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+ -113:sc= 1.07 (180deg=0) USER MOD Set 1.2: A 147 SER OG : rot 180:sc= 0.321 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 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.401 USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=-0.29) 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 180:sc=-0.00421 USER MOD Single : A 150 GLN : amide:sc= -1.29 K(o=-1.3,f=-3) USER MOD Single : A 153 SER OG : rot 180:sc= -0.385 USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 164 SER OG : rot -55:sc= 1.04 USER MOD Single : A 167 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 129 7.422 15.986 13.526 1.00 0.00 N ATOM 2 CA GLY A 129 7.201 17.081 12.600 1.00 0.00 C ATOM 3 C GLY A 129 6.074 16.799 11.626 1.00 0.00 C ATOM 4 O GLY A 129 5.037 16.257 12.008 1.00 0.00 O ATOM 0 HA2 GLY A 129 6.973 17.987 13.161 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.118 17.273 12.044 1.00 0.00 H new ATOM 8 N SER A 130 6.276 17.169 10.366 1.00 0.00 N ATOM 9 CA SER A 130 5.266 16.958 9.336 1.00 0.00 C ATOM 10 C SER A 130 5.092 15.471 9.042 1.00 0.00 C ATOM 11 O SER A 130 5.927 14.856 8.379 1.00 0.00 O ATOM 12 CB SER A 130 5.650 17.701 8.055 1.00 0.00 C ATOM 13 OG SER A 130 4.509 17.969 7.259 1.00 0.00 O ATOM 0 H SER A 130 7.130 17.617 10.034 1.00 0.00 H new ATOM 0 HA SER A 130 4.319 17.351 9.705 1.00 0.00 H new ATOM 0 HB2 SER A 130 6.148 18.637 8.309 1.00 0.00 H new ATOM 0 HB3 SER A 130 6.363 17.105 7.485 1.00 0.00 H new ATOM 0 HG SER A 130 4.781 18.446 6.447 1.00 0.00 H new ATOM 19 N SER A 131 4.001 14.899 9.542 1.00 0.00 N ATOM 20 CA SER A 131 3.718 13.483 9.338 1.00 0.00 C ATOM 21 C SER A 131 2.441 13.296 8.524 1.00 0.00 C ATOM 22 O SER A 131 2.339 12.380 7.709 1.00 0.00 O ATOM 23 CB SER A 131 3.589 12.768 10.684 1.00 0.00 C ATOM 24 OG SER A 131 2.587 11.767 10.635 1.00 0.00 O ATOM 0 H SER A 131 3.299 15.394 10.091 1.00 0.00 H new ATOM 0 HA SER A 131 4.549 13.048 8.782 1.00 0.00 H new ATOM 0 HB2 SER A 131 4.544 12.318 10.953 1.00 0.00 H new ATOM 0 HB3 SER A 131 3.347 13.492 11.462 1.00 0.00 H new ATOM 0 HG SER A 131 2.525 11.323 11.507 1.00 0.00 H new ATOM 30 N GLY A 132 1.468 14.173 8.753 1.00 0.00 N ATOM 31 CA GLY A 132 0.209 14.088 8.035 1.00 0.00 C ATOM 32 C GLY A 132 -0.626 12.900 8.468 1.00 0.00 C ATOM 33 O GLY A 132 -0.710 12.592 9.657 1.00 0.00 O ATOM 0 H GLY A 132 1.529 14.940 9.422 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -0.359 15.005 8.194 1.00 0.00 H new ATOM 0 HA3 GLY A 132 0.408 14.018 6.966 1.00 0.00 H new ATOM 37 N SER A 133 -1.248 12.231 7.502 1.00 0.00 N ATOM 38 CA SER A 133 -2.086 11.074 7.790 1.00 0.00 C ATOM 39 C SER A 133 -3.227 11.449 8.730 1.00 0.00 C ATOM 40 O SER A 133 -3.236 11.063 9.899 1.00 0.00 O ATOM 41 CB SER A 133 -1.249 9.952 8.408 1.00 0.00 C ATOM 42 OG SER A 133 -0.098 9.685 7.626 1.00 0.00 O ATOM 0 H SER A 133 -1.187 12.471 6.513 1.00 0.00 H new ATOM 0 HA SER A 133 -2.513 10.724 6.850 1.00 0.00 H new ATOM 0 HB2 SER A 133 -0.949 10.231 9.418 1.00 0.00 H new ATOM 0 HB3 SER A 133 -1.852 9.048 8.493 1.00 0.00 H new ATOM 0 HG SER A 133 0.421 8.966 8.043 1.00 0.00 H new ATOM 48 N SER A 134 -4.188 12.206 8.211 1.00 0.00 N ATOM 49 CA SER A 134 -5.333 12.639 9.004 1.00 0.00 C ATOM 50 C SER A 134 -6.630 12.061 8.446 1.00 0.00 C ATOM 51 O SER A 134 -7.119 12.495 7.404 1.00 0.00 O ATOM 52 CB SER A 134 -5.413 14.166 9.032 1.00 0.00 C ATOM 53 OG SER A 134 -6.663 14.603 9.538 1.00 0.00 O ATOM 0 H SER A 134 -4.197 12.532 7.245 1.00 0.00 H new ATOM 0 HA SER A 134 -5.199 12.271 10.021 1.00 0.00 H new ATOM 0 HB2 SER A 134 -4.608 14.564 9.650 1.00 0.00 H new ATOM 0 HB3 SER A 134 -5.267 14.559 8.026 1.00 0.00 H new ATOM 0 HG SER A 134 -6.688 15.583 9.547 1.00 0.00 H new ATOM 59 N GLY A 135 -7.182 11.076 9.149 1.00 0.00 N ATOM 60 CA GLY A 135 -8.417 10.454 8.709 1.00 0.00 C ATOM 61 C GLY A 135 -8.318 8.942 8.659 1.00 0.00 C ATOM 62 O GLY A 135 -7.221 8.386 8.656 1.00 0.00 O ATOM 0 H GLY A 135 -6.796 10.698 10.014 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -9.225 10.740 9.383 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -8.678 10.831 7.720 1.00 0.00 H new ATOM 66 N GLU A 136 -9.468 8.276 8.620 1.00 0.00 N ATOM 67 CA GLU A 136 -9.505 6.819 8.572 1.00 0.00 C ATOM 68 C GLU A 136 -9.799 6.328 7.157 1.00 0.00 C ATOM 69 O GLU A 136 -10.278 7.085 6.312 1.00 0.00 O ATOM 70 CB GLU A 136 -10.561 6.281 9.540 1.00 0.00 C ATOM 71 CG GLU A 136 -10.019 5.981 10.927 1.00 0.00 C ATOM 72 CD GLU A 136 -9.222 4.692 10.976 1.00 0.00 C ATOM 73 OE1 GLU A 136 -9.136 4.009 9.934 1.00 0.00 O ATOM 74 OE2 GLU A 136 -8.685 4.367 12.055 1.00 0.00 O ATOM 0 H GLU A 136 -10.385 8.722 8.621 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.525 6.447 8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.369 7.008 9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -10.993 5.371 9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -9.387 6.807 11.252 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -10.849 5.918 11.631 1.00 0.00 H new ATOM 81 N LYS A 137 -9.509 5.056 6.906 1.00 0.00 N ATOM 82 CA LYS A 137 -9.742 4.462 5.595 1.00 0.00 C ATOM 83 C LYS A 137 -10.729 3.303 5.691 1.00 0.00 C ATOM 84 O LYS A 137 -10.896 2.684 6.741 1.00 0.00 O ATOM 85 CB LYS A 137 -8.422 3.974 4.992 1.00 0.00 C ATOM 86 CG LYS A 137 -7.502 5.099 4.551 1.00 0.00 C ATOM 87 CD LYS A 137 -6.464 4.612 3.554 1.00 0.00 C ATOM 88 CE LYS A 137 -5.476 5.712 3.196 1.00 0.00 C ATOM 89 NZ LYS A 137 -4.342 5.773 4.160 1.00 0.00 N ATOM 0 H LYS A 137 -9.112 4.416 7.594 1.00 0.00 H new ATOM 0 HA LYS A 137 -10.169 5.227 4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -7.903 3.358 5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -8.638 3.335 4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -8.092 5.898 4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.001 5.523 5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.927 3.761 3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.962 4.261 2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -5.090 5.541 2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.991 6.672 3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -4.391 6.662 4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -4.400 4.968 4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -3.442 5.732 3.640 1.00 0.00 H new ATOM 103 N PRO A 138 -11.398 3.001 4.568 1.00 0.00 N ATOM 104 CA PRO A 138 -12.379 1.913 4.500 1.00 0.00 C ATOM 105 C PRO A 138 -11.727 0.538 4.598 1.00 0.00 C ATOM 106 O PRO A 138 -12.405 -0.467 4.810 1.00 0.00 O ATOM 107 CB PRO A 138 -13.023 2.103 3.125 1.00 0.00 C ATOM 108 CG PRO A 138 -11.992 2.812 2.317 1.00 0.00 C ATOM 109 CD PRO A 138 -11.249 3.698 3.280 1.00 0.00 C ATOM 0 HA PRO A 138 -13.088 1.950 5.327 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -13.288 1.146 2.676 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -13.941 2.687 3.195 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -11.316 2.103 1.838 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -12.454 3.399 1.523 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -10.201 3.806 3.000 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -11.675 4.701 3.314 1.00 0.00 H new ATOM 117 N TYR A 139 -10.408 0.502 4.443 1.00 0.00 N ATOM 118 CA TYR A 139 -9.665 -0.751 4.512 1.00 0.00 C ATOM 119 C TYR A 139 -8.470 -0.624 5.453 1.00 0.00 C ATOM 120 O TYR A 139 -7.896 0.454 5.602 1.00 0.00 O ATOM 121 CB TYR A 139 -9.190 -1.164 3.118 1.00 0.00 C ATOM 122 CG TYR A 139 -10.289 -1.168 2.080 1.00 0.00 C ATOM 123 CD1 TYR A 139 -11.252 -2.170 2.063 1.00 0.00 C ATOM 124 CD2 TYR A 139 -10.365 -0.170 1.117 1.00 0.00 C ATOM 125 CE1 TYR A 139 -12.258 -2.178 1.116 1.00 0.00 C ATOM 126 CE2 TYR A 139 -11.368 -0.169 0.167 1.00 0.00 C ATOM 127 CZ TYR A 139 -12.312 -1.175 0.171 1.00 0.00 C ATOM 128 OH TYR A 139 -13.313 -1.179 -0.774 1.00 0.00 O ATOM 0 H TYR A 139 -9.832 1.325 4.269 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.332 -1.519 4.903 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.401 -0.485 2.796 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -8.751 -2.160 3.173 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.213 -2.956 2.803 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.627 0.619 1.111 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -12.998 -2.965 1.116 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -11.413 0.615 -0.575 1.00 0.00 H new ATOM 0 HH TYR A 139 -13.209 -0.404 -1.364 1.00 0.00 H new ATOM 138 N GLN A 140 -8.102 -1.734 6.083 1.00 0.00 N ATOM 139 CA GLN A 140 -6.975 -1.748 7.009 1.00 0.00 C ATOM 140 C GLN A 140 -6.368 -3.144 7.107 1.00 0.00 C ATOM 141 O GLN A 140 -7.074 -4.124 7.346 1.00 0.00 O ATOM 142 CB GLN A 140 -7.420 -1.274 8.394 1.00 0.00 C ATOM 143 CG GLN A 140 -6.291 -1.224 9.411 1.00 0.00 C ATOM 144 CD GLN A 140 -6.795 -1.198 10.841 1.00 0.00 C ATOM 145 OE1 GLN A 140 -7.890 -0.707 11.116 1.00 0.00 O ATOM 146 NE2 GLN A 140 -5.996 -1.729 11.760 1.00 0.00 N ATOM 0 H GLN A 140 -8.567 -2.635 5.970 1.00 0.00 H new ATOM 0 HA GLN A 140 -6.214 -1.067 6.627 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -7.862 -0.282 8.305 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -8.201 -1.939 8.763 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.644 -2.091 9.273 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -5.681 -0.339 9.228 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -5.097 -2.125 11.487 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.282 -1.741 12.739 1.00 0.00 H new ATOM 155 N CYS A 141 -5.055 -3.227 6.920 1.00 0.00 N ATOM 156 CA CYS A 141 -4.352 -4.503 6.987 1.00 0.00 C ATOM 157 C CYS A 141 -4.347 -5.048 8.412 1.00 0.00 C ATOM 158 O CYS A 141 -4.129 -4.308 9.371 1.00 0.00 O ATOM 159 CB CYS A 141 -2.915 -4.344 6.485 1.00 0.00 C ATOM 160 SG CYS A 141 -2.046 -5.920 6.207 1.00 0.00 S ATOM 0 H CYS A 141 -4.456 -2.426 6.721 1.00 0.00 H new ATOM 0 HA CYS A 141 -4.877 -5.213 6.348 1.00 0.00 H new ATOM 0 HB2 CYS A 141 -2.928 -3.779 5.553 1.00 0.00 H new ATOM 0 HB3 CYS A 141 -2.352 -3.754 7.208 1.00 0.00 H new ATOM 165 N LYS A 142 -4.590 -6.348 8.543 1.00 0.00 N ATOM 166 CA LYS A 142 -4.612 -6.994 9.850 1.00 0.00 C ATOM 167 C LYS A 142 -3.333 -7.790 10.085 1.00 0.00 C ATOM 168 O LYS A 142 -3.328 -8.767 10.834 1.00 0.00 O ATOM 169 CB LYS A 142 -5.828 -7.917 9.964 1.00 0.00 C ATOM 170 CG LYS A 142 -5.799 -9.084 8.992 1.00 0.00 C ATOM 171 CD LYS A 142 -6.676 -8.821 7.779 1.00 0.00 C ATOM 172 CE LYS A 142 -6.559 -9.939 6.754 1.00 0.00 C ATOM 173 NZ LYS A 142 -7.366 -11.130 7.139 1.00 0.00 N ATOM 0 H LYS A 142 -4.774 -6.975 7.760 1.00 0.00 H new ATOM 0 HA LYS A 142 -4.680 -6.217 10.611 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.886 -8.304 10.981 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.733 -7.334 9.792 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -4.774 -9.264 8.669 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -6.137 -9.988 9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.715 -8.722 8.094 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.390 -7.874 7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -6.889 -9.576 5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.513 -10.227 6.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.260 -11.870 6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -7.035 -11.492 8.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -8.368 -10.861 7.215 1.00 0.00 H new ATOM 187 N GLU A 143 -2.250 -7.365 9.442 1.00 0.00 N ATOM 188 CA GLU A 143 -0.964 -8.039 9.583 1.00 0.00 C ATOM 189 C GLU A 143 0.098 -7.079 10.111 1.00 0.00 C ATOM 190 O GLU A 143 0.989 -7.474 10.864 1.00 0.00 O ATOM 191 CB GLU A 143 -0.519 -8.622 8.240 1.00 0.00 C ATOM 192 CG GLU A 143 -1.613 -9.387 7.516 1.00 0.00 C ATOM 193 CD GLU A 143 -2.224 -10.481 8.371 1.00 0.00 C ATOM 194 OE1 GLU A 143 -1.583 -10.889 9.361 1.00 0.00 O ATOM 195 OE2 GLU A 143 -3.345 -10.927 8.049 1.00 0.00 O ATOM 0 H GLU A 143 -2.237 -6.558 8.819 1.00 0.00 H new ATOM 0 HA GLU A 143 -1.084 -8.850 10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -0.169 -7.812 7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 143 0.329 -9.287 8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -2.395 -8.692 7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -1.203 -9.828 6.607 1.00 0.00 H new ATOM 202 N CYS A 144 -0.002 -5.816 9.710 1.00 0.00 N ATOM 203 CA CYS A 144 0.949 -4.799 10.140 1.00 0.00 C ATOM 204 C CYS A 144 0.224 -3.575 10.692 1.00 0.00 C ATOM 205 O CYS A 144 0.670 -2.960 11.660 1.00 0.00 O ATOM 206 CB CYS A 144 1.851 -4.389 8.975 1.00 0.00 C ATOM 207 SG CYS A 144 0.947 -3.829 7.496 1.00 0.00 S ATOM 0 H CYS A 144 -0.733 -5.473 9.087 1.00 0.00 H new ATOM 0 HA CYS A 144 1.563 -5.224 10.934 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.514 -3.590 9.307 1.00 0.00 H new ATOM 0 HB3 CYS A 144 2.482 -5.235 8.703 1.00 0.00 H new ATOM 212 N GLY A 145 -0.897 -3.227 10.068 1.00 0.00 N ATOM 213 CA GLY A 145 -1.666 -2.078 10.510 1.00 0.00 C ATOM 214 C GLY A 145 -1.798 -1.019 9.433 1.00 0.00 C ATOM 215 O GLY A 145 -2.113 0.135 9.721 1.00 0.00 O ATOM 0 H GLY A 145 -1.286 -3.720 9.264 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.659 -2.406 10.817 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -1.189 -1.642 11.388 1.00 0.00 H new ATOM 219 N LYS A 146 -1.555 -1.412 8.187 1.00 0.00 N ATOM 220 CA LYS A 146 -1.647 -0.489 7.062 1.00 0.00 C ATOM 221 C LYS A 146 -3.102 -0.161 6.745 1.00 0.00 C ATOM 222 O LYS A 146 -4.019 -0.717 7.350 1.00 0.00 O ATOM 223 CB LYS A 146 -0.968 -1.088 5.828 1.00 0.00 C ATOM 224 CG LYS A 146 0.303 -0.362 5.421 1.00 0.00 C ATOM 225 CD LYS A 146 0.374 -0.164 3.916 1.00 0.00 C ATOM 226 CE LYS A 146 0.984 1.183 3.559 1.00 0.00 C ATOM 227 NZ LYS A 146 0.016 2.298 3.753 1.00 0.00 N ATOM 0 H LYS A 146 -1.293 -2.364 7.931 1.00 0.00 H new ATOM 0 HA LYS A 146 -1.137 0.434 7.339 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 -1.071 4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 146 0.345 0.607 5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.171 -0.930 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 146 0.967 -0.963 3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.627 -0.235 3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 146 1.867 1.357 4.175 1.00 0.00 H new ATOM 0 HE3 LYS A 146 1.317 1.167 2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 0.469 3.199 3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -0.815 2.146 3.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -0.283 2.329 4.749 1.00 0.00 H new ATOM 241 N SER A 147 -3.307 0.745 5.794 1.00 0.00 N ATOM 242 CA SER A 147 -4.651 1.148 5.399 1.00 0.00 C ATOM 243 C SER A 147 -4.674 1.615 3.947 1.00 0.00 C ATOM 244 O SER A 147 -3.800 2.365 3.510 1.00 0.00 O ATOM 245 CB SER A 147 -5.161 2.264 6.313 1.00 0.00 C ATOM 246 OG SER A 147 -4.671 3.527 5.898 1.00 0.00 O ATOM 0 H SER A 147 -2.559 1.214 5.283 1.00 0.00 H new ATOM 0 HA SER A 147 -5.306 0.282 5.494 1.00 0.00 H new ATOM 0 HB2 SER A 147 -6.251 2.274 6.307 1.00 0.00 H new ATOM 0 HB3 SER A 147 -4.849 2.069 7.339 1.00 0.00 H new ATOM 0 HG SER A 147 -5.013 4.223 6.497 1.00 0.00 H new ATOM 252 N PHE A 148 -5.679 1.167 3.203 1.00 0.00 N ATOM 253 CA PHE A 148 -5.817 1.537 1.799 1.00 0.00 C ATOM 254 C PHE A 148 -7.215 2.075 1.513 1.00 0.00 C ATOM 255 O PHE A 148 -8.136 1.897 2.310 1.00 0.00 O ATOM 256 CB PHE A 148 -5.528 0.332 0.901 1.00 0.00 C ATOM 257 CG PHE A 148 -4.123 -0.183 1.023 1.00 0.00 C ATOM 258 CD1 PHE A 148 -3.763 -1.012 2.073 1.00 0.00 C ATOM 259 CD2 PHE A 148 -3.161 0.161 0.086 1.00 0.00 C ATOM 260 CE1 PHE A 148 -2.470 -1.487 2.188 1.00 0.00 C ATOM 261 CE2 PHE A 148 -1.867 -0.311 0.195 1.00 0.00 C ATOM 262 CZ PHE A 148 -1.521 -1.137 1.247 1.00 0.00 C ATOM 0 H PHE A 148 -6.411 0.546 3.549 1.00 0.00 H new ATOM 0 HA PHE A 148 -5.094 2.323 1.584 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -6.223 -0.470 1.148 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -5.716 0.609 -0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -4.501 -1.290 2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -3.426 0.806 -0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -2.202 -2.131 3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -1.127 -0.035 -0.541 1.00 0.00 H new ATOM 0 HZ PHE A 148 -0.511 -1.508 1.334 1.00 0.00 H new ATOM 272 N SER A 149 -7.366 2.736 0.369 1.00 0.00 N ATOM 273 CA SER A 149 -8.651 3.304 -0.021 1.00 0.00 C ATOM 274 C SER A 149 -9.242 2.548 -1.207 1.00 0.00 C ATOM 275 O SER A 149 -10.079 3.077 -1.938 1.00 0.00 O ATOM 276 CB SER A 149 -8.491 4.784 -0.374 1.00 0.00 C ATOM 277 OG SER A 149 -8.111 4.948 -1.730 1.00 0.00 O ATOM 0 H SER A 149 -6.615 2.891 -0.303 1.00 0.00 H new ATOM 0 HA SER A 149 -9.334 3.210 0.824 1.00 0.00 H new ATOM 0 HB2 SER A 149 -9.429 5.308 -0.190 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.741 5.236 0.274 1.00 0.00 H new ATOM 0 HG SER A 149 -8.017 5.903 -1.930 1.00 0.00 H new ATOM 283 N GLN A 150 -8.799 1.309 -1.391 1.00 0.00 N ATOM 284 CA GLN A 150 -9.283 0.480 -2.488 1.00 0.00 C ATOM 285 C GLN A 150 -9.207 -1.000 -2.127 1.00 0.00 C ATOM 286 O GLN A 150 -8.151 -1.500 -1.739 1.00 0.00 O ATOM 287 CB GLN A 150 -8.472 0.750 -3.756 1.00 0.00 C ATOM 288 CG GLN A 150 -8.613 2.171 -4.278 1.00 0.00 C ATOM 289 CD GLN A 150 -10.036 2.507 -4.679 1.00 0.00 C ATOM 290 OE1 GLN A 150 -10.883 1.622 -4.805 1.00 0.00 O ATOM 291 NE2 GLN A 150 -10.307 3.791 -4.882 1.00 0.00 N ATOM 0 H GLN A 150 -8.106 0.857 -0.795 1.00 0.00 H new ATOM 0 HA GLN A 150 -10.326 0.737 -2.671 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.420 0.549 -3.554 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -8.786 0.053 -4.533 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.281 2.870 -3.511 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.956 2.305 -5.137 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -9.575 4.491 -4.766 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -11.248 4.077 -5.154 1.00 0.00 H new ATOM 300 N ARG A 151 -10.332 -1.695 -2.258 1.00 0.00 N ATOM 301 CA ARG A 151 -10.392 -3.118 -1.944 1.00 0.00 C ATOM 302 C ARG A 151 -9.292 -3.882 -2.674 1.00 0.00 C ATOM 303 O ARG A 151 -8.692 -4.804 -2.122 1.00 0.00 O ATOM 304 CB ARG A 151 -11.761 -3.687 -2.322 1.00 0.00 C ATOM 305 CG ARG A 151 -11.880 -5.185 -2.095 1.00 0.00 C ATOM 306 CD ARG A 151 -13.105 -5.526 -1.261 1.00 0.00 C ATOM 307 NE ARG A 151 -13.263 -6.967 -1.083 1.00 0.00 N ATOM 308 CZ ARG A 151 -13.696 -7.782 -2.038 1.00 0.00 C ATOM 309 NH1 ARG A 151 -14.013 -7.301 -3.232 1.00 0.00 N ATOM 310 NH2 ARG A 151 -13.813 -9.083 -1.800 1.00 0.00 N ATOM 0 H ARG A 151 -11.214 -1.296 -2.579 1.00 0.00 H new ATOM 0 HA ARG A 151 -10.241 -3.235 -0.871 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -12.530 -3.178 -1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -11.958 -3.470 -3.372 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -11.939 -5.696 -3.056 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -10.984 -5.551 -1.594 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -13.024 -5.047 -0.285 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -13.995 -5.121 -1.742 1.00 0.00 H new ATOM 0 HE ARG A 151 -13.028 -7.369 -0.176 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -13.925 -6.302 -3.419 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -14.345 -7.930 -3.963 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -13.570 -9.458 -0.883 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -14.146 -9.708 -2.534 1.00 0.00 H new ATOM 324 N GLY A 152 -9.032 -3.493 -3.918 1.00 0.00 N ATOM 325 CA GLY A 152 -8.005 -4.153 -4.703 1.00 0.00 C ATOM 326 C GLY A 152 -6.606 -3.819 -4.225 1.00 0.00 C ATOM 327 O GLY A 152 -5.729 -4.683 -4.198 1.00 0.00 O ATOM 0 H GLY A 152 -9.514 -2.732 -4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -8.154 -5.232 -4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -8.108 -3.862 -5.748 1.00 0.00 H new ATOM 331 N SER A 153 -6.396 -2.562 -3.847 1.00 0.00 N ATOM 332 CA SER A 153 -5.091 -2.115 -3.373 1.00 0.00 C ATOM 333 C SER A 153 -4.677 -2.880 -2.120 1.00 0.00 C ATOM 334 O SER A 153 -3.570 -3.414 -2.041 1.00 0.00 O ATOM 335 CB SER A 153 -5.119 -0.613 -3.082 1.00 0.00 C ATOM 336 OG SER A 153 -5.232 0.137 -4.279 1.00 0.00 O ATOM 0 H SER A 153 -7.112 -1.836 -3.860 1.00 0.00 H new ATOM 0 HA SER A 153 -4.359 -2.313 -4.156 1.00 0.00 H new ATOM 0 HB2 SER A 153 -5.957 -0.383 -2.424 1.00 0.00 H new ATOM 0 HB3 SER A 153 -4.210 -0.325 -2.553 1.00 0.00 H new ATOM 0 HG SER A 153 -5.249 1.093 -4.065 1.00 0.00 H new ATOM 342 N LEU A 154 -5.574 -2.928 -1.141 1.00 0.00 N ATOM 343 CA LEU A 154 -5.304 -3.628 0.111 1.00 0.00 C ATOM 344 C LEU A 154 -4.886 -5.071 -0.151 1.00 0.00 C ATOM 345 O LEU A 154 -3.883 -5.543 0.382 1.00 0.00 O ATOM 346 CB LEU A 154 -6.540 -3.598 1.011 1.00 0.00 C ATOM 347 CG LEU A 154 -6.568 -4.622 2.147 1.00 0.00 C ATOM 348 CD1 LEU A 154 -5.433 -4.364 3.126 1.00 0.00 C ATOM 349 CD2 LEU A 154 -7.910 -4.588 2.863 1.00 0.00 C ATOM 0 H LEU A 154 -6.494 -2.491 -1.190 1.00 0.00 H new ATOM 0 HA LEU A 154 -4.483 -3.118 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -6.625 -2.602 1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.422 -3.751 0.389 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.433 -5.615 1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.469 -5.102 3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.479 -4.440 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.537 -3.365 3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.912 -5.323 3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -8.075 -3.594 3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.706 -4.823 2.156 1.00 0.00 H new ATOM 361 N ALA A 155 -5.662 -5.765 -0.978 1.00 0.00 N ATOM 362 CA ALA A 155 -5.370 -7.153 -1.314 1.00 0.00 C ATOM 363 C ALA A 155 -3.924 -7.314 -1.773 1.00 0.00 C ATOM 364 O ALA A 155 -3.206 -8.194 -1.298 1.00 0.00 O ATOM 365 CB ALA A 155 -6.325 -7.648 -2.390 1.00 0.00 C ATOM 0 H ALA A 155 -6.497 -5.389 -1.427 1.00 0.00 H new ATOM 0 HA ALA A 155 -5.508 -7.755 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -6.095 -8.686 -2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -7.350 -7.578 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -6.215 -7.035 -3.284 1.00 0.00 H new ATOM 371 N VAL A 156 -3.504 -6.460 -2.700 1.00 0.00 N ATOM 372 CA VAL A 156 -2.144 -6.508 -3.223 1.00 0.00 C ATOM 373 C VAL A 156 -1.119 -6.412 -2.099 1.00 0.00 C ATOM 374 O VAL A 156 -0.009 -6.935 -2.209 1.00 0.00 O ATOM 375 CB VAL A 156 -1.890 -5.372 -4.232 1.00 0.00 C ATOM 376 CG1 VAL A 156 -0.512 -5.513 -4.861 1.00 0.00 C ATOM 377 CG2 VAL A 156 -2.973 -5.356 -5.300 1.00 0.00 C ATOM 0 H VAL A 156 -4.086 -5.726 -3.105 1.00 0.00 H new ATOM 0 HA VAL A 156 -2.034 -7.466 -3.730 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.924 -4.422 -3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -0.351 -4.702 -5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 156 0.250 -5.470 -4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -0.446 -6.469 -5.381 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -2.778 -4.547 -6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -2.974 -6.308 -5.831 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.945 -5.202 -4.831 1.00 0.00 H new ATOM 387 N HIS A 157 -1.498 -5.741 -1.015 1.00 0.00 N ATOM 388 CA HIS A 157 -0.612 -5.578 0.132 1.00 0.00 C ATOM 389 C HIS A 157 -0.804 -6.713 1.133 1.00 0.00 C ATOM 390 O HIS A 157 0.039 -6.936 2.001 1.00 0.00 O ATOM 391 CB HIS A 157 -0.867 -4.233 0.813 1.00 0.00 C ATOM 392 CG HIS A 157 -0.160 -4.082 2.124 1.00 0.00 C ATOM 393 ND1 HIS A 157 1.079 -3.490 2.248 1.00 0.00 N ATOM 394 CD2 HIS A 157 -0.526 -4.449 3.375 1.00 0.00 C ATOM 395 CE1 HIS A 157 1.445 -3.501 3.517 1.00 0.00 C ATOM 396 NE2 HIS A 157 0.488 -4.077 4.222 1.00 0.00 N ATOM 0 H HIS A 157 -2.412 -5.302 -0.907 1.00 0.00 H new ATOM 0 HA HIS A 157 0.416 -5.605 -0.228 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -0.552 -3.431 0.145 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -1.939 -4.113 0.972 1.00 0.00 H new ATOM 0 HD1 HIS A 157 1.627 -3.104 1.480 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -1.445 -4.943 3.654 1.00 0.00 H new ATOM 0 HE1 HIS A 157 2.370 -3.106 3.911 1.00 0.00 H new ATOM 404 N GLU A 158 -1.918 -7.427 1.005 1.00 0.00 N ATOM 405 CA GLU A 158 -2.221 -8.537 1.900 1.00 0.00 C ATOM 406 C GLU A 158 -1.700 -9.853 1.329 1.00 0.00 C ATOM 407 O GLU A 158 -1.639 -10.864 2.028 1.00 0.00 O ATOM 408 CB GLU A 158 -3.729 -8.633 2.138 1.00 0.00 C ATOM 409 CG GLU A 158 -4.331 -7.376 2.743 1.00 0.00 C ATOM 410 CD GLU A 158 -5.259 -7.674 3.905 1.00 0.00 C ATOM 411 OE1 GLU A 158 -6.469 -7.865 3.662 1.00 0.00 O ATOM 412 OE2 GLU A 158 -4.776 -7.715 5.055 1.00 0.00 O ATOM 0 H GLU A 158 -2.625 -7.256 0.290 1.00 0.00 H new ATOM 0 HA GLU A 158 -1.722 -8.350 2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.225 -8.844 1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -3.931 -9.477 2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -3.529 -6.721 3.082 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -4.881 -6.834 1.973 1.00 0.00 H new ATOM 419 N ARG A 159 -1.328 -9.832 0.053 1.00 0.00 N ATOM 420 CA ARG A 159 -0.815 -11.023 -0.613 1.00 0.00 C ATOM 421 C ARG A 159 0.710 -11.002 -0.666 1.00 0.00 C ATOM 422 O ARG A 159 1.361 -12.035 -0.507 1.00 0.00 O ATOM 423 CB ARG A 159 -1.384 -11.126 -2.030 1.00 0.00 C ATOM 424 CG ARG A 159 -1.028 -9.943 -2.916 1.00 0.00 C ATOM 425 CD ARG A 159 0.141 -10.266 -3.833 1.00 0.00 C ATOM 426 NE ARG A 159 -0.150 -11.395 -4.714 1.00 0.00 N ATOM 427 CZ ARG A 159 0.786 -12.096 -5.344 1.00 0.00 C ATOM 428 NH1 ARG A 159 2.066 -11.786 -5.190 1.00 0.00 N ATOM 429 NH2 ARG A 159 0.443 -13.109 -6.129 1.00 0.00 N ATOM 0 H ARG A 159 -1.372 -9.003 -0.540 1.00 0.00 H new ATOM 0 HA ARG A 159 -1.129 -11.894 -0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -1.016 -12.041 -2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -2.469 -11.212 -1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -1.894 -9.662 -3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -0.777 -9.084 -2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 159 0.383 -9.390 -4.434 1.00 0.00 H new ATOM 0 HD3 ARG A 159 1.021 -10.493 -3.232 1.00 0.00 H new ATOM 0 HE ARG A 159 -1.125 -11.659 -4.853 1.00 0.00 H new ATOM 0 HH11 ARG A 159 2.333 -11.008 -4.587 1.00 0.00 H new ATOM 0 HH12 ARG A 159 2.783 -12.326 -5.675 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -0.541 -13.350 -6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 159 1.163 -13.646 -6.612 1.00 0.00 H new ATOM 443 N LEU A 160 1.272 -9.820 -0.892 1.00 0.00 N ATOM 444 CA LEU A 160 2.721 -9.664 -0.966 1.00 0.00 C ATOM 445 C LEU A 160 3.360 -9.852 0.405 1.00 0.00 C ATOM 446 O LEU A 160 4.577 -10.006 0.519 1.00 0.00 O ATOM 447 CB LEU A 160 3.077 -8.284 -1.522 1.00 0.00 C ATOM 448 CG LEU A 160 3.568 -7.256 -0.503 1.00 0.00 C ATOM 449 CD1 LEU A 160 4.019 -5.983 -1.203 1.00 0.00 C ATOM 450 CD2 LEU A 160 2.477 -6.949 0.513 1.00 0.00 C ATOM 0 H LEU A 160 0.747 -8.956 -1.027 1.00 0.00 H new ATOM 0 HA LEU A 160 3.110 -10.431 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 160 3.848 -8.409 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 160 2.198 -7.878 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 160 4.422 -7.678 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 160 4.365 -5.263 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.832 -6.215 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.183 -5.558 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.844 -6.215 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.603 -6.548 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.201 -7.863 1.038 1.00 0.00 H new ATOM 462 N HIS A 161 2.532 -9.842 1.445 1.00 0.00 N ATOM 463 CA HIS A 161 3.017 -10.014 2.810 1.00 0.00 C ATOM 464 C HIS A 161 3.861 -11.279 2.931 1.00 0.00 C ATOM 465 O HIS A 161 4.947 -11.261 3.511 1.00 0.00 O ATOM 466 CB HIS A 161 1.842 -10.076 3.787 1.00 0.00 C ATOM 467 CG HIS A 161 1.688 -8.839 4.617 1.00 0.00 C ATOM 468 ND1 HIS A 161 2.627 -8.431 5.540 1.00 0.00 N ATOM 469 CD2 HIS A 161 0.696 -7.919 4.659 1.00 0.00 C ATOM 470 CE1 HIS A 161 2.219 -7.313 6.115 1.00 0.00 C ATOM 471 NE2 HIS A 161 1.050 -6.981 5.597 1.00 0.00 N ATOM 0 H HIS A 161 1.523 -9.717 1.369 1.00 0.00 H new ATOM 0 HA HIS A 161 3.642 -9.156 3.058 1.00 0.00 H new ATOM 0 HB2 HIS A 161 0.922 -10.244 3.226 1.00 0.00 H new ATOM 0 HB3 HIS A 161 1.974 -10.933 4.448 1.00 0.00 H new ATOM 0 HD1 HIS A 161 3.500 -8.916 5.747 1.00 0.00 H new ATOM 0 HD2 HIS A 161 -0.206 -7.922 4.065 1.00 0.00 H new ATOM 0 HE1 HIS A 161 2.751 -6.764 6.878 1.00 0.00 H new ATOM 479 N THR A 162 3.355 -12.378 2.380 1.00 0.00 N ATOM 480 CA THR A 162 4.061 -13.652 2.427 1.00 0.00 C ATOM 481 C THR A 162 5.406 -13.562 1.715 1.00 0.00 C ATOM 482 O THR A 162 5.552 -12.835 0.733 1.00 0.00 O ATOM 483 CB THR A 162 3.229 -14.780 1.789 1.00 0.00 C ATOM 484 OG1 THR A 162 3.992 -15.991 1.752 1.00 0.00 O ATOM 485 CG2 THR A 162 2.798 -14.403 0.380 1.00 0.00 C ATOM 0 H THR A 162 2.458 -12.411 1.896 1.00 0.00 H new ATOM 0 HA THR A 162 4.225 -13.883 3.479 1.00 0.00 H new ATOM 0 HB THR A 162 2.337 -14.932 2.397 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.455 -16.704 1.347 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.212 -15.215 -0.051 1.00 0.00 H new ATOM 0 HG22 THR A 162 2.193 -13.497 0.415 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.680 -14.227 -0.235 1.00 0.00 H new ATOM 493 N GLY A 163 6.387 -14.308 2.215 1.00 0.00 N ATOM 494 CA GLY A 163 7.707 -14.298 1.613 1.00 0.00 C ATOM 495 C GLY A 163 8.749 -13.661 2.510 1.00 0.00 C ATOM 496 O GLY A 163 9.786 -14.262 2.793 1.00 0.00 O ATOM 0 H GLY A 163 6.291 -14.919 3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 163 8.006 -15.321 1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 163 7.667 -13.758 0.667 1.00 0.00 H new ATOM 500 N SER A 164 8.475 -12.440 2.959 1.00 0.00 N ATOM 501 CA SER A 164 9.400 -11.718 3.825 1.00 0.00 C ATOM 502 C SER A 164 10.730 -11.475 3.118 1.00 0.00 C ATOM 503 O SER A 164 10.969 -11.991 2.027 1.00 0.00 O ATOM 504 CB SER A 164 9.633 -12.499 5.120 1.00 0.00 C ATOM 505 OG SER A 164 10.826 -13.261 5.049 1.00 0.00 O ATOM 0 H SER A 164 7.620 -11.930 2.737 1.00 0.00 H new ATOM 0 HA SER A 164 8.955 -10.752 4.066 1.00 0.00 H new ATOM 0 HB2 SER A 164 9.689 -11.807 5.960 1.00 0.00 H new ATOM 0 HB3 SER A 164 8.786 -13.160 5.307 1.00 0.00 H new ATOM 0 HG SER A 164 10.799 -13.838 4.257 1.00 0.00 H new ATOM 511 N GLY A 165 11.593 -10.685 3.749 1.00 0.00 N ATOM 512 CA GLY A 165 12.888 -10.387 3.167 1.00 0.00 C ATOM 513 C GLY A 165 12.788 -9.449 1.979 1.00 0.00 C ATOM 514 O GLY A 165 11.736 -8.871 1.705 1.00 0.00 O ATOM 0 H GLY A 165 11.418 -10.246 4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 165 13.530 -9.940 3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 165 13.364 -11.316 2.854 1.00 0.00 H new ATOM 518 N PRO A 166 13.903 -9.288 1.252 1.00 0.00 N ATOM 519 CA PRO A 166 13.962 -8.414 0.077 1.00 0.00 C ATOM 520 C PRO A 166 13.159 -8.966 -1.097 1.00 0.00 C ATOM 521 O PRO A 166 12.556 -10.034 -1.000 1.00 0.00 O ATOM 522 CB PRO A 166 15.453 -8.379 -0.265 1.00 0.00 C ATOM 523 CG PRO A 166 15.998 -9.651 0.286 1.00 0.00 C ATOM 524 CD PRO A 166 15.192 -9.946 1.521 1.00 0.00 C ATOM 0 HA PRO A 166 13.534 -7.432 0.278 1.00 0.00 H new ATOM 0 HB2 PRO A 166 15.611 -8.314 -1.342 1.00 0.00 H new ATOM 0 HB3 PRO A 166 15.941 -7.513 0.181 1.00 0.00 H new ATOM 0 HG2 PRO A 166 15.911 -10.460 -0.440 1.00 0.00 H new ATOM 0 HG3 PRO A 166 17.057 -9.551 0.526 1.00 0.00 H new ATOM 0 HD2 PRO A 166 15.071 -11.018 1.676 1.00 0.00 H new ATOM 0 HD3 PRO A 166 15.668 -9.546 2.416 1.00 0.00 H new ATOM 532 N SER A 167 13.157 -8.230 -2.204 1.00 0.00 N ATOM 533 CA SER A 167 12.425 -8.645 -3.395 1.00 0.00 C ATOM 534 C SER A 167 12.880 -10.026 -3.859 1.00 0.00 C ATOM 535 O SER A 167 12.116 -10.990 -3.816 1.00 0.00 O ATOM 536 CB SER A 167 12.621 -7.627 -4.520 1.00 0.00 C ATOM 537 OG SER A 167 12.568 -6.301 -4.022 1.00 0.00 O ATOM 0 H SER A 167 13.654 -7.344 -2.301 1.00 0.00 H new ATOM 0 HA SER A 167 11.366 -8.697 -3.141 1.00 0.00 H new ATOM 0 HB2 SER A 167 13.581 -7.798 -5.006 1.00 0.00 H new ATOM 0 HB3 SER A 167 11.850 -7.765 -5.278 1.00 0.00 H new ATOM 0 HG SER A 167 12.698 -5.669 -4.760 1.00 0.00 H new ATOM 543 N SER A 168 14.130 -10.112 -4.302 1.00 0.00 N ATOM 544 CA SER A 168 14.688 -11.372 -4.778 1.00 0.00 C ATOM 545 C SER A 168 14.786 -12.386 -3.642 1.00 0.00 C ATOM 546 O SER A 168 14.070 -13.387 -3.624 1.00 0.00 O ATOM 547 CB SER A 168 16.069 -11.144 -5.394 1.00 0.00 C ATOM 548 OG SER A 168 15.968 -10.821 -6.770 1.00 0.00 O ATOM 0 H SER A 168 14.776 -9.324 -4.341 1.00 0.00 H new ATOM 0 HA SER A 168 14.020 -11.771 -5.542 1.00 0.00 H new ATOM 0 HB2 SER A 168 16.578 -10.338 -4.865 1.00 0.00 H new ATOM 0 HB3 SER A 168 16.677 -12.040 -5.272 1.00 0.00 H new ATOM 0 HG SER A 168 16.865 -10.679 -7.139 1.00 0.00 H new ATOM 554 N GLY A 169 15.679 -12.119 -2.694 1.00 0.00 N ATOM 555 CA GLY A 169 15.856 -13.016 -1.567 1.00 0.00 C ATOM 556 C GLY A 169 16.207 -14.426 -1.998 1.00 0.00 C ATOM 557 O GLY A 169 16.649 -15.215 -1.164 1.00 0.00 O ATOM 0 H GLY A 169 16.283 -11.297 -2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 169 16.644 -12.630 -0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 169 14.940 -13.037 -0.976 1.00 0.00 H new TER 561 GLY A 169 HETATM 562 ZN ZN A 201 0.226 -5.218 5.975 1.00 0.00 ZN