A 148 -1.849 -0.233 0.208 1.00 0.00 C ATOM 262 CZ PHE A 148 -1.515 -1.122 1.211 1.00 0.00 C ATOM 0 H PHE A 148 -6.371 0.522 3.536 1.00 0.00 H new ATOM 0 HA PHE A 148 -5.088 2.334 1.578 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -6.218 -0.459 1.139 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -5.720 0.625 -0.144 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -4.520 -1.390 2.710 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -3.398 0.934 -0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -2.219 -2.234 2.895 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -1.099 0.093 -0.497 1.00 0.00 H new ATOM 0 HZ PHE A 148 -0.503 -1.491 1.292 1.00 0.00 H new ATOM 272 N SER A 149 -7.375 2.736 0.375 1.00 0.00 N ATOM 273 CA SER A 149 -8.664 3.302 -0.005 1.00 0.00 C ATOM 274 C SER A 149 -9.269 2.537 -1.179 1.00 0.00 C ATOM 275 O SER A 149 -10.134 3.051 -1.887 1.00 0.00 O ATOM 276 CB SER A 149 -8.508 4.779 -0.370 1.00 0.00 C ATOM 277 OG SER A 149 -8.330 4.944 -1.766 1.00 0.00 O ATOM 0 H SER A 149 -6.631 2.886 -0.307 1.00 0.00 H new ATOM 0 HA SER A 149 -9.337 3.215 0.848 1.00 0.00 H new ATOM 0 HB2 SER A 149 -9.389 5.332 -0.045 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.654 5.200 0.161 1.00 0.00 H new ATOM 0 HG SER A 149 -9.133 4.637 -2.237 1.00 0.00 H new ATOM 283 N GLN A 150 -8.806 1.307 -1.377 1.00 0.00 N ATOM 284 CA GLN A 150 -9.300 0.472 -2.465 1.00 0.00 C ATOM 285 C GLN A 150 -9.215 -1.006 -2.098 1.00 0.00 C ATOM 286 O GLN A 150 -8.157 -1.499 -1.706 1.00 0.00 O ATOM 287 CB GLN A 150 -8.503 0.739 -3.743 1.00 0.00 C ATOM 288 CG GLN A 150 -8.615 2.170 -4.243 1.00 0.00 C ATOM 289 CD GLN A 150 -10.031 2.541 -4.638 1.00 0.00 C ATOM 290 OE1 GLN A 150 -10.862 1.671 -4.902 1.00 0.00 O ATOM 291 NE2 GLN A 150 -10.314 3.837 -4.681 1.00 0.00 N ATOM 0 H GLN A 150 -8.090 0.867 -0.799 1.00 0.00 H new ATOM 0 HA GLN A 150 -10.346 0.725 -2.638 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.453 0.508 -3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -8.848 0.062 -4.524 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.269 2.851 -3.465 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.956 2.304 -5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -9.595 4.524 -4.454 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -11.251 4.146 -4.941 1.00 0.00 H new ATOM 300 N ARG A 151 -10.336 -1.708 -2.228 1.00 0.00 N ATOM 301 CA ARG A 151 -10.389 -3.129 -1.908 1.00 0.00 C ATOM 302 C ARG A 151 -9.293 -3.893 -2.645 1.00 0.00 C ATOM 303 O ARG A 151 -8.684 -4.811 -2.096 1.00 0.00 O ATOM 304 CB ARG A 151 -11.759 -3.705 -2.272 1.00 0.00 C ATOM 305 CG ARG A 151 -11.882 -5.197 -2.007 1.00 0.00 C ATOM 306 CD ARG A 151 -13.110 -5.514 -1.167 1.00 0.00 C ATOM 307 NE ARG A 151 -13.526 -6.906 -1.309 1.00 0.00 N ATOM 308 CZ ARG A 151 -12.934 -7.917 -0.682 1.00 0.00 C ATOM 309 NH1 ARG A 151 -11.908 -7.691 0.126 1.00 0.00 N ATOM 310 NH2 ARG A 151 -13.370 -9.157 -0.862 1.00 0.00 N ATOM 0 H ARG A 151 -11.220 -1.316 -2.553 1.00 0.00 H new ATOM 0 HA ARG A 151 -10.229 -3.240 -0.836 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -12.527 -3.179 -1.705 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -11.955 -3.514 -3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -11.940 -5.732 -2.955 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -10.988 -5.552 -1.495 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -12.896 -5.305 -0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -13.930 -4.859 -1.462 1.00 0.00 H new ATOM 0 HE ARG A 151 -14.314 -7.114 -1.923 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -11.571 -6.739 0.268 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -11.456 -8.469 0.606 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -14.160 -9.335 -1.482 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -12.915 -9.933 -0.380 1.00 0.00 H new ATOM 324 N GLY A 152 -9.046 -3.508 -3.894 1.00 0.00 N ATOM 325 CA GLY A 152 -8.024 -4.167 -4.685 1.00 0.00 C ATOM 326 C GLY A 152 -6.622 -3.834 -4.215 1.00 0.00 C ATOM 327 O GLY A 152 -5.754 -4.706 -4.165 1.00 0.00 O ATOM 0 H GLY A 152 -9.536 -2.751 -4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -8.173 -5.246 -4.639 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -8.133 -3.875 -5.729 1.00 0.00 H new ATOM 331 N SER A 153 -6.399 -2.570 -3.871 1.00 0.00 N ATOM 332 CA SER A 153 -5.091 -2.123 -3.408 1.00 0.00 C ATOM 333 C SER A 153 -4.675 -2.876 -2.147 1.00 0.00 C ATOM 334 O SER A 153 -3.560 -3.392 -2.058 1.00 0.00 O ATOM 335 CB SER A 153 -5.110 -0.618 -3.133 1.00 0.00 C ATOM 336 OG SER A 153 -5.212 0.119 -4.340 1.00 0.00 O ATOM 0 H SER A 153 -7.108 -1.837 -3.904 1.00 0.00 H new ATOM 0 HA SER A 153 -4.364 -2.333 -4.193 1.00 0.00 H new ATOM 0 HB2 SER A 153 -5.950 -0.374 -2.482 1.00 0.00 H new ATOM 0 HB3 SER A 153 -4.202 -0.330 -2.603 1.00 0.00 H new ATOM 0 HG SER A 153 -5.949 -0.237 -4.879 1.00 0.00 H new ATOM 342 N LEU A 154 -5.578 -2.934 -1.175 1.00 0.00 N ATOM 343 CA LEU A 154 -5.307 -3.624 0.081 1.00 0.00 C ATOM 344 C LEU A 154 -4.884 -5.067 -0.170 1.00 0.00 C ATOM 345 O LEU A 154 -3.882 -5.534 0.371 1.00 0.00 O ATOM 346 CB LEU A 154 -6.544 -3.592 0.981 1.00 0.00 C ATOM 347 CG LEU A 154 -6.569 -4.608 2.123 1.00 0.00 C ATOM 348 CD1 LEU A 154 -5.436 -4.339 3.101 1.00 0.00 C ATOM 349 CD2 LEU A 154 -7.912 -4.574 2.837 1.00 0.00 C ATOM 0 H LEU A 154 -6.505 -2.511 -1.232 1.00 0.00 H new ATOM 0 HA LEU A 154 -4.488 -3.107 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -6.632 -2.593 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.425 -3.752 0.360 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.429 -5.604 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.470 -5.072 3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.481 -4.415 2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.544 -3.337 3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.912 -5.303 3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -8.082 -3.578 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.706 -4.816 2.131 1.00 0.00 H new ATOM 361 N ALA A 155 -5.653 -5.769 -0.997 1.00 0.00 N ATOM 362 CA ALA A 155 -5.355 -7.158 -1.323 1.00 0.00 C ATOM 363 C ALA A 155 -3.908 -7.317 -1.776 1.00 0.00 C ATOM 364 O ALA A 155 -3.190 -8.194 -1.296 1.00 0.00 O ATOM 365 CB ALA A 155 -6.306 -7.662 -2.399 1.00 0.00 C ATOM 0 H ALA A 155 -6.487 -5.398 -1.453 1.00 0.00 H new ATOM 0 HA ALA A 155 -5.493 -7.756 -0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -6.073 -8.701 -2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -7.332 -7.593 -2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -6.195 -7.054 -3.297 1.00 0.00 H new ATOM 371 N VAL A 156 -3.486 -6.464 -2.704 1.00 0.00 N ATOM 372 CA VAL A 156 -2.124 -6.510 -3.222 1.00 0.00 C ATOM 373 C VAL A 156 -1.103 -6.412 -2.094 1.00 0.00 C ATOM 374 O VAL A 156 0.007 -6.935 -2.198 1.00 0.00 O ATOM 375 CB VAL A 156 -1.868 -5.375 -4.231 1.00 0.00 C ATOM 376 CG1 VAL A 156 -0.470 -5.489 -4.820 1.00 0.00 C ATOM 377 CG2 VAL A 156 -2.920 -5.392 -5.330 1.00 0.00 C ATOM 0 H VAL A 156 -4.068 -5.733 -3.112 1.00 0.00 H new ATOM 0 HA VAL A 156 -2.011 -7.469 -3.728 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.939 -4.423 -3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -0.307 -4.679 -5.531 1.00 0.00 H new ATOM 0 HG12 VAL A 156 0.268 -5.424 -4.021 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -0.368 -6.446 -5.331 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -2.724 -4.583 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -2.883 -6.347 -5.854 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.908 -5.258 -4.890 1.00 0.00 H new ATOM 387 N HIS A 157 -1.486 -5.737 -1.014 1.00 0.00 N ATOM 388 CA HIS A 157 -0.604 -5.571 0.136 1.00 0.00 C ATOM 389 C HIS A 157 -0.799 -6.704 1.138 1.00 0.00 C ATOM 390 O HIS A 157 0.042 -6.926 2.009 1.00 0.00 O ATOM 391 CB HIS A 157 -0.864 -4.225 0.813 1.00 0.00 C ATOM 392 CG HIS A 157 -0.168 -4.074 2.131 1.00 0.00 C ATOM 393 ND1 HIS A 157 1.079 -3.501 2.262 1.00 0.00 N ATOM 394 CD2 HIS A 157 -0.553 -4.423 3.381 1.00 0.00 C ATOM 395 CE1 HIS A 157 1.432 -3.506 3.535 1.00 0.00 C ATOM 396 NE2 HIS A 157 0.458 -4.060 4.235 1.00 0.00 N ATOM 0 H HIS A 157 -2.400 -5.297 -0.912 1.00 0.00 H new ATOM 0 HA HIS A 157 0.426 -5.598 -0.219 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -0.542 -3.424 0.147 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -1.937 -4.103 0.962 1.00 0.00 H new ATOM 0 HD1 HIS A 157 1.641 -3.131 1.496 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -1.483 -4.899 3.655 1.00 0.00 H new ATOM 0 HE1 HIS A 157 2.359 -3.123 3.935 1.00 0.00 H new ATOM 404 N GLU A 158 -1.914 -7.417 1.009 1.00 0.00 N ATOM 405 CA GLU A 158 -2.219 -8.526 1.906 1.00 0.00 C ATOM 406 C GLU A 158 -1.699 -9.844 1.337 1.00 0.00 C ATOM 407 O GLU A 158 -1.638 -10.853 2.039 1.00 0.00 O ATOM 408 CB GLU A 158 -3.728 -8.620 2.142 1.00 0.00 C ATOM 409 CG GLU A 158 -4.329 -7.360 2.742 1.00 0.00 C ATOM 410 CD GLU A 158 -5.259 -7.654 3.903 1.00 0.00 C ATOM 411 OE1 GLU A 158 -6.459 -7.894 3.655 1.00 0.00 O ATOM 412 OE2 GLU A 158 -4.787 -7.644 5.059 1.00 0.00 O ATOM 0 H GLU A 158 -2.620 -7.247 0.293 1.00 0.00 H new ATOM 0 HA GLU A 158 -1.721 -8.338 2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.223 -8.833 1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -3.932 -9.461 2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -3.527 -6.705 3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -4.877 -6.820 1.970 1.00 0.00 H new ATOM 419 N ARG A 159 -1.326 -9.825 0.062 1.00 0.00 N ATOM 420 CA ARG A 159 -0.813 -11.017 -0.602 1.00 0.00 C ATOM 421 C ARG A 159 0.712 -10.997 -0.654 1.00 0.00 C ATOM 422 O ARG A 159 1.363 -12.030 -0.490 1.00 0.00 O ATOM 423 CB ARG A 159 -1.381 -11.123 -2.018 1.00 0.00 C ATOM 424 CG ARG A 159 -1.020 -9.944 -2.908 1.00 0.00 C ATOM 425 CD ARG A 159 0.155 -10.272 -3.816 1.00 0.00 C ATOM 426 NE ARG A 159 -0.149 -11.371 -4.729 1.00 0.00 N ATOM 427 CZ ARG A 159 0.778 -12.048 -5.398 1.00 0.00 C ATOM 428 NH1 ARG A 159 2.060 -11.740 -5.257 1.00 0.00 N ATOM 429 NH2 ARG A 159 0.423 -13.035 -6.210 1.00 0.00 N ATOM 0 H ARG A 159 -1.369 -8.997 -0.532 1.00 0.00 H new ATOM 0 HA ARG A 159 -1.128 -11.887 -0.026 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -1.016 -12.041 -2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -2.466 -11.205 -1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -1.883 -9.666 -3.513 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -0.773 -9.081 -2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 159 0.426 -9.387 -4.392 1.00 0.00 H new ATOM 0 HD3 ARG A 159 1.021 -10.535 -3.208 1.00 0.00 H new ATOM 0 HE ARG A 159 -1.126 -11.633 -4.860 1.00 0.00 H new ATOM 0 HH11 ARG A 159 2.337 -10.982 -4.634 1.00 0.00 H new ATOM 0 HH12 ARG A 159 2.769 -12.262 -5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -0.562 -13.275 -6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 159 1.135 -13.554 -6.723 1.00 0.00 H new ATOM 443 N LEU A 160 1.275 -9.817 -0.883 1.00 0.00 N ATOM 444 CA LEU A 160 2.724 -9.662 -0.957 1.00 0.00 C ATOM 445 C LEU A 160 3.363 -9.853 0.414 1.00 0.00 C ATOM 446 O LEU A 160 4.579 -10.007 0.528 1.00 0.00 O ATOM 447 CB LEU A 160 3.081 -8.281 -1.511 1.00 0.00 C ATOM 448 CG LEU A 160 3.573 -7.255 -0.490 1.00 0.00 C ATOM 449 CD1 LEU A 160 4.027 -5.982 -1.189 1.00 0.00 C ATOM 450 CD2 LEU A 160 2.481 -6.948 0.525 1.00 0.00 C ATOM 0 H LEU A 160 0.751 -8.953 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 160 3.113 -10.428 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 160 3.852 -8.405 -2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 160 2.202 -7.874 -2.011 1.00 0.00 H new ATOM 0 HG LEU A 160 4.426 -7.678 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 160 4.374 -5.263 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.840 -6.215 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.193 -5.555 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.848 -6.216 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.609 -6.545 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.203 -7.863 1.048 1.00 0.00 H new ATOM 462 N HIS A 161 2.535 -9.842 1.454 1.00 0.00 N ATOM 463 CA HIS A 161 3.019 -10.017 2.819 1.00 0.00 C ATOM 464 C HIS A 161 3.865 -11.281 2.937 1.00 0.00 C ATOM 465 O HIS A 161 4.919 -11.278 3.574 1.00 0.00 O ATOM 466 CB HIS A 161 1.843 -10.083 3.795 1.00 0.00 C ATOM 467 CG HIS A 161 1.687 -8.849 4.629 1.00 0.00 C ATOM 468 ND1 HIS A 161 2.621 -8.447 5.560 1.00 0.00 N ATOM 469 CD2 HIS A 161 0.699 -7.926 4.667 1.00 0.00 C ATOM 470 CE1 HIS A 161 2.213 -7.331 6.136 1.00 0.00 C ATOM 471 NE2 HIS A 161 1.049 -6.993 5.612 1.00 0.00 N ATOM 0 H HIS A 161 1.526 -9.714 1.378 1.00 0.00 H new ATOM 0 HA HIS A 161 3.642 -9.159 3.070 1.00 0.00 H new ATOM 0 HB2 HIS A 161 0.924 -10.250 3.233 1.00 0.00 H new ATOM 0 HB3 HIS A 161 1.975 -10.942 4.453 1.00 0.00 H new ATOM 0 HD1 HIS A 161 3.491 -8.935 5.771 1.00 0.00 H new ATOM 0 HD2 HIS A 161 -0.198 -7.923 4.066 1.00 0.00 H new ATOM 0 HE1 HIS A 161 2.741 -6.787 6.905 1.00 0.00 H new ATOM 479 N THR A 162 3.397 -12.362 2.320 1.00 0.00 N ATOM 480 CA THR A 162 4.109 -13.632 2.358 1.00 0.00 C ATOM 481 C THR A 162 5.376 -13.578 1.512 1.00 0.00 C ATOM 482 O THR A 162 5.454 -12.826 0.541 1.00 0.00 O ATOM 483 CB THR A 162 3.222 -14.789 1.860 1.00 0.00 C ATOM 484 OG1 THR A 162 3.980 -16.003 1.815 1.00 0.00 O ATOM 485 CG2 THR A 162 2.660 -14.484 0.479 1.00 0.00 C ATOM 0 H THR A 162 2.527 -12.382 1.788 1.00 0.00 H new ATOM 0 HA THR A 162 4.378 -13.812 3.399 1.00 0.00 H new ATOM 0 HB THR A 162 2.391 -14.906 2.555 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.409 -16.734 1.499 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.037 -15.315 0.148 1.00 0.00 H new ATOM 0 HG22 THR A 162 2.060 -13.575 0.523 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.480 -14.343 -0.225 1.00 0.00 H new ATOM 493 N GLY A 163 6.368 -14.381 1.886 1.00 0.00 N ATOM 494 CA GLY A 163 7.618 -14.409 1.150 1.00 0.00 C ATOM 495 C GLY A 163 8.827 -14.456 2.063 1.00 0.00 C ATOM 496 O GLY A 163 8.705 -14.751 3.251 1.00 0.00 O ATOM 0 H GLY A 163 6.328 -15.013 2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 163 7.629 -15.278 0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 163 7.681 -13.526 0.513 1.00 0.00 H new ATOM 500 N SER A 164 9.999 -14.165 1.506 1.00 0.00 N ATOM 501 CA SER A 164 11.236 -14.181 2.276 1.00 0.00 C ATOM 502 C SER A 164 11.542 -12.797 2.841 1.00 0.00 C ATOM 503 O SER A 164 11.775 -11.847 2.095 1.00 0.00 O ATOM 504 CB SER A 164 12.400 -14.656 1.403 1.00 0.00 C ATOM 505 OG SER A 164 13.417 -15.253 2.190 1.00 0.00 O ATOM 0 H SER A 164 10.117 -13.915 0.524 1.00 0.00 H new ATOM 0 HA SER A 164 11.108 -14.874 3.107 1.00 0.00 H new ATOM 0 HB2 SER A 164 12.037 -15.373 0.667 1.00 0.00 H new ATOM 0 HB3 SER A 164 12.812 -13.812 0.850 1.00 0.00 H new ATOM 0 HG SER A 164 14.148 -15.550 1.609 1.00 0.00 H new ATOM 511 N GLY A 165 11.539 -12.692 4.166 1.00 0.00 N ATOM 512 CA GLY A 165 11.817 -11.421 4.810 1.00 0.00 C ATOM 513 C GLY A 165 11.902 -11.542 6.319 1.00 0.00 C ATOM 514 O GLY A 165 11.596 -12.584 6.898 1.00 0.00 O ATOM 0 H GLY A 165 11.349 -13.464 4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 165 12.756 -11.021 4.427 1.00 0.00 H new ATOM 0 HA3 GLY A 165 11.036 -10.707 4.549 1.00 0.00 H new ATOM 518 N PRO A 166 12.328 -10.455 6.980 1.00 0.00 N ATOM 519 CA PRO A 166 12.463 -10.420 8.440 1.00 0.00 C ATOM 520 C PRO A 166 11.113 -10.442 9.148 1.00 0.00 C ATOM 521 O PRO A 166 10.074 -10.642 8.518 1.00 0.00 O ATOM 522 CB PRO A 166 13.180 -9.092 8.697 1.00 0.00 C ATOM 523 CG PRO A 166 12.834 -8.241 7.524 1.00 0.00 C ATOM 524 CD PRO A 166 12.710 -9.178 6.355 1.00 0.00 C ATOM 0 HA PRO A 166 12.997 -11.290 8.821 1.00 0.00 H new ATOM 0 HB2 PRO A 166 12.846 -8.636 9.629 1.00 0.00 H new ATOM 0 HB3 PRO A 166 14.258 -9.233 8.779 1.00 0.00 H new ATOM 0 HG2 PRO A 166 11.901 -7.703 7.694 1.00 0.00 H new ATOM 0 HG3 PRO A 166 13.605 -7.492 7.344 1.00 0.00 H new ATOM 0 HD2 PRO A 166 11.957 -8.837 5.645 1.00 0.00 H new ATOM 0 HD3 PRO A 166 13.649 -9.264 5.807 1.00 0.00 H new ATOM 532 N SER A 167 11.134 -10.234 10.460 1.00 0.00 N ATOM 533 CA SER A 167 9.911 -10.234 11.255 1.00 0.00 C ATOM 534 C SER A 167 8.893 -9.251 10.684 1.00 0.00 C ATOM 535 O SER A 167 7.713 -9.573 10.547 1.00 0.00 O ATOM 536 CB SER A 167 10.223 -9.876 12.709 1.00 0.00 C ATOM 537 OG SER A 167 10.157 -11.021 13.541 1.00 0.00 O ATOM 0 H SER A 167 11.985 -10.063 10.996 1.00 0.00 H new ATOM 0 HA SER A 167 9.483 -11.236 11.219 1.00 0.00 H new ATOM 0 HB2 SER A 167 11.217 -9.433 12.773 1.00 0.00 H new ATOM 0 HB3 SER A 167 9.516 -9.125 13.062 1.00 0.00 H new ATOM 0 HG SER A 167 10.362 -10.766 14.465 1.00 0.00 H new ATOM 543 N SER A 168 9.360 -8.051 10.353 1.00 0.00 N ATOM 544 CA SER A 168 8.490 -7.019 9.801 1.00 0.00 C ATOM 545 C SER A 168 9.058 -6.473 8.494 1.00 0.00 C ATOM 546 O SER A 168 9.718 -5.435 8.476 1.00 0.00 O ATOM 547 CB SER A 168 8.312 -5.881 10.807 1.00 0.00 C ATOM 548 OG SER A 168 8.281 -6.374 12.135 1.00 0.00 O ATOM 0 H SER A 168 10.335 -7.770 10.457 1.00 0.00 H new ATOM 0 HA SER A 168 7.518 -7.468 9.596 1.00 0.00 H new ATOM 0 HB2 SER A 168 9.128 -5.166 10.700 1.00 0.00 H new ATOM 0 HB3 SER A 168 7.388 -5.344 10.594 1.00 0.00 H new ATOM 0 HG SER A 168 8.168 -5.627 12.759 1.00 0.00 H new ATOM 554 N GLY A 169 8.795 -7.182 7.400 1.00 0.00 N ATOM 555 CA GLY A 169 9.286 -6.755 6.103 1.00 0.00 C ATOM 556 C GLY A 169 8.355 -5.767 5.428 1.00 0.00 C ATOM 557 O GLY A 169 8.387 -4.585 5.767 1.00 0.00 O ATOM 0 H GLY A 169 8.251 -8.044 7.389 1.00 0.00 H new ATOM 0 HA2 GLY A 169 10.269 -6.300 6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 169 9.413 -7.627 5.461 1.00 0.00 H new TER 561 GLY A 169 HETATM 562 ZN ZN A 201 0.222 -5.218 5.974 1.00 0.00 ZN