USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 280 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 214 HIS HE2 : A 214 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 218 HIS HE2 : A 218 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD Set 1.1: A 200 GLN : amide:sc= -1.36 K(o=-1.4,f=-1.9!) USER MOD Set 1.2: A 219 THR OG1 : rot 180:sc= 0 USER MOD Single : A 186 SER OG : rot 180:sc= 0.0325 USER MOD Single : A 187 SER OG : rot 36:sc= 0.166 USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 190 SER OG : rot 180:sc= 0 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 SER OG : rot 180:sc= 0.0874 USER MOD Single : A 207 GLN : amide:sc= -0.0291 K(o=-0.029,f=-0.74) USER MOD Single : A 208 LYS NZ :NH3+ -146:sc= -0.047 (180deg=-0.336) USER MOD Single : A 210 SER OG : rot 180:sc= -0.657 USER MOD Single : A 221 SER OG : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 225 SER OG : rot 180:sc= -0.15 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 185 7.576 21.001 16.268 1.00 0.00 N ATOM 2 CA GLY A 185 7.529 20.923 14.820 1.00 0.00 C ATOM 3 C GLY A 185 7.264 19.516 14.323 1.00 0.00 C ATOM 4 O GLY A 185 8.069 18.949 13.585 1.00 0.00 O ATOM 0 HA2 GLY A 185 6.750 21.589 14.449 1.00 0.00 H new ATOM 0 HA3 GLY A 185 8.474 21.278 14.409 1.00 0.00 H new ATOM 8 N SER A 186 6.132 18.950 14.730 1.00 0.00 N ATOM 9 CA SER A 186 5.765 17.598 14.326 1.00 0.00 C ATOM 10 C SER A 186 5.314 17.570 12.869 1.00 0.00 C ATOM 11 O SER A 186 4.166 17.888 12.557 1.00 0.00 O ATOM 12 CB SER A 186 4.653 17.058 15.227 1.00 0.00 C ATOM 13 OG SER A 186 4.696 17.661 16.508 1.00 0.00 O ATOM 0 H SER A 186 5.453 19.407 15.339 1.00 0.00 H new ATOM 0 HA SER A 186 6.645 16.963 14.428 1.00 0.00 H new ATOM 0 HB2 SER A 186 3.684 17.246 14.766 1.00 0.00 H new ATOM 0 HB3 SER A 186 4.754 15.977 15.327 1.00 0.00 H new ATOM 0 HG SER A 186 3.974 17.300 17.064 1.00 0.00 H new ATOM 19 N SER A 187 6.225 17.187 11.980 1.00 0.00 N ATOM 20 CA SER A 187 5.923 17.121 10.555 1.00 0.00 C ATOM 21 C SER A 187 6.427 15.813 9.953 1.00 0.00 C ATOM 22 O SER A 187 7.603 15.472 10.075 1.00 0.00 O ATOM 23 CB SER A 187 6.553 18.308 9.823 1.00 0.00 C ATOM 24 OG SER A 187 7.946 18.381 10.073 1.00 0.00 O ATOM 0 H SER A 187 7.179 16.918 12.222 1.00 0.00 H new ATOM 0 HA SER A 187 4.840 17.163 10.436 1.00 0.00 H new ATOM 0 HB2 SER A 187 6.377 18.213 8.751 1.00 0.00 H new ATOM 0 HB3 SER A 187 6.074 19.233 10.144 1.00 0.00 H new ATOM 0 HG SER A 187 8.316 17.475 10.129 1.00 0.00 H new ATOM 30 N GLY A 188 5.526 15.083 9.303 1.00 0.00 N ATOM 31 CA GLY A 188 5.897 13.820 8.691 1.00 0.00 C ATOM 32 C GLY A 188 5.066 13.504 7.464 1.00 0.00 C ATOM 33 O GLY A 188 5.528 13.664 6.334 1.00 0.00 O ATOM 0 H GLY A 188 4.546 15.343 9.189 1.00 0.00 H new ATOM 0 HA2 GLY A 188 6.951 13.850 8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 188 5.781 13.018 9.421 1.00 0.00 H new ATOM 37 N SER A 189 3.835 13.052 7.684 1.00 0.00 N ATOM 38 CA SER A 189 2.939 12.707 6.587 1.00 0.00 C ATOM 39 C SER A 189 1.481 12.797 7.027 1.00 0.00 C ATOM 40 O SER A 189 1.179 12.779 8.220 1.00 0.00 O ATOM 41 CB SER A 189 3.244 11.297 6.075 1.00 0.00 C ATOM 42 OG SER A 189 3.136 11.233 4.664 1.00 0.00 O ATOM 0 H SER A 189 3.436 12.916 8.613 1.00 0.00 H new ATOM 0 HA SER A 189 3.101 13.422 5.780 1.00 0.00 H new ATOM 0 HB2 SER A 189 4.249 11.006 6.380 1.00 0.00 H new ATOM 0 HB3 SER A 189 2.554 10.585 6.528 1.00 0.00 H new ATOM 0 HG SER A 189 3.337 10.323 4.361 1.00 0.00 H new ATOM 48 N SER A 190 0.581 12.893 6.054 1.00 0.00 N ATOM 49 CA SER A 190 -0.846 12.990 6.340 1.00 0.00 C ATOM 50 C SER A 190 -1.558 11.684 6.000 1.00 0.00 C ATOM 51 O SER A 190 -2.217 11.084 6.848 1.00 0.00 O ATOM 52 CB SER A 190 -1.469 14.144 5.552 1.00 0.00 C ATOM 53 OG SER A 190 -2.800 14.387 5.970 1.00 0.00 O ATOM 0 H SER A 190 0.814 12.906 5.061 1.00 0.00 H new ATOM 0 HA SER A 190 -0.965 13.182 7.406 1.00 0.00 H new ATOM 0 HB2 SER A 190 -0.872 15.046 5.688 1.00 0.00 H new ATOM 0 HB3 SER A 190 -1.456 13.910 4.487 1.00 0.00 H new ATOM 0 HG SER A 190 -3.175 15.130 5.452 1.00 0.00 H new ATOM 59 N GLY A 191 -1.420 11.250 4.750 1.00 0.00 N ATOM 60 CA GLY A 191 -2.055 10.019 4.318 1.00 0.00 C ATOM 61 C GLY A 191 -1.858 9.753 2.839 1.00 0.00 C ATOM 62 O GLY A 191 -1.778 10.684 2.039 1.00 0.00 O ATOM 0 H GLY A 191 -0.880 11.729 4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 191 -1.651 9.185 4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 191 -3.122 10.068 4.536 1.00 0.00 H new ATOM 66 N GLY A 192 -1.777 8.477 2.474 1.00 0.00 N ATOM 67 CA GLY A 192 -1.586 8.114 1.082 1.00 0.00 C ATOM 68 C GLY A 192 -2.780 8.474 0.221 1.00 0.00 C ATOM 69 O GLY A 192 -3.926 8.349 0.653 1.00 0.00 O ATOM 0 H GLY A 192 -1.840 7.688 3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -0.699 8.617 0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -1.401 7.042 1.011 1.00 0.00 H new ATOM 73 N GLU A 193 -2.513 8.924 -1.001 1.00 0.00 N ATOM 74 CA GLU A 193 -3.575 9.306 -1.924 1.00 0.00 C ATOM 75 C GLU A 193 -4.554 8.153 -2.133 1.00 0.00 C ATOM 76 O GLU A 193 -5.726 8.367 -2.443 1.00 0.00 O ATOM 77 CB GLU A 193 -2.984 9.738 -3.268 1.00 0.00 C ATOM 78 CG GLU A 193 -1.993 10.883 -3.156 1.00 0.00 C ATOM 79 CD GLU A 193 -1.348 11.229 -4.484 1.00 0.00 C ATOM 80 OE1 GLU A 193 -2.088 11.575 -5.430 1.00 0.00 O ATOM 81 OE2 GLU A 193 -0.106 11.154 -4.579 1.00 0.00 O ATOM 0 H GLU A 193 -1.570 9.033 -1.375 1.00 0.00 H new ATOM 0 HA GLU A 193 -4.116 10.146 -1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -2.489 8.884 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -3.795 10.034 -3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -2.503 11.763 -2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -1.217 10.618 -2.438 1.00 0.00 H new ATOM 88 N LYS A 194 -4.064 6.930 -1.963 1.00 0.00 N ATOM 89 CA LYS A 194 -4.893 5.743 -2.132 1.00 0.00 C ATOM 90 C LYS A 194 -5.341 5.196 -0.781 1.00 0.00 C ATOM 91 O LYS A 194 -4.711 5.428 0.251 1.00 0.00 O ATOM 92 CB LYS A 194 -4.125 4.665 -2.901 1.00 0.00 C ATOM 93 CG LYS A 194 -3.968 4.969 -4.381 1.00 0.00 C ATOM 94 CD LYS A 194 -5.260 4.721 -5.141 1.00 0.00 C ATOM 95 CE LYS A 194 -5.140 5.146 -6.597 1.00 0.00 C ATOM 96 NZ LYS A 194 -6.344 4.766 -7.387 1.00 0.00 N ATOM 0 H LYS A 194 -3.096 6.735 -1.708 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.778 6.026 -2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -3.137 4.547 -2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -4.641 3.712 -2.787 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -3.663 6.007 -4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -3.174 4.349 -4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -5.516 3.663 -5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -6.074 5.270 -4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -4.997 6.225 -6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -4.256 4.685 -7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -6.223 5.073 -8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -6.467 3.734 -7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -7.184 5.226 -6.982 1.00 0.00 H new ATOM 110 N PRO A 195 -6.456 4.450 -0.784 1.00 0.00 N ATOM 111 CA PRO A 195 -7.012 3.853 0.434 1.00 0.00 C ATOM 112 C PRO A 195 -6.142 2.724 0.976 1.00 0.00 C ATOM 113 O PRO A 195 -6.143 2.449 2.176 1.00 0.00 O ATOM 114 CB PRO A 195 -8.368 3.309 -0.025 1.00 0.00 C ATOM 115 CG PRO A 195 -8.205 3.070 -1.487 1.00 0.00 C ATOM 116 CD PRO A 195 -7.259 4.132 -1.977 1.00 0.00 C ATOM 0 HA PRO A 195 -7.080 4.575 1.247 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -8.624 2.389 0.500 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -9.168 4.022 0.173 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -7.806 2.074 -1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -9.164 3.133 -2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -6.637 3.769 -2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -7.794 5.007 -2.347 1.00 0.00 H new ATOM 124 N TYR A 196 -5.400 2.076 0.086 1.00 0.00 N ATOM 125 CA TYR A 196 -4.525 0.976 0.475 1.00 0.00 C ATOM 126 C TYR A 196 -3.197 1.500 1.012 1.00 0.00 C ATOM 127 O TYR A 196 -2.317 1.893 0.247 1.00 0.00 O ATOM 128 CB TYR A 196 -4.276 0.048 -0.715 1.00 0.00 C ATOM 129 CG TYR A 196 -5.524 -0.264 -1.511 1.00 0.00 C ATOM 130 CD1 TYR A 196 -6.326 -1.351 -1.185 1.00 0.00 C ATOM 131 CD2 TYR A 196 -5.901 0.529 -2.588 1.00 0.00 C ATOM 132 CE1 TYR A 196 -7.466 -1.640 -1.909 1.00 0.00 C ATOM 133 CE2 TYR A 196 -7.040 0.248 -3.317 1.00 0.00 C ATOM 134 CZ TYR A 196 -7.819 -0.838 -2.974 1.00 0.00 C ATOM 135 OH TYR A 196 -8.955 -1.122 -3.698 1.00 0.00 O ATOM 0 H TYR A 196 -5.387 2.293 -0.911 1.00 0.00 H new ATOM 0 HA TYR A 196 -5.021 0.415 1.267 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -3.539 0.507 -1.375 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -3.843 -0.885 -0.353 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -6.053 -1.981 -0.351 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -5.293 1.379 -2.860 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.078 -2.489 -1.643 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -7.319 0.875 -4.151 1.00 0.00 H new ATOM 0 HH TYR A 196 -9.061 -0.460 -4.413 1.00 0.00 H new ATOM 145 N ARG A 197 -3.060 1.502 2.334 1.00 0.00 N ATOM 146 CA ARG A 197 -1.840 1.977 2.975 1.00 0.00 C ATOM 147 C ARG A 197 -1.422 1.044 4.108 1.00 0.00 C ATOM 148 O ARG A 197 -2.091 0.963 5.139 1.00 0.00 O ATOM 149 CB ARG A 197 -2.042 3.394 3.516 1.00 0.00 C ATOM 150 CG ARG A 197 -0.810 3.967 4.197 1.00 0.00 C ATOM 151 CD ARG A 197 -1.174 4.711 5.472 1.00 0.00 C ATOM 152 NE ARG A 197 -0.173 5.714 5.826 1.00 0.00 N ATOM 153 CZ ARG A 197 -0.080 6.267 7.030 1.00 0.00 C ATOM 154 NH1 ARG A 197 -0.924 5.917 7.991 1.00 0.00 N ATOM 155 NH2 ARG A 197 0.859 7.172 7.275 1.00 0.00 N ATOM 0 H ARG A 197 -3.779 1.180 2.982 1.00 0.00 H new ATOM 0 HA ARG A 197 -1.048 1.990 2.227 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -2.331 4.050 2.695 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -2.869 3.388 4.225 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -0.114 3.161 4.431 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -0.297 4.643 3.514 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -2.143 5.195 5.345 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -1.278 3.998 6.290 1.00 0.00 H new ATOM 0 HE ARG A 197 0.491 6.006 5.109 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -1.647 5.221 7.807 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -0.850 6.343 8.915 1.00 0.00 H new ATOM 0 HH21 ARG A 197 1.510 7.444 6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 197 0.930 7.596 8.200 1.00 0.00 H new ATOM 169 N CYS A 198 -0.312 0.342 3.909 1.00 0.00 N ATOM 170 CA CYS A 198 0.196 -0.587 4.912 1.00 0.00 C ATOM 171 C CYS A 198 0.714 0.164 6.136 1.00 0.00 C ATOM 172 O CYS A 198 1.573 1.038 6.023 1.00 0.00 O ATOM 173 CB CYS A 198 1.312 -1.450 4.320 1.00 0.00 C ATOM 174 SG CYS A 198 1.768 -2.883 5.347 1.00 0.00 S ATOM 0 H CYS A 198 0.254 0.399 3.062 1.00 0.00 H new ATOM 0 HA CYS A 198 -0.626 -1.231 5.223 1.00 0.00 H new ATOM 0 HB2 CYS A 198 1.000 -1.805 3.338 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.195 -0.829 4.169 1.00 0.00 H new ATOM 179 N ASP A 199 0.184 -0.184 7.303 1.00 0.00 N ATOM 180 CA ASP A 199 0.593 0.455 8.549 1.00 0.00 C ATOM 181 C ASP A 199 1.815 -0.241 9.141 1.00 0.00 C ATOM 182 O ASP A 199 2.435 0.264 10.077 1.00 0.00 O ATOM 183 CB ASP A 199 -0.557 0.439 9.557 1.00 0.00 C ATOM 184 CG ASP A 199 -1.294 1.763 9.615 1.00 0.00 C ATOM 185 OD1 ASP A 199 -1.789 2.214 8.561 1.00 0.00 O ATOM 186 OD2 ASP A 199 -1.377 2.347 10.715 1.00 0.00 O ATOM 0 H ASP A 199 -0.529 -0.905 7.413 1.00 0.00 H new ATOM 0 HA ASP A 199 0.858 1.489 8.328 1.00 0.00 H new ATOM 0 HB2 ASP A 199 -1.258 -0.352 9.292 1.00 0.00 H new ATOM 0 HB3 ASP A 199 -0.166 0.200 10.546 1.00 0.00 H new ATOM 191 N GLN A 200 2.153 -1.402 8.591 1.00 0.00 N ATOM 192 CA GLN A 200 3.299 -2.167 9.066 1.00 0.00 C ATOM 193 C GLN A 200 4.608 -1.500 8.657 1.00 0.00 C ATOM 194 O GLN A 200 5.564 -1.455 9.432 1.00 0.00 O ATOM 195 CB GLN A 200 3.249 -3.595 8.519 1.00 0.00 C ATOM 196 CG GLN A 200 1.902 -4.274 8.714 1.00 0.00 C ATOM 197 CD GLN A 200 1.964 -5.771 8.483 1.00 0.00 C ATOM 198 OE1 GLN A 200 2.389 -6.528 9.356 1.00 0.00 O ATOM 199 NE2 GLN A 200 1.541 -6.206 7.302 1.00 0.00 N ATOM 0 H GLN A 200 1.650 -1.834 7.816 1.00 0.00 H new ATOM 0 HA GLN A 200 3.254 -2.200 10.155 1.00 0.00 H new ATOM 0 HB2 GLN A 200 3.487 -3.576 7.455 1.00 0.00 H new ATOM 0 HB3 GLN A 200 4.021 -4.190 9.008 1.00 0.00 H new ATOM 0 HG2 GLN A 200 1.545 -4.081 9.726 1.00 0.00 H new ATOM 0 HG3 GLN A 200 1.176 -3.835 8.030 1.00 0.00 H new ATOM 0 HE21 GLN A 200 1.197 -5.543 6.608 1.00 0.00 H new ATOM 0 HE22 GLN A 200 1.560 -7.203 7.089 1.00 0.00 H new ATOM 208 N CYS A 201 4.644 -0.981 7.434 1.00 0.00 N ATOM 209 CA CYS A 201 5.835 -0.316 6.920 1.00 0.00 C ATOM 210 C CYS A 201 5.548 1.150 6.608 1.00 0.00 C ATOM 211 O CYS A 201 6.417 2.009 6.754 1.00 0.00 O ATOM 212 CB CYS A 201 6.339 -1.027 5.662 1.00 0.00 C ATOM 213 SG CYS A 201 5.131 -1.074 4.300 1.00 0.00 S ATOM 0 H CYS A 201 3.861 -1.008 6.780 1.00 0.00 H new ATOM 0 HA CYS A 201 6.606 -0.361 7.689 1.00 0.00 H new ATOM 0 HB2 CYS A 201 7.244 -0.529 5.314 1.00 0.00 H new ATOM 0 HB3 CYS A 201 6.617 -2.048 5.922 1.00 0.00 H new ATOM 218 N GLY A 202 4.321 1.429 6.178 1.00 0.00 N ATOM 219 CA GLY A 202 3.941 2.791 5.852 1.00 0.00 C ATOM 220 C GLY A 202 4.028 3.078 4.367 1.00 0.00 C ATOM 221 O GLY A 202 4.598 4.088 3.954 1.00 0.00 O ATOM 0 H GLY A 202 3.584 0.736 6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 202 2.922 2.972 6.195 1.00 0.00 H new ATOM 0 HA3 GLY A 202 4.587 3.484 6.391 1.00 0.00 H new ATOM 225 N LYS A 203 3.464 2.186 3.559 1.00 0.00 N ATOM 226 CA LYS A 203 3.480 2.347 2.110 1.00 0.00 C ATOM 227 C LYS A 203 2.078 2.624 1.577 1.00 0.00 C ATOM 228 O LYS A 203 1.118 2.707 2.343 1.00 0.00 O ATOM 229 CB LYS A 203 4.053 1.094 1.443 1.00 0.00 C ATOM 230 CG LYS A 203 5.502 1.242 1.014 1.00 0.00 C ATOM 231 CD LYS A 203 5.878 0.218 -0.043 1.00 0.00 C ATOM 232 CE LYS A 203 5.981 0.853 -1.422 1.00 0.00 C ATOM 233 NZ LYS A 203 6.544 -0.092 -2.426 1.00 0.00 N ATOM 0 H LYS A 203 2.990 1.343 3.884 1.00 0.00 H new ATOM 0 HA LYS A 203 4.115 3.200 1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.971 0.255 2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.448 0.848 0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 203 5.666 2.246 0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 203 6.153 1.127 1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 203 6.830 -0.244 0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 203 5.133 -0.577 -0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 203 4.993 1.181 -1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 203 6.610 1.742 -1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 6.598 0.377 -3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 7.497 -0.386 -2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 5.930 -0.929 -2.497 1.00 0.00 H new ATOM 247 N ALA A 204 1.966 2.763 0.261 1.00 0.00 N ATOM 248 CA ALA A 204 0.681 3.026 -0.374 1.00 0.00 C ATOM 249 C ALA A 204 0.545 2.252 -1.681 1.00 0.00 C ATOM 250 O ALA A 204 1.505 2.122 -2.440 1.00 0.00 O ATOM 251 CB ALA A 204 0.510 4.518 -0.622 1.00 0.00 C ATOM 0 H ALA A 204 2.751 2.698 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 204 -0.105 2.688 0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.454 4.700 -1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 204 0.553 5.052 0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 204 1.308 4.872 -1.274 1.00 0.00 H new ATOM 257 N PHE A 205 -0.654 1.738 -1.937 1.00 0.00 N ATOM 258 CA PHE A 205 -0.915 0.975 -3.152 1.00 0.00 C ATOM 259 C PHE A 205 -2.196 1.453 -3.829 1.00 0.00 C ATOM 260 O PHE A 205 -3.099 1.976 -3.176 1.00 0.00 O ATOM 261 CB PHE A 205 -1.021 -0.517 -2.829 1.00 0.00 C ATOM 262 CG PHE A 205 0.084 -1.019 -1.943 1.00 0.00 C ATOM 263 CD1 PHE A 205 -0.009 -0.905 -0.566 1.00 0.00 C ATOM 264 CD2 PHE A 205 1.215 -1.604 -2.489 1.00 0.00 C ATOM 265 CE1 PHE A 205 1.006 -1.366 0.252 1.00 0.00 C ATOM 266 CE2 PHE A 205 2.232 -2.067 -1.676 1.00 0.00 C ATOM 267 CZ PHE A 205 2.128 -1.947 -0.304 1.00 0.00 C ATOM 0 H PHE A 205 -1.460 1.836 -1.319 1.00 0.00 H new ATOM 0 HA PHE A 205 -0.082 1.133 -3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -1.979 -0.709 -2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -1.015 -1.083 -3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -0.884 -0.451 -0.126 1.00 0.00 H new ATOM 0 HD2 PHE A 205 1.303 -1.699 -3.561 1.00 0.00 H new ATOM 0 HE1 PHE A 205 0.921 -1.272 1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 205 3.108 -2.523 -2.113 1.00 0.00 H new ATOM 0 HZ PHE A 205 2.923 -2.307 0.332 1.00 0.00 H new ATOM 277 N SER A 206 -2.266 1.269 -5.144 1.00 0.00 N ATOM 278 CA SER A 206 -3.434 1.685 -5.912 1.00 0.00 C ATOM 279 C SER A 206 -4.499 0.593 -5.915 1.00 0.00 C ATOM 280 O SER A 206 -5.691 0.874 -6.039 1.00 0.00 O ATOM 281 CB SER A 206 -3.031 2.024 -7.349 1.00 0.00 C ATOM 282 OG SER A 206 -1.947 1.219 -7.778 1.00 0.00 O ATOM 0 H SER A 206 -1.528 0.835 -5.699 1.00 0.00 H new ATOM 0 HA SER A 206 -3.851 2.574 -5.439 1.00 0.00 H new ATOM 0 HB2 SER A 206 -3.883 1.877 -8.013 1.00 0.00 H new ATOM 0 HB3 SER A 206 -2.755 3.076 -7.414 1.00 0.00 H new ATOM 0 HG SER A 206 -1.710 1.454 -8.699 1.00 0.00 H new ATOM 288 N GLN A 207 -4.060 -0.654 -5.778 1.00 0.00 N ATOM 289 CA GLN A 207 -4.975 -1.789 -5.766 1.00 0.00 C ATOM 290 C GLN A 207 -4.802 -2.614 -4.495 1.00 0.00 C ATOM 291 O GLN A 207 -3.769 -2.540 -3.829 1.00 0.00 O ATOM 292 CB GLN A 207 -4.745 -2.670 -6.995 1.00 0.00 C ATOM 293 CG GLN A 207 -4.598 -1.885 -8.288 1.00 0.00 C ATOM 294 CD GLN A 207 -5.188 -2.609 -9.481 1.00 0.00 C ATOM 295 OE1 GLN A 207 -5.309 -3.835 -9.481 1.00 0.00 O ATOM 296 NE2 GLN A 207 -5.560 -1.854 -10.508 1.00 0.00 N ATOM 0 H GLN A 207 -3.077 -0.904 -5.674 1.00 0.00 H new ATOM 0 HA GLN A 207 -5.994 -1.402 -5.791 1.00 0.00 H new ATOM 0 HB2 GLN A 207 -3.848 -3.269 -6.839 1.00 0.00 H new ATOM 0 HB3 GLN A 207 -5.579 -3.365 -7.095 1.00 0.00 H new ATOM 0 HG2 GLN A 207 -5.086 -0.917 -8.178 1.00 0.00 H new ATOM 0 HG3 GLN A 207 -3.541 -1.690 -8.472 1.00 0.00 H new ATOM 0 HE21 GLN A 207 -5.442 -0.842 -10.466 1.00 0.00 H new ATOM 0 HE22 GLN A 207 -5.964 -2.286 -11.339 1.00 0.00 H new ATOM 305 N LYS A 208 -5.821 -3.400 -4.162 1.00 0.00 N ATOM 306 CA LYS A 208 -5.783 -4.240 -2.971 1.00 0.00 C ATOM 307 C LYS A 208 -4.842 -5.424 -3.171 1.00 0.00 C ATOM 308 O LYS A 208 -3.927 -5.642 -2.378 1.00 0.00 O ATOM 309 CB LYS A 208 -7.188 -4.743 -2.632 1.00 0.00 C ATOM 310 CG LYS A 208 -7.413 -4.961 -1.146 1.00 0.00 C ATOM 311 CD LYS A 208 -6.431 -5.971 -0.576 1.00 0.00 C ATOM 312 CE LYS A 208 -6.740 -6.288 0.880 1.00 0.00 C ATOM 313 NZ LYS A 208 -6.873 -5.053 1.700 1.00 0.00 N ATOM 0 H LYS A 208 -6.684 -3.472 -4.701 1.00 0.00 H new ATOM 0 HA LYS A 208 -5.410 -3.637 -2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -7.921 -4.025 -3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -7.367 -5.680 -3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -7.309 -4.013 -0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -8.432 -5.309 -0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -6.467 -6.888 -1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -5.417 -5.580 -0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -7.664 -6.864 0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -5.948 -6.914 1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -6.516 -5.234 2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -6.322 -4.286 1.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -7.874 -4.775 1.750 1.00 0.00 H new ATOM 327 N GLY A 209 -5.073 -6.185 -4.236 1.00 0.00 N ATOM 328 CA GLY A 209 -4.237 -7.337 -4.521 1.00 0.00 C ATOM 329 C GLY A 209 -2.759 -7.016 -4.432 1.00 0.00 C ATOM 330 O GLY A 209 -1.988 -7.765 -3.832 1.00 0.00 O ATOM 0 H GLY A 209 -5.824 -6.025 -4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -4.475 -8.137 -3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -4.465 -7.710 -5.520 1.00 0.00 H new ATOM 334 N SER A 210 -2.360 -5.898 -5.032 1.00 0.00 N ATOM 335 CA SER A 210 -0.963 -5.482 -5.023 1.00 0.00 C ATOM 336 C SER A 210 -0.409 -5.471 -3.602 1.00 0.00 C ATOM 337 O SER A 210 0.756 -5.802 -3.374 1.00 0.00 O ATOM 338 CB SER A 210 -0.817 -4.095 -5.651 1.00 0.00 C ATOM 339 OG SER A 210 -1.663 -3.955 -6.780 1.00 0.00 O ATOM 0 H SER A 210 -2.985 -5.265 -5.530 1.00 0.00 H new ATOM 0 HA SER A 210 -0.392 -6.200 -5.611 1.00 0.00 H new ATOM 0 HB2 SER A 210 -1.061 -3.331 -4.913 1.00 0.00 H new ATOM 0 HB3 SER A 210 0.220 -3.934 -5.947 1.00 0.00 H new ATOM 0 HG SER A 210 -1.553 -3.060 -7.162 1.00 0.00 H new ATOM 345 N LEU A 211 -1.250 -5.086 -2.649 1.00 0.00 N ATOM 346 CA LEU A 211 -0.847 -5.030 -1.248 1.00 0.00 C ATOM 347 C LEU A 211 -0.763 -6.431 -0.649 1.00 0.00 C ATOM 348 O LEU A 211 0.060 -6.693 0.228 1.00 0.00 O ATOM 349 CB LEU A 211 -1.832 -4.178 -0.446 1.00 0.00 C ATOM 350 CG LEU A 211 -1.771 -4.333 1.074 1.00 0.00 C ATOM 351 CD1 LEU A 211 -0.364 -4.060 1.582 1.00 0.00 C ATOM 352 CD2 LEU A 211 -2.772 -3.404 1.745 1.00 0.00 C ATOM 0 H LEU A 211 -2.216 -4.808 -2.821 1.00 0.00 H new ATOM 0 HA LEU A 211 0.142 -4.574 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.659 -3.130 -0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -2.843 -4.420 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 211 -2.033 -5.360 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -0.340 -4.175 2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 211 0.331 -4.766 1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -0.073 -3.043 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -2.715 -3.528 2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -2.541 -2.371 1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -3.779 -3.647 1.405 1.00 0.00 H new ATOM 364 N ILE A 212 -1.619 -7.326 -1.130 1.00 0.00 N ATOM 365 CA ILE A 212 -1.639 -8.700 -0.645 1.00 0.00 C ATOM 366 C ILE A 212 -0.317 -9.404 -0.931 1.00 0.00 C ATOM 367 O ILE A 212 0.070 -10.333 -0.222 1.00 0.00 O ATOM 368 CB ILE A 212 -2.786 -9.506 -1.283 1.00 0.00 C ATOM 369 CG1 ILE A 212 -4.099 -8.726 -1.191 1.00 0.00 C ATOM 370 CG2 ILE A 212 -2.921 -10.862 -0.606 1.00 0.00 C ATOM 371 CD1 ILE A 212 -5.300 -9.503 -1.685 1.00 0.00 C ATOM 0 H ILE A 212 -2.308 -7.124 -1.855 1.00 0.00 H new ATOM 0 HA ILE A 212 -1.796 -8.651 0.433 1.00 0.00 H new ATOM 0 HB ILE A 212 -2.554 -9.669 -2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 212 -4.267 -8.434 -0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 212 -4.008 -7.807 -1.770 1.00 0.00 H new ATOM 0 HG21 ILE A 212 -3.736 -11.420 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 212 -1.991 -11.419 -0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 212 -3.133 -10.720 0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 212 -6.195 -8.888 -1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 212 -5.154 -9.772 -2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 212 -5.417 -10.409 -1.090 1.00 0.00 H new ATOM 383 N VAL A 213 0.372 -8.955 -1.975 1.00 0.00 N ATOM 384 CA VAL A 213 1.653 -9.539 -2.355 1.00 0.00 C ATOM 385 C VAL A 213 2.797 -8.920 -1.560 1.00 0.00 C ATOM 386 O VAL A 213 3.926 -9.411 -1.591 1.00 0.00 O ATOM 387 CB VAL A 213 1.929 -9.357 -3.859 1.00 0.00 C ATOM 388 CG1 VAL A 213 3.153 -10.157 -4.278 1.00 0.00 C ATOM 389 CG2 VAL A 213 0.712 -9.762 -4.677 1.00 0.00 C ATOM 0 H VAL A 213 0.064 -8.188 -2.573 1.00 0.00 H new ATOM 0 HA VAL A 213 1.594 -10.604 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 213 2.131 -8.303 -4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 213 3.332 -10.016 -5.344 1.00 0.00 H new ATOM 0 HG12 VAL A 213 4.022 -9.815 -3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 213 2.983 -11.214 -4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 213 0.925 -9.627 -5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 213 0.476 -10.809 -4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -0.139 -9.141 -4.396 1.00 0.00 H new ATOM 399 N HIS A 214 2.498 -7.838 -0.848 1.00 0.00 N ATOM 400 CA HIS A 214 3.501 -7.151 -0.043 1.00 0.00 C ATOM 401 C HIS A 214 3.472 -7.645 1.400 1.00 0.00 C ATOM 402 O HIS A 214 4.514 -7.765 2.046 1.00 0.00 O ATOM 403 CB HIS A 214 3.270 -5.640 -0.082 1.00 0.00 C ATOM 404 CG HIS A 214 3.738 -4.931 1.152 1.00 0.00 C ATOM 405 ND1 HIS A 214 5.049 -4.552 1.350 1.00 0.00 N ATOM 406 CD2 HIS A 214 3.061 -4.530 2.253 1.00 0.00 C ATOM 407 CE1 HIS A 214 5.158 -3.950 2.521 1.00 0.00 C ATOM 408 NE2 HIS A 214 3.966 -3.923 3.089 1.00 0.00 N ATOM 0 H HIS A 214 1.569 -7.418 -0.812 1.00 0.00 H new ATOM 0 HA HIS A 214 4.482 -7.372 -0.464 1.00 0.00 H new ATOM 0 HB2 HIS A 214 3.785 -5.224 -0.948 1.00 0.00 H new ATOM 0 HB3 HIS A 214 2.206 -5.447 -0.221 1.00 0.00 H new ATOM 0 HD1 HIS A 214 5.815 -4.711 0.695 1.00 0.00 H new ATOM 0 HD2 HIS A 214 2.006 -4.663 2.440 1.00 0.00 H new ATOM 0 HE1 HIS A 214 6.068 -3.548 2.942 1.00 0.00 H new ATOM 416 N ILE A 215 2.274 -7.930 1.898 1.00 0.00 N ATOM 417 CA ILE A 215 2.111 -8.412 3.265 1.00 0.00 C ATOM 418 C ILE A 215 2.899 -9.697 3.492 1.00 0.00 C ATOM 419 O ILE A 215 3.196 -10.062 4.630 1.00 0.00 O ATOM 420 CB ILE A 215 0.629 -8.665 3.598 1.00 0.00 C ATOM 421 CG1 ILE A 215 -0.186 -7.384 3.407 1.00 0.00 C ATOM 422 CG2 ILE A 215 0.488 -9.181 5.023 1.00 0.00 C ATOM 423 CD1 ILE A 215 -1.674 -7.628 3.284 1.00 0.00 C ATOM 0 H ILE A 215 1.402 -7.836 1.377 1.00 0.00 H new ATOM 0 HA ILE A 215 2.495 -7.633 3.923 1.00 0.00 H new ATOM 0 HB ILE A 215 0.243 -9.423 2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.004 -6.718 4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.165 -6.870 2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -0.565 -9.355 5.244 1.00 0.00 H new ATOM 0 HG22 ILE A 215 1.040 -10.115 5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 215 0.888 -8.443 5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -2.189 -6.677 3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 215 -1.868 -8.269 2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -2.039 -8.115 4.189 1.00 0.00 H new ATOM 435 N ARG A 216 3.236 -10.379 2.402 1.00 0.00 N ATOM 436 CA ARG A 216 3.990 -11.624 2.483 1.00 0.00 C ATOM 437 C ARG A 216 5.335 -11.401 3.168 1.00 0.00 C ATOM 438 O ARG A 216 5.952 -12.341 3.670 1.00 0.00 O ATOM 439 CB ARG A 216 4.208 -12.205 1.085 1.00 0.00 C ATOM 440 CG ARG A 216 2.948 -12.236 0.235 1.00 0.00 C ATOM 441 CD ARG A 216 3.172 -12.988 -1.068 1.00 0.00 C ATOM 442 NE ARG A 216 1.917 -13.283 -1.753 1.00 0.00 N ATOM 443 CZ ARG A 216 1.848 -13.702 -3.011 1.00 0.00 C ATOM 444 NH1 ARG A 216 2.956 -13.875 -3.718 1.00 0.00 N ATOM 445 NH2 ARG A 216 0.668 -13.950 -3.565 1.00 0.00 N ATOM 0 H ARG A 216 2.999 -10.090 1.453 1.00 0.00 H new ATOM 0 HA ARG A 216 3.412 -12.332 3.077 1.00 0.00 H new ATOM 0 HB2 ARG A 216 4.968 -11.617 0.571 1.00 0.00 H new ATOM 0 HB3 ARG A 216 4.598 -13.219 1.179 1.00 0.00 H new ATOM 0 HG2 ARG A 216 2.142 -12.709 0.795 1.00 0.00 H new ATOM 0 HG3 ARG A 216 2.629 -11.216 0.018 1.00 0.00 H new ATOM 0 HD2 ARG A 216 3.812 -12.396 -1.723 1.00 0.00 H new ATOM 0 HD3 ARG A 216 3.700 -13.919 -0.863 1.00 0.00 H new ATOM 0 HE ARG A 216 1.046 -13.161 -1.237 1.00 0.00 H new ATOM 0 HH11 ARG A 216 3.865 -13.686 -3.296 1.00 0.00 H new ATOM 0 HH12 ARG A 216 2.899 -14.197 -4.684 1.00 0.00 H new ATOM 0 HH21 ARG A 216 -0.187 -13.819 -3.024 1.00 0.00 H new ATOM 0 HH22 ARG A 216 0.616 -14.272 -4.531 1.00 0.00 H new ATOM 459 N VAL A 217 5.785 -10.151 3.184 1.00 0.00 N ATOM 460 CA VAL A 217 7.057 -9.804 3.807 1.00 0.00 C ATOM 461 C VAL A 217 6.848 -9.253 5.213 1.00 0.00 C ATOM 462 O VAL A 217 7.775 -8.731 5.832 1.00 0.00 O ATOM 463 CB VAL A 217 7.827 -8.765 2.971 1.00 0.00 C ATOM 464 CG1 VAL A 217 7.902 -9.201 1.515 1.00 0.00 C ATOM 465 CG2 VAL A 217 7.177 -7.395 3.092 1.00 0.00 C ATOM 0 H VAL A 217 5.288 -9.361 2.773 1.00 0.00 H new ATOM 0 HA VAL A 217 7.643 -10.722 3.862 1.00 0.00 H new ATOM 0 HB VAL A 217 8.844 -8.695 3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 217 8.450 -8.455 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 217 8.416 -10.160 1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 217 6.894 -9.301 1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 217 7.735 -6.674 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 217 6.149 -7.447 2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 217 7.181 -7.082 4.136 1.00 0.00 H new ATOM 475 N HIS A 218 5.622 -9.374 5.714 1.00 0.00 N ATOM 476 CA HIS A 218 5.290 -8.889 7.049 1.00 0.00 C ATOM 477 C HIS A 218 4.865 -10.040 7.955 1.00 0.00 C ATOM 478 O HIS A 218 5.622 -10.472 8.825 1.00 0.00 O ATOM 479 CB HIS A 218 4.175 -7.845 6.973 1.00 0.00 C ATOM 480 CG HIS A 218 4.666 -6.467 6.653 1.00 0.00 C ATOM 481 ND1 HIS A 218 5.577 -5.791 7.437 1.00 0.00 N ATOM 482 CD2 HIS A 218 4.368 -5.637 5.626 1.00 0.00 C ATOM 483 CE1 HIS A 218 5.817 -4.605 6.907 1.00 0.00 C ATOM 484 NE2 HIS A 218 5.096 -4.487 5.807 1.00 0.00 N ATOM 0 H HIS A 218 4.843 -9.804 5.216 1.00 0.00 H new ATOM 0 HA HIS A 218 6.181 -8.427 7.473 1.00 0.00 H new ATOM 0 HB2 HIS A 218 3.454 -8.150 6.215 1.00 0.00 H new ATOM 0 HB3 HIS A 218 3.645 -7.821 7.925 1.00 0.00 H new ATOM 0 HD1 HIS A 218 6.000 -6.151 8.293 1.00 0.00 H new ATOM 0 HD2 HIS A 218 3.685 -5.841 4.815 1.00 0.00 H new ATOM 0 HE1 HIS A 218 6.489 -3.859 7.305 1.00 0.00 H new ATOM 492 N THR A 219 3.648 -10.533 7.746 1.00 0.00 N ATOM 493 CA THR A 219 3.121 -11.632 8.545 1.00 0.00 C ATOM 494 C THR A 219 2.823 -12.849 7.676 1.00 0.00 C ATOM 495 O THR A 219 1.723 -12.991 7.146 1.00 0.00 O ATOM 496 CB THR A 219 1.837 -11.221 9.289 1.00 0.00 C ATOM 497 OG1 THR A 219 1.879 -9.824 9.604 1.00 0.00 O ATOM 498 CG2 THR A 219 1.669 -12.029 10.567 1.00 0.00 C ATOM 0 H THR A 219 3.009 -10.188 7.030 1.00 0.00 H new ATOM 0 HA THR A 219 3.889 -11.888 9.275 1.00 0.00 H new ATOM 0 HB THR A 219 0.986 -11.421 8.637 1.00 0.00 H new ATOM 0 HG1 THR A 219 1.058 -9.570 10.075 1.00 0.00 H new ATOM 0 HG21 THR A 219 0.755 -11.721 11.075 1.00 0.00 H new ATOM 0 HG22 THR A 219 1.608 -13.089 10.322 1.00 0.00 H new ATOM 0 HG23 THR A 219 2.524 -11.857 11.221 1.00 0.00 H new ATOM 506 N GLY A 220 3.813 -13.727 7.536 1.00 0.00 N ATOM 507 CA GLY A 220 3.636 -14.921 6.731 1.00 0.00 C ATOM 508 C GLY A 220 3.094 -14.614 5.349 1.00 0.00 C ATOM 509 O GLY A 220 3.802 -14.066 4.505 1.00 0.00 O ATOM 0 H GLY A 220 4.733 -13.632 7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 220 4.592 -15.437 6.637 1.00 0.00 H new ATOM 0 HA3 GLY A 220 2.955 -15.602 7.242 1.00 0.00 H new ATOM 513 N SER A 221 1.834 -14.970 5.117 1.00 0.00 N ATOM 514 CA SER A 221 1.199 -14.734 3.826 1.00 0.00 C ATOM 515 C SER A 221 2.016 -15.356 2.697 1.00 0.00 C ATOM 516 O SER A 221 1.958 -14.906 1.553 1.00 0.00 O ATOM 517 CB SER A 221 1.032 -13.233 3.582 1.00 0.00 C ATOM 518 OG SER A 221 -0.335 -12.890 3.435 1.00 0.00 O ATOM 0 H SER A 221 1.233 -15.423 5.806 1.00 0.00 H new ATOM 0 HA SER A 221 0.216 -15.204 3.842 1.00 0.00 H new ATOM 0 HB2 SER A 221 1.463 -12.676 4.414 1.00 0.00 H new ATOM 0 HB3 SER A 221 1.581 -12.944 2.686 1.00 0.00 H new ATOM 0 HG SER A 221 -0.416 -11.925 3.282 1.00 0.00 H new ATOM 524 N GLY A 222 2.778 -16.394 3.028 1.00 0.00 N ATOM 525 CA GLY A 222 3.597 -17.061 2.033 1.00 0.00 C ATOM 526 C GLY A 222 4.400 -18.206 2.616 1.00 0.00 C ATOM 527 O GLY A 222 4.078 -19.379 2.426 1.00 0.00 O ATOM 0 H GLY A 222 2.843 -16.785 3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 222 2.958 -17.439 1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 222 4.276 -16.338 1.582 1.00 0.00 H new ATOM 531 N PRO A 223 5.476 -17.870 3.343 1.00 0.00 N ATOM 532 CA PRO A 223 6.351 -18.865 3.970 1.00 0.00 C ATOM 533 C PRO A 223 5.672 -19.587 5.128 1.00 0.00 C ATOM 534 O PRO A 223 4.525 -19.294 5.468 1.00 0.00 O ATOM 535 CB PRO A 223 7.530 -18.031 4.477 1.00 0.00 C ATOM 536 CG PRO A 223 6.971 -16.664 4.672 1.00 0.00 C ATOM 537 CD PRO A 223 5.919 -16.491 3.611 1.00 0.00 C ATOM 0 HA PRO A 223 6.637 -19.653 3.273 1.00 0.00 H new ATOM 0 HB2 PRO A 223 7.927 -18.433 5.409 1.00 0.00 H new ATOM 0 HB3 PRO A 223 8.349 -18.025 3.758 1.00 0.00 H new ATOM 0 HG2 PRO A 223 6.542 -16.556 5.668 1.00 0.00 H new ATOM 0 HG3 PRO A 223 7.749 -15.907 4.577 1.00 0.00 H new ATOM 0 HD2 PRO A 223 5.097 -15.865 3.958 1.00 0.00 H new ATOM 0 HD3 PRO A 223 6.324 -16.018 2.717 1.00 0.00 H new ATOM 545 N SER A 224 6.386 -20.532 5.732 1.00 0.00 N ATOM 546 CA SER A 224 5.850 -21.298 6.850 1.00 0.00 C ATOM 547 C SER A 224 6.290 -20.696 8.181 1.00 0.00 C ATOM 548 O SER A 224 7.414 -20.211 8.315 1.00 0.00 O ATOM 549 CB SER A 224 6.306 -22.756 6.762 1.00 0.00 C ATOM 550 OG SER A 224 5.310 -23.565 6.161 1.00 0.00 O ATOM 0 H SER A 224 7.337 -20.785 5.465 1.00 0.00 H new ATOM 0 HA SER A 224 4.762 -21.261 6.796 1.00 0.00 H new ATOM 0 HB2 SER A 224 7.228 -22.818 6.183 1.00 0.00 H new ATOM 0 HB3 SER A 224 6.531 -23.131 7.760 1.00 0.00 H new ATOM 0 HG SER A 224 5.625 -24.492 6.114 1.00 0.00 H new ATOM 556 N SER A 225 5.396 -20.732 9.164 1.00 0.00 N ATOM 557 CA SER A 225 5.689 -20.187 10.485 1.00 0.00 C ATOM 558 C SER A 225 6.498 -21.179 11.314 1.00 0.00 C ATOM 559 O SER A 225 7.470 -20.809 11.972 1.00 0.00 O ATOM 560 CB SER A 225 4.392 -19.834 11.214 1.00 0.00 C ATOM 561 OG SER A 225 3.810 -20.983 11.804 1.00 0.00 O ATOM 0 H SER A 225 4.463 -21.133 9.071 1.00 0.00 H new ATOM 0 HA SER A 225 6.281 -19.281 10.354 1.00 0.00 H new ATOM 0 HB2 SER A 225 4.595 -19.089 11.984 1.00 0.00 H new ATOM 0 HB3 SER A 225 3.688 -19.385 10.513 1.00 0.00 H new ATOM 0 HG SER A 225 2.983 -20.731 12.265 1.00 0.00 H new ATOM 567 N GLY A 226 6.088 -22.443 11.279 1.00 0.00 N ATOM 568 CA GLY A 226 6.785 -23.471 12.031 1.00 0.00 C ATOM 569 C GLY A 226 6.954 -23.105 13.493 1.00 0.00 C ATOM 570 O GLY A 226 6.696 -23.944 14.354 1.00 0.00 O ATOM 0 H GLY A 226 5.286 -22.774 10.743 1.00 0.00 H new ATOM 0 HA2 GLY A 226 6.234 -24.409 11.956 1.00 0.00 H new ATOM 0 HA3 GLY A 226 7.766 -23.641 11.586 1.00 0.00 H new TER 574 GLY A 226 HETATM 575 ZN ZN A 301 4.038 -3.146 4.822 1.00 0.00 ZN