USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=10 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 Set 1.1: A 187 CYS SG : rot -34:sc= -0.347 USER MOD Set 1.2: A 204 HIS : no HE2:sc= -0.027 K(o=0.15,f=-4.5!) USER MOD Set 1.3: A 207 HIS : no HD1:sc= 0.521 K(o=0.15,f=-3.1) USER MOD Set 2.1: A 175 CYS SG : rot -129:sc= 0.159 USER MOD Set 2.2: A 178 HIS : no HE2:sc= -3.79! C(o=-2.7!,f=-3.5!) USER MOD Set 2.3: A 195 CYS SG : rot 140:sc= 0.804 USER MOD Set 2.4: A 198 CYS SG : rot 129:sc= 0.166 USER MOD Single : A 174 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 185 MET CE :methyl 158:sc= -0.0263 (180deg=-0.14) USER MOD Single : A 186 TYR OH : rot 0:sc= -1.64! USER MOD Single : A 189 THR OG1 : rot 180:sc= 0.0666 USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 199 LYS NZ :NH3+ -131:sc= -0.309 (180deg=-2.59!) USER MOD Single : A 208 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 98 N MET A 174 16.530 5.379 -2.122 1.00 42.03 N ATOM 99 CA MET A 174 17.390 4.880 -1.055 1.00 34.11 C ATOM 100 C MET A 174 18.809 4.650 -1.564 1.00 1.53 C ATOM 101 O MET A 174 19.114 5.036 -2.692 1.00 61.41 O ATOM 102 CB MET A 174 16.824 3.579 -0.482 1.00 65.42 C ATOM 103 CG MET A 174 15.426 3.726 0.095 1.00 61.35 C ATOM 104 SD MET A 174 14.204 2.734 -0.785 1.00 54.31 S ATOM 105 CE MET A 174 13.058 2.356 0.538 1.00 21.01 C ATOM 0 HA MET A 174 17.423 5.632 -0.267 1.00 34.11 H new ATOM 0 HB2 MET A 174 16.806 2.823 -1.267 1.00 65.42 H new ATOM 0 HB3 MET A 174 17.493 3.214 0.297 1.00 65.42 H new ATOM 0 HG2 MET A 174 15.438 3.434 1.145 1.00 61.35 H new ATOM 0 HG3 MET A 174 15.131 4.775 0.060 1.00 61.35 H new ATOM 0 HE1 MET A 174 12.243 1.745 0.150 1.00 21.01 H new ATOM 0 HE2 MET A 174 13.578 1.809 1.325 1.00 21.01 H new ATOM 0 HE3 MET A 174 12.655 3.283 0.946 1.00 21.01 H new ATOM 115 N CYS A 175 19.637 4.035 -0.732 1.00 64.00 N ATOM 116 CA CYS A 175 21.014 3.764 -1.111 1.00 33.20 C ATOM 117 C CYS A 175 21.087 2.340 -1.668 1.00 12.32 C ATOM 118 O CYS A 175 20.212 1.503 -1.440 1.00 42.22 O ATOM 119 CB CYS A 175 21.973 3.967 0.062 1.00 4.24 C ATOM 120 SG CYS A 175 23.478 4.843 -0.503 1.00 75.01 S ATOM 0 H CYS A 175 19.381 3.717 0.203 1.00 64.00 H new ATOM 0 HA CYS A 175 21.329 4.471 -1.879 1.00 33.20 H new ATOM 0 HB2 CYS A 175 21.482 4.540 0.848 1.00 4.24 H new ATOM 0 HB3 CYS A 175 22.244 3.003 0.492 1.00 4.24 H new ATOM 0 HG CYS A 175 24.532 4.191 -0.112 1.00 75.01 H new ATOM 125 N LEU A 176 22.159 2.082 -2.408 1.00 62.54 N ATOM 126 CA LEU A 176 22.374 0.770 -3.011 1.00 3.20 C ATOM 127 C LEU A 176 22.557 -0.298 -1.938 1.00 34.12 C ATOM 128 O LEU A 176 21.836 -1.296 -1.914 1.00 22.33 O ATOM 129 CB LEU A 176 23.599 0.803 -3.926 1.00 55.24 C ATOM 130 CG LEU A 176 23.347 1.246 -5.369 1.00 1.10 C ATOM 131 CD1 LEU A 176 24.371 2.287 -5.794 1.00 61.14 C ATOM 132 CD2 LEU A 176 23.379 0.049 -6.308 1.00 33.14 C ATOM 0 H LEU A 176 22.893 2.763 -2.605 1.00 62.54 H new ATOM 0 HA LEU A 176 21.493 0.519 -3.601 1.00 3.20 H new ATOM 0 HB2 LEU A 176 24.339 1.472 -3.486 1.00 55.24 H new ATOM 0 HB3 LEU A 176 24.041 -0.193 -3.945 1.00 55.24 H new ATOM 0 HG LEU A 176 22.356 1.698 -5.422 1.00 1.10 H new ATOM 0 HD11 LEU A 176 24.176 2.590 -6.823 1.00 61.14 H new ATOM 0 HD12 LEU A 176 24.300 3.156 -5.140 1.00 61.14 H new ATOM 0 HD13 LEU A 176 25.372 1.862 -5.724 1.00 61.14 H new ATOM 0 HD21 LEU A 176 23.198 0.383 -7.330 1.00 33.14 H new ATOM 0 HD22 LEU A 176 24.355 -0.432 -6.251 1.00 33.14 H new ATOM 0 HD23 LEU A 176 22.607 -0.663 -6.017 1.00 33.14 H new ATOM 144 N GLU A 177 23.523 -0.081 -1.051 1.00 0.40 N ATOM 145 CA GLU A 177 23.798 -1.026 0.025 1.00 11.13 C ATOM 146 C GLU A 177 22.879 -0.774 1.218 1.00 2.20 C ATOM 147 O GLU A 177 22.486 -1.705 1.921 1.00 73.21 O ATOM 148 CB GLU A 177 25.260 -0.923 0.463 1.00 64.33 C ATOM 149 CG GLU A 177 26.061 -2.190 0.213 1.00 11.33 C ATOM 150 CD GLU A 177 27.554 -1.978 0.373 1.00 11.24 C ATOM 151 OE1 GLU A 177 28.057 -0.936 -0.096 1.00 3.12 O ATOM 152 OE2 GLU A 177 28.217 -2.852 0.967 1.00 64.51 O ATOM 0 H GLU A 177 24.128 0.740 -1.056 1.00 0.40 H new ATOM 0 HA GLU A 177 23.609 -2.031 -0.352 1.00 11.13 H new ATOM 0 HB2 GLU A 177 25.732 -0.095 -0.066 1.00 64.33 H new ATOM 0 HB3 GLU A 177 25.296 -0.684 1.526 1.00 64.33 H new ATOM 0 HG2 GLU A 177 25.732 -2.966 0.904 1.00 11.33 H new ATOM 0 HG3 GLU A 177 25.855 -2.553 -0.794 1.00 11.33 H new ATOM 159 N HIS A 178 22.542 0.493 1.441 1.00 74.31 N ATOM 160 CA HIS A 178 21.671 0.868 2.549 1.00 61.42 C ATOM 161 C HIS A 178 20.221 0.972 2.089 1.00 15.31 C ATOM 162 O HIS A 178 19.635 2.055 2.090 1.00 21.20 O ATOM 163 CB HIS A 178 22.123 2.198 3.152 1.00 4.35 C ATOM 164 CG HIS A 178 23.594 2.260 3.431 1.00 31.33 C ATOM 165 ND1 HIS A 178 24.481 2.960 2.642 1.00 13.51 N ATOM 166 CD2 HIS A 178 24.331 1.705 4.422 1.00 60.34 C ATOM 167 CE1 HIS A 178 25.701 2.832 3.133 1.00 20.52 C ATOM 168 NE2 HIS A 178 25.637 2.075 4.214 1.00 63.44 N ATOM 0 H HIS A 178 22.859 1.276 0.869 1.00 74.31 H new ATOM 0 HA HIS A 178 21.737 0.091 3.310 1.00 61.42 H new ATOM 0 HB2 HIS A 178 21.856 3.006 2.470 1.00 4.35 H new ATOM 0 HB3 HIS A 178 21.578 2.371 4.080 1.00 4.35 H new ATOM 0 HD1 HIS A 178 24.234 3.494 1.809 1.00 13.51 H new ATOM 0 HD2 HIS A 178 23.961 1.087 5.226 1.00 60.34 H new ATOM 0 HE1 HIS A 178 26.598 3.271 2.721 1.00 20.52 H new ATOM 175 N GLU A 179 19.646 -0.161 1.696 1.00 44.31 N ATOM 176 CA GLU A 179 18.264 -0.196 1.232 1.00 43.34 C ATOM 177 C GLU A 179 17.313 0.295 2.318 1.00 23.25 C ATOM 178 O GLU A 179 16.243 0.830 2.026 1.00 13.13 O ATOM 179 CB GLU A 179 17.882 -1.615 0.805 1.00 50.32 C ATOM 180 CG GLU A 179 18.259 -2.678 1.822 1.00 64.40 C ATOM 181 CD GLU A 179 17.170 -3.715 2.014 1.00 63.14 C ATOM 182 OE1 GLU A 179 16.955 -4.527 1.088 1.00 3.32 O ATOM 183 OE2 GLU A 179 16.533 -3.717 3.087 1.00 1.23 O ATOM 0 H GLU A 179 20.116 -1.066 1.690 1.00 44.31 H new ATOM 0 HA GLU A 179 18.179 0.469 0.372 1.00 43.34 H new ATOM 0 HB2 GLU A 179 16.807 -1.656 0.631 1.00 50.32 H new ATOM 0 HB3 GLU A 179 18.368 -1.843 -0.144 1.00 50.32 H new ATOM 0 HG2 GLU A 179 19.175 -3.174 1.501 1.00 64.40 H new ATOM 0 HG3 GLU A 179 18.473 -2.201 2.778 1.00 64.40 H new ATOM 190 N ASP A 180 17.709 0.108 3.572 1.00 4.55 N ATOM 191 CA ASP A 180 16.893 0.531 4.705 1.00 45.34 C ATOM 192 C ASP A 180 17.286 1.931 5.164 1.00 11.44 C ATOM 193 O ASP A 180 17.253 2.235 6.356 1.00 11.50 O ATOM 194 CB ASP A 180 17.037 -0.458 5.862 1.00 33.31 C ATOM 195 CG ASP A 180 15.727 -0.694 6.588 1.00 52.21 C ATOM 196 OD1 ASP A 180 14.979 0.286 6.794 1.00 23.44 O ATOM 197 OD2 ASP A 180 15.449 -1.856 6.951 1.00 42.11 O ATOM 0 H ASP A 180 18.591 -0.334 3.830 1.00 4.55 H new ATOM 0 HA ASP A 180 15.852 0.552 4.384 1.00 45.34 H new ATOM 0 HB2 ASP A 180 17.414 -1.407 5.480 1.00 33.31 H new ATOM 0 HB3 ASP A 180 17.778 -0.082 6.568 1.00 33.31 H new ATOM 202 N GLU A 181 17.658 2.779 4.210 1.00 14.51 N ATOM 203 CA GLU A 181 18.058 4.147 4.520 1.00 42.24 C ATOM 204 C GLU A 181 17.423 5.134 3.544 1.00 40.34 C ATOM 205 O GLU A 181 16.751 4.738 2.591 1.00 35.05 O ATOM 206 CB GLU A 181 19.582 4.278 4.474 1.00 51.13 C ATOM 207 CG GLU A 181 20.243 4.177 5.838 1.00 2.14 C ATOM 208 CD GLU A 181 21.181 5.336 6.120 1.00 72.41 C ATOM 209 OE1 GLU A 181 21.753 5.884 5.155 1.00 23.42 O ATOM 210 OE2 GLU A 181 21.341 5.693 7.306 1.00 51.41 O ATOM 0 H GLU A 181 17.691 2.544 3.218 1.00 14.51 H new ATOM 0 HA GLU A 181 17.709 4.382 5.526 1.00 42.24 H new ATOM 0 HB2 GLU A 181 19.986 3.500 3.826 1.00 51.13 H new ATOM 0 HB3 GLU A 181 19.842 5.236 4.023 1.00 51.13 H new ATOM 0 HG2 GLU A 181 19.473 4.142 6.609 1.00 2.14 H new ATOM 0 HG3 GLU A 181 20.799 3.241 5.900 1.00 2.14 H new ATOM 217 N LYS A 182 17.640 6.422 3.789 1.00 65.32 N ATOM 218 CA LYS A 182 17.090 7.467 2.934 1.00 72.51 C ATOM 219 C LYS A 182 18.163 8.484 2.558 1.00 32.42 C ATOM 220 O LYS A 182 18.668 9.213 3.413 1.00 60.45 O ATOM 221 CB LYS A 182 15.929 8.172 3.638 1.00 53.12 C ATOM 222 CG LYS A 182 14.647 8.194 2.823 1.00 11.23 C ATOM 223 CD LYS A 182 13.418 8.144 3.715 1.00 31.22 C ATOM 224 CE LYS A 182 12.520 6.969 3.360 1.00 20.52 C ATOM 225 NZ LYS A 182 11.784 6.454 4.549 1.00 25.13 N ATOM 0 H LYS A 182 18.193 6.767 4.573 1.00 65.32 H new ATOM 0 HA LYS A 182 16.723 6.998 2.021 1.00 72.51 H new ATOM 0 HB2 LYS A 182 15.737 7.676 4.589 1.00 53.12 H new ATOM 0 HB3 LYS A 182 16.222 9.197 3.867 1.00 53.12 H new ATOM 0 HG2 LYS A 182 14.618 9.097 2.213 1.00 11.23 H new ATOM 0 HG3 LYS A 182 14.635 7.346 2.138 1.00 11.23 H new ATOM 0 HD2 LYS A 182 13.727 8.066 4.757 1.00 31.22 H new ATOM 0 HD3 LYS A 182 12.858 9.074 3.617 1.00 31.22 H new ATOM 0 HE2 LYS A 182 11.806 7.276 2.596 1.00 20.52 H new ATOM 0 HE3 LYS A 182 13.122 6.168 2.931 1.00 20.52 H new ATOM 0 HZ1 LYS A 182 11.183 5.654 4.266 1.00 25.13 H new ATOM 0 HZ2 LYS A 182 12.465 6.138 5.269 1.00 25.13 H new ATOM 0 HZ3 LYS A 182 11.190 7.211 4.944 1.00 25.13 H new ATOM 239 N VAL A 183 18.507 8.529 1.275 1.00 34.22 N ATOM 240 CA VAL A 183 19.517 9.460 0.786 1.00 61.50 C ATOM 241 C VAL A 183 19.217 10.884 1.238 1.00 31.00 C ATOM 242 O VAL A 183 18.089 11.203 1.611 1.00 33.22 O ATOM 243 CB VAL A 183 19.611 9.429 -0.751 1.00 45.51 C ATOM 244 CG1 VAL A 183 20.210 8.113 -1.224 1.00 14.33 C ATOM 245 CG2 VAL A 183 18.242 9.656 -1.373 1.00 11.15 C ATOM 0 H VAL A 183 18.101 7.931 0.555 1.00 34.22 H new ATOM 0 HA VAL A 183 20.471 9.142 1.207 1.00 61.50 H new ATOM 0 HB VAL A 183 20.269 10.236 -1.073 1.00 45.51 H new ATOM 0 HG11 VAL A 183 20.268 8.110 -2.312 1.00 14.33 H new ATOM 0 HG12 VAL A 183 21.210 7.998 -0.807 1.00 14.33 H new ATOM 0 HG13 VAL A 183 19.581 7.287 -0.892 1.00 14.33 H new ATOM 0 HG21 VAL A 183 18.327 9.631 -2.459 1.00 11.15 H new ATOM 0 HG22 VAL A 183 17.559 8.873 -1.044 1.00 11.15 H new ATOM 0 HG23 VAL A 183 17.857 10.627 -1.062 1.00 11.15 H new ATOM 255 N ASN A 184 20.235 11.738 1.200 1.00 14.22 N ATOM 256 CA ASN A 184 20.080 13.131 1.606 1.00 73.51 C ATOM 257 C ASN A 184 20.479 14.073 0.475 1.00 12.35 C ATOM 258 O ASN A 184 19.841 15.103 0.258 1.00 10.52 O ATOM 259 CB ASN A 184 20.925 13.418 2.849 1.00 51.34 C ATOM 260 CG ASN A 184 20.313 12.843 4.111 1.00 74.42 C ATOM 261 OD1 ASN A 184 20.238 11.626 4.279 1.00 61.43 O ATOM 262 ND2 ASN A 184 19.869 13.718 5.006 1.00 4.22 N ATOM 0 H ASN A 184 21.175 11.490 0.892 1.00 14.22 H new ATOM 0 HA ASN A 184 19.030 13.301 1.843 1.00 73.51 H new ATOM 0 HB2 ASN A 184 21.923 13.002 2.710 1.00 51.34 H new ATOM 0 HB3 ASN A 184 21.042 14.496 2.964 1.00 51.34 H new ATOM 0 HD21 ASN A 184 19.446 13.390 5.874 1.00 4.22 H new ATOM 0 HD22 ASN A 184 19.951 14.719 4.826 1.00 4.22 H new ATOM 269 N MET A 185 21.539 13.713 -0.241 1.00 53.54 N ATOM 270 CA MET A 185 22.022 14.528 -1.351 1.00 11.12 C ATOM 271 C MET A 185 22.817 13.681 -2.341 1.00 14.00 C ATOM 272 O MET A 185 22.819 12.452 -2.259 1.00 53.33 O ATOM 273 CB MET A 185 22.892 15.674 -0.830 1.00 31.33 C ATOM 274 CG MET A 185 22.434 17.045 -1.299 1.00 42.20 C ATOM 275 SD MET A 185 21.469 17.920 -0.053 1.00 21.22 S ATOM 276 CE MET A 185 19.920 18.149 -0.923 1.00 45.42 C ATOM 0 H MET A 185 22.079 12.864 -0.073 1.00 53.54 H new ATOM 0 HA MET A 185 21.157 14.944 -1.867 1.00 11.12 H new ATOM 0 HB2 MET A 185 22.892 15.653 0.260 1.00 31.33 H new ATOM 0 HB3 MET A 185 23.921 15.514 -1.152 1.00 31.33 H new ATOM 0 HG2 MET A 185 23.305 17.644 -1.564 1.00 42.20 H new ATOM 0 HG3 MET A 185 21.836 16.934 -2.204 1.00 42.20 H new ATOM 0 HE1 MET A 185 19.118 18.307 -0.202 1.00 45.42 H new ATOM 0 HE2 MET A 185 19.995 19.017 -1.578 1.00 45.42 H new ATOM 0 HE3 MET A 185 19.703 17.263 -1.519 1.00 45.42 H new ATOM 286 N TYR A 186 23.489 14.345 -3.274 1.00 2.21 N ATOM 287 CA TYR A 186 24.285 13.653 -4.281 1.00 2.02 C ATOM 288 C TYR A 186 25.661 14.296 -4.423 1.00 30.51 C ATOM 289 O TYR A 186 25.759 15.522 -4.408 1.00 71.24 O ATOM 290 CB TYR A 186 23.562 13.664 -5.629 1.00 41.41 C ATOM 291 CG TYR A 186 24.100 14.694 -6.596 1.00 44.12 C ATOM 292 CD1 TYR A 186 23.776 16.038 -6.462 1.00 62.40 C ATOM 293 CD2 TYR A 186 24.936 14.322 -7.642 1.00 51.45 C ATOM 294 CE1 TYR A 186 24.265 16.982 -7.344 1.00 53.53 C ATOM 295 CE2 TYR A 186 25.431 15.260 -8.529 1.00 33.05 C ATOM 296 CZ TYR A 186 25.092 16.589 -8.376 1.00 22.22 C ATOM 297 OH TYR A 186 25.582 17.526 -9.255 1.00 41.20 O ATOM 0 H TYR A 186 23.499 15.362 -3.354 1.00 2.21 H new ATOM 0 HA TYR A 186 24.418 12.621 -3.957 1.00 2.02 H new ATOM 0 HB2 TYR A 186 23.641 12.676 -6.082 1.00 41.41 H new ATOM 0 HB3 TYR A 186 22.502 13.854 -5.462 1.00 41.41 H new ATOM 0 HD1 TYR A 186 23.131 16.350 -5.654 1.00 62.40 H new ATOM 0 HD2 TYR A 186 25.203 13.283 -7.764 1.00 51.45 H new ATOM 0 HE1 TYR A 186 24.001 18.023 -7.226 1.00 53.53 H new ATOM 0 HE2 TYR A 186 26.079 14.954 -9.337 1.00 33.05 H new ATOM 0 HH TYR A 186 25.249 18.414 -9.006 1.00 41.20 H new ATOM 307 N CYS A 187 26.683 13.463 -4.556 1.00 42.24 N ATOM 308 CA CYS A 187 28.041 13.961 -4.701 1.00 75.45 C ATOM 309 C CYS A 187 28.193 14.537 -6.111 1.00 71.10 C ATOM 310 O CYS A 187 28.120 13.831 -7.116 1.00 23.21 O ATOM 311 CB CYS A 187 29.076 12.872 -4.414 1.00 41.15 C ATOM 312 SG CYS A 187 29.955 13.241 -2.852 1.00 65.41 S ATOM 0 H CYS A 187 26.598 12.447 -4.566 1.00 42.24 H new ATOM 0 HA CYS A 187 28.224 14.746 -3.967 1.00 75.45 H new ATOM 0 HB2 CYS A 187 28.585 11.901 -4.344 1.00 41.15 H new ATOM 0 HB3 CYS A 187 29.789 12.810 -5.236 1.00 41.15 H new ATOM 0 HG CYS A 187 30.075 14.528 -2.715 1.00 65.41 H new ATOM 317 N VAL A 188 28.409 15.848 -6.162 1.00 23.34 N ATOM 318 CA VAL A 188 28.578 16.546 -7.430 1.00 64.55 C ATOM 319 C VAL A 188 29.946 16.257 -8.039 1.00 13.14 C ATOM 320 O VAL A 188 30.107 16.249 -9.259 1.00 73.43 O ATOM 321 CB VAL A 188 28.415 18.068 -7.259 1.00 61.54 C ATOM 322 CG1 VAL A 188 28.383 18.757 -8.615 1.00 12.02 C ATOM 323 CG2 VAL A 188 27.159 18.382 -6.462 1.00 3.15 C ATOM 0 H VAL A 188 28.471 16.448 -5.339 1.00 23.34 H new ATOM 0 HA VAL A 188 27.801 16.178 -8.100 1.00 64.55 H new ATOM 0 HB VAL A 188 29.273 18.449 -6.705 1.00 61.54 H new ATOM 0 HG11 VAL A 188 28.267 19.832 -8.474 1.00 12.02 H new ATOM 0 HG12 VAL A 188 29.314 18.559 -9.146 1.00 12.02 H new ATOM 0 HG13 VAL A 188 27.545 18.375 -9.198 1.00 12.02 H new ATOM 0 HG21 VAL A 188 27.059 19.462 -6.351 1.00 3.15 H new ATOM 0 HG22 VAL A 188 26.288 17.989 -6.986 1.00 3.15 H new ATOM 0 HG23 VAL A 188 27.228 17.920 -5.477 1.00 3.15 H new ATOM 333 N THR A 189 30.932 16.020 -7.179 1.00 32.15 N ATOM 334 CA THR A 189 32.287 15.732 -7.630 1.00 45.21 C ATOM 335 C THR A 189 32.333 14.449 -8.451 1.00 73.55 C ATOM 336 O THR A 189 32.787 14.448 -9.595 1.00 43.43 O ATOM 337 CB THR A 189 33.260 15.603 -6.443 1.00 63.22 C ATOM 338 OG1 THR A 189 32.563 15.121 -5.289 1.00 10.25 O ATOM 339 CG2 THR A 189 33.909 16.942 -6.127 1.00 11.22 C ATOM 0 H THR A 189 30.817 16.022 -6.166 1.00 32.15 H new ATOM 0 HA THR A 189 32.596 16.571 -8.254 1.00 45.21 H new ATOM 0 HB THR A 189 34.041 14.894 -6.718 1.00 63.22 H new ATOM 0 HG1 THR A 189 33.189 15.040 -4.539 1.00 10.25 H new ATOM 0 HG21 THR A 189 34.592 16.826 -5.285 1.00 11.22 H new ATOM 0 HG22 THR A 189 34.463 17.292 -6.998 1.00 11.22 H new ATOM 0 HG23 THR A 189 33.138 17.669 -5.871 1.00 11.22 H new ATOM 347 N ASP A 190 31.859 13.357 -7.862 1.00 13.25 N ATOM 348 CA ASP A 190 31.843 12.067 -8.540 1.00 32.23 C ATOM 349 C ASP A 190 30.534 11.865 -9.295 1.00 72.04 C ATOM 350 O ASP A 190 30.363 10.877 -10.010 1.00 21.33 O ATOM 351 CB ASP A 190 32.044 10.934 -7.531 1.00 73.22 C ATOM 352 CG ASP A 190 32.983 11.321 -6.406 1.00 61.54 C ATOM 353 OD1 ASP A 190 34.213 11.216 -6.597 1.00 51.23 O ATOM 354 OD2 ASP A 190 32.490 11.727 -5.333 1.00 74.21 O ATOM 0 H ASP A 190 31.480 13.340 -6.915 1.00 13.25 H new ATOM 0 HA ASP A 190 32.662 12.053 -9.259 1.00 32.23 H new ATOM 0 HB2 ASP A 190 31.079 10.648 -7.113 1.00 73.22 H new ATOM 0 HB3 ASP A 190 32.440 10.059 -8.046 1.00 73.22 H new ATOM 359 N ASP A 191 29.611 12.807 -9.131 1.00 70.13 N ATOM 360 CA ASP A 191 28.316 12.733 -9.798 1.00 2.14 C ATOM 361 C ASP A 191 27.600 11.431 -9.453 1.00 1.35 C ATOM 362 O ASP A 191 27.132 10.716 -10.338 1.00 14.53 O ATOM 363 CB ASP A 191 28.492 12.847 -11.312 1.00 53.44 C ATOM 364 CG ASP A 191 27.194 13.183 -12.022 1.00 33.13 C ATOM 365 OD1 ASP A 191 26.564 14.197 -11.655 1.00 55.14 O ATOM 366 OD2 ASP A 191 26.809 12.432 -12.942 1.00 42.33 O ATOM 0 H ASP A 191 29.736 13.630 -8.542 1.00 70.13 H new ATOM 0 HA ASP A 191 27.706 13.565 -9.447 1.00 2.14 H new ATOM 0 HB2 ASP A 191 29.233 13.616 -11.532 1.00 53.44 H new ATOM 0 HB3 ASP A 191 28.883 11.907 -11.701 1.00 53.44 H new ATOM 371 N GLN A 192 27.522 11.130 -8.160 1.00 74.21 N ATOM 372 CA GLN A 192 26.865 9.913 -7.699 1.00 71.34 C ATOM 373 C GLN A 192 26.128 10.156 -6.386 1.00 74.23 C ATOM 374 O GLN A 192 26.705 10.659 -5.421 1.00 54.25 O ATOM 375 CB GLN A 192 27.889 8.791 -7.521 1.00 71.51 C ATOM 376 CG GLN A 192 27.268 7.453 -7.152 1.00 64.32 C ATOM 377 CD GLN A 192 27.073 6.549 -8.354 1.00 32.31 C ATOM 378 OE1 GLN A 192 26.308 6.865 -9.265 1.00 42.53 O ATOM 379 NE2 GLN A 192 27.766 5.417 -8.361 1.00 72.34 N ATOM 0 H GLN A 192 27.905 11.712 -7.415 1.00 74.21 H new ATOM 0 HA GLN A 192 26.137 9.615 -8.454 1.00 71.34 H new ATOM 0 HB2 GLN A 192 28.455 8.677 -8.446 1.00 71.51 H new ATOM 0 HB3 GLN A 192 28.599 9.078 -6.746 1.00 71.51 H new ATOM 0 HG2 GLN A 192 27.904 6.950 -6.423 1.00 64.32 H new ATOM 0 HG3 GLN A 192 26.305 7.624 -6.671 1.00 64.32 H new ATOM 0 HE21 GLN A 192 28.389 5.195 -7.584 1.00 72.34 H new ATOM 0 HE22 GLN A 192 27.676 4.769 -9.143 1.00 72.34 H new ATOM 388 N LEU A 193 24.849 9.798 -6.357 1.00 34.24 N ATOM 389 CA LEU A 193 24.031 9.977 -5.162 1.00 11.21 C ATOM 390 C LEU A 193 24.716 9.379 -3.938 1.00 2.14 C ATOM 391 O LEU A 193 25.484 8.423 -4.049 1.00 73.22 O ATOM 392 CB LEU A 193 22.657 9.332 -5.357 1.00 63.14 C ATOM 393 CG LEU A 193 21.451 10.200 -4.999 1.00 13.23 C ATOM 394 CD1 LEU A 193 20.216 9.736 -5.757 1.00 32.05 C ATOM 395 CD2 LEU A 193 21.201 10.171 -3.498 1.00 73.44 C ATOM 0 H LEU A 193 24.356 9.382 -7.147 1.00 34.24 H new ATOM 0 HA LEU A 193 23.903 11.047 -4.998 1.00 11.21 H new ATOM 0 HB2 LEU A 193 22.565 9.030 -6.400 1.00 63.14 H new ATOM 0 HB3 LEU A 193 22.616 8.423 -4.757 1.00 63.14 H new ATOM 0 HG LEU A 193 21.666 11.228 -5.291 1.00 13.23 H new ATOM 0 HD11 LEU A 193 19.367 10.365 -5.490 1.00 32.05 H new ATOM 0 HD12 LEU A 193 20.398 9.809 -6.829 1.00 32.05 H new ATOM 0 HD13 LEU A 193 19.996 8.701 -5.496 1.00 32.05 H new ATOM 0 HD21 LEU A 193 20.339 10.794 -3.261 1.00 73.44 H new ATOM 0 HD22 LEU A 193 21.006 9.146 -3.181 1.00 73.44 H new ATOM 0 HD23 LEU A 193 22.079 10.552 -2.976 1.00 73.44 H new ATOM 407 N ILE A 194 24.434 9.948 -2.771 1.00 13.34 N ATOM 408 CA ILE A 194 25.021 9.469 -1.525 1.00 62.43 C ATOM 409 C ILE A 194 24.156 9.848 -0.328 1.00 51.51 C ATOM 410 O ILE A 194 23.587 10.939 -0.318 1.00 72.51 O ATOM 411 CB ILE A 194 26.440 10.032 -1.320 1.00 34.54 C ATOM 412 CG1 ILE A 194 26.500 11.496 -1.761 1.00 60.33 C ATOM 413 CG2 ILE A 194 27.456 9.199 -2.086 1.00 4.51 C ATOM 414 CD1 ILE A 194 27.352 12.363 -0.861 1.00 42.44 C ATOM 0 H ILE A 194 23.802 10.742 -2.662 1.00 13.34 H new ATOM 0 HA ILE A 194 25.077 8.383 -1.598 1.00 62.43 H new ATOM 0 HB ILE A 194 26.685 9.982 -0.259 1.00 34.54 H new ATOM 0 HG12 ILE A 194 26.892 11.545 -2.777 1.00 60.33 H new ATOM 0 HG13 ILE A 194 25.488 11.900 -1.790 1.00 60.33 H new ATOM 0 HG21 ILE A 194 28.454 9.609 -1.931 1.00 4.51 H new ATOM 0 HG22 ILE A 194 27.427 8.170 -1.728 1.00 4.51 H new ATOM 0 HG23 ILE A 194 27.216 9.220 -3.149 1.00 4.51 H new ATOM 0 HD11 ILE A 194 27.349 13.387 -1.234 1.00 42.44 H new ATOM 0 HD12 ILE A 194 26.948 12.344 0.151 1.00 42.44 H new ATOM 0 HD13 ILE A 194 28.374 11.983 -0.851 1.00 42.44 H new ATOM 426 N CYS A 195 24.079 8.952 0.645 1.00 51.21 N ATOM 427 CA CYS A 195 23.286 9.206 1.835 1.00 14.12 C ATOM 428 C CYS A 195 24.220 9.708 2.937 1.00 34.03 C ATOM 429 O CYS A 195 25.414 9.927 2.731 1.00 30.43 O ATOM 430 CB CYS A 195 22.506 7.964 2.270 1.00 62.22 C ATOM 431 SG CYS A 195 23.664 6.660 2.826 1.00 71.34 S ATOM 0 H CYS A 195 24.553 8.049 0.633 1.00 51.21 H new ATOM 0 HA CYS A 195 22.537 9.968 1.620 1.00 14.12 H new ATOM 0 HB2 CYS A 195 21.819 8.220 3.077 1.00 62.22 H new ATOM 0 HB3 CYS A 195 21.901 7.596 1.441 1.00 62.22 H new ATOM 0 HG CYS A 195 23.174 6.061 3.870 1.00 71.34 H new ATOM 436 N ALA A 196 23.645 9.888 4.122 1.00 31.21 N ATOM 437 CA ALA A 196 24.403 10.360 5.274 1.00 0.23 C ATOM 438 C ALA A 196 25.335 9.275 5.800 1.00 23.43 C ATOM 439 O ALA A 196 26.421 9.565 6.306 1.00 1.41 O ATOM 440 CB ALA A 196 23.458 10.824 6.373 1.00 33.11 C ATOM 0 H ALA A 196 22.657 9.714 4.309 1.00 31.21 H new ATOM 0 HA ALA A 196 25.014 11.204 4.954 1.00 0.23 H new ATOM 0 HB1 ALA A 196 24.037 11.174 7.227 1.00 33.11 H new ATOM 0 HB2 ALA A 196 22.836 11.637 5.999 1.00 33.11 H new ATOM 0 HB3 ALA A 196 22.823 9.994 6.681 1.00 33.11 H new ATOM 446 N LEU A 197 24.907 8.023 5.679 1.00 43.11 N ATOM 447 CA LEU A 197 25.704 6.892 6.143 1.00 45.43 C ATOM 448 C LEU A 197 26.928 6.690 5.256 1.00 64.24 C ATOM 449 O LEU A 197 27.903 6.085 5.703 1.00 13.34 O ATOM 450 CB LEU A 197 24.857 5.619 6.161 1.00 32.31 C ATOM 451 CG LEU A 197 25.091 4.675 7.342 1.00 71.34 C ATOM 452 CD1 LEU A 197 23.765 4.181 7.901 1.00 44.53 C ATOM 453 CD2 LEU A 197 25.964 3.501 6.921 1.00 52.42 C ATOM 0 H LEU A 197 24.012 7.765 5.263 1.00 43.11 H new ATOM 0 HA LEU A 197 26.043 7.109 7.156 1.00 45.43 H new ATOM 0 HB2 LEU A 197 23.805 5.906 6.153 1.00 32.31 H new ATOM 0 HB3 LEU A 197 25.044 5.069 5.239 1.00 32.31 H new ATOM 0 HG LEU A 197 25.610 5.226 8.126 1.00 71.34 H new ATOM 0 HD11 LEU A 197 23.951 3.511 8.740 1.00 44.53 H new ATOM 0 HD12 LEU A 197 23.174 5.032 8.240 1.00 44.53 H new ATOM 0 HD13 LEU A 197 23.219 3.646 7.124 1.00 44.53 H new ATOM 0 HD21 LEU A 197 26.120 2.840 7.773 1.00 52.42 H new ATOM 0 HD22 LEU A 197 25.471 2.950 6.120 1.00 52.42 H new ATOM 0 HD23 LEU A 197 26.926 3.871 6.568 1.00 52.42 H new ATOM 465 N CYS A 198 26.855 7.194 4.033 1.00 24.15 N ATOM 466 CA CYS A 198 27.962 7.064 3.102 1.00 25.12 C ATOM 467 C CYS A 198 28.996 8.143 3.429 1.00 11.43 C ATOM 468 O CYS A 198 30.204 7.958 3.285 1.00 22.43 O ATOM 469 CB CYS A 198 27.492 7.145 1.649 1.00 40.54 C ATOM 470 SG CYS A 198 26.874 5.514 1.097 1.00 52.40 S ATOM 0 H CYS A 198 26.045 7.694 3.665 1.00 24.15 H new ATOM 0 HA CYS A 198 28.419 6.080 3.213 1.00 25.12 H new ATOM 0 HB2 CYS A 198 26.704 7.892 1.555 1.00 40.54 H new ATOM 0 HB3 CYS A 198 28.314 7.466 1.010 1.00 40.54 H new ATOM 0 HG CYS A 198 25.697 5.654 0.562 1.00 52.40 H new ATOM 475 N LYS A 199 28.490 9.288 3.878 1.00 73.25 N ATOM 476 CA LYS A 199 29.343 10.414 4.236 1.00 40.44 C ATOM 477 C LYS A 199 30.003 10.187 5.592 1.00 22.52 C ATOM 478 O LYS A 199 30.968 10.867 5.946 1.00 74.12 O ATOM 479 CB LYS A 199 28.528 11.709 4.263 1.00 25.52 C ATOM 480 CG LYS A 199 28.058 12.162 2.892 1.00 20.52 C ATOM 481 CD LYS A 199 28.202 13.665 2.721 1.00 21.24 C ATOM 482 CE LYS A 199 26.890 14.385 2.992 1.00 23.44 C ATOM 483 NZ LYS A 199 26.716 15.572 2.110 1.00 31.05 N ATOM 0 H LYS A 199 27.492 9.459 4.002 1.00 73.25 H new ATOM 0 HA LYS A 199 30.125 10.500 3.481 1.00 40.44 H new ATOM 0 HB2 LYS A 199 27.660 11.568 4.907 1.00 25.52 H new ATOM 0 HB3 LYS A 199 29.132 12.499 4.710 1.00 25.52 H new ATOM 0 HG2 LYS A 199 28.635 11.650 2.121 1.00 20.52 H new ATOM 0 HG3 LYS A 199 27.015 11.877 2.752 1.00 20.52 H new ATOM 0 HD2 LYS A 199 28.970 14.038 3.399 1.00 21.24 H new ATOM 0 HD3 LYS A 199 28.537 13.887 1.708 1.00 21.24 H new ATOM 0 HE2 LYS A 199 26.059 13.695 2.841 1.00 23.44 H new ATOM 0 HE3 LYS A 199 26.857 14.700 4.035 1.00 23.44 H new ATOM 0 HZ1 LYS A 199 26.445 16.395 2.685 1.00 31.05 H new ATOM 0 HZ2 LYS A 199 27.610 15.773 1.618 1.00 31.05 H new ATOM 0 HZ3 LYS A 199 25.972 15.378 1.410 1.00 31.05 H new ATOM 497 N LEU A 200 29.479 9.227 6.346 1.00 61.00 N ATOM 498 CA LEU A 200 30.020 8.909 7.663 1.00 31.21 C ATOM 499 C LEU A 200 30.809 7.604 7.626 1.00 2.04 C ATOM 500 O LEU A 200 31.909 7.516 8.174 1.00 73.24 O ATOM 501 CB LEU A 200 28.889 8.805 8.689 1.00 63.00 C ATOM 502 CG LEU A 200 29.156 9.449 10.049 1.00 0.25 C ATOM 503 CD1 LEU A 200 29.282 10.958 9.910 1.00 2.41 C ATOM 504 CD2 LEU A 200 28.051 9.093 11.034 1.00 63.54 C ATOM 0 H LEU A 200 28.681 8.656 6.068 1.00 61.00 H new ATOM 0 HA LEU A 200 30.695 9.713 7.956 1.00 31.21 H new ATOM 0 HB2 LEU A 200 27.995 9.261 8.263 1.00 63.00 H new ATOM 0 HB3 LEU A 200 28.664 7.750 8.847 1.00 63.00 H new ATOM 0 HG LEU A 200 30.099 9.060 10.434 1.00 0.25 H new ATOM 0 HD11 LEU A 200 29.472 11.399 10.889 1.00 2.41 H new ATOM 0 HD12 LEU A 200 30.108 11.194 9.239 1.00 2.41 H new ATOM 0 HD13 LEU A 200 28.356 11.364 9.502 1.00 2.41 H new ATOM 0 HD21 LEU A 200 28.258 9.560 11.997 1.00 63.54 H new ATOM 0 HD22 LEU A 200 27.095 9.453 10.654 1.00 63.54 H new ATOM 0 HD23 LEU A 200 28.008 8.011 11.157 1.00 63.54 H new ATOM 516 N VAL A 201 30.243 6.592 6.977 1.00 53.55 N ATOM 517 CA VAL A 201 30.895 5.294 6.864 1.00 31.24 C ATOM 518 C VAL A 201 31.776 5.226 5.623 1.00 50.51 C ATOM 519 O VAL A 201 32.896 4.719 5.669 1.00 52.20 O ATOM 520 CB VAL A 201 29.865 4.151 6.811 1.00 32.25 C ATOM 521 CG1 VAL A 201 30.566 2.802 6.763 1.00 32.41 C ATOM 522 CG2 VAL A 201 28.922 4.229 8.003 1.00 34.40 C ATOM 0 H VAL A 201 29.332 6.647 6.521 1.00 53.55 H new ATOM 0 HA VAL A 201 31.515 5.174 7.753 1.00 31.24 H new ATOM 0 HB VAL A 201 29.274 4.259 5.901 1.00 32.25 H new ATOM 0 HG11 VAL A 201 29.822 2.006 6.726 1.00 32.41 H new ATOM 0 HG12 VAL A 201 31.196 2.751 5.875 1.00 32.41 H new ATOM 0 HG13 VAL A 201 31.183 2.681 7.653 1.00 32.41 H new ATOM 0 HG21 VAL A 201 28.200 3.414 7.950 1.00 34.40 H new ATOM 0 HG22 VAL A 201 29.495 4.147 8.926 1.00 34.40 H new ATOM 0 HG23 VAL A 201 28.394 5.182 7.987 1.00 34.40 H new ATOM 532 N GLY A 202 31.262 5.744 4.510 1.00 23.20 N ATOM 533 CA GLY A 202 32.016 5.732 3.270 1.00 55.41 C ATOM 534 C GLY A 202 33.149 6.739 3.271 1.00 54.44 C ATOM 535 O GLY A 202 33.773 6.982 4.304 1.00 61.42 O ATOM 0 H GLY A 202 30.338 6.171 4.446 1.00 23.20 H new ATOM 0 HA2 GLY A 202 32.421 4.734 3.104 1.00 55.41 H new ATOM 0 HA3 GLY A 202 31.345 5.946 2.438 1.00 55.41 H new ATOM 539 N ARG A 203 33.418 7.327 2.110 1.00 55.43 N ATOM 540 CA ARG A 203 34.485 8.311 1.979 1.00 64.41 C ATOM 541 C ARG A 203 33.979 9.574 1.290 1.00 45.04 C ATOM 542 O ARG A 203 34.762 10.346 0.734 1.00 62.35 O ATOM 543 CB ARG A 203 35.658 7.721 1.193 1.00 53.44 C ATOM 544 CG ARG A 203 36.955 7.665 1.983 1.00 60.52 C ATOM 545 CD ARG A 203 37.995 6.801 1.286 1.00 54.03 C ATOM 546 NE ARG A 203 37.975 5.423 1.771 1.00 71.05 N ATOM 547 CZ ARG A 203 38.514 5.042 2.923 1.00 64.12 C ATOM 548 NH1 ARG A 203 39.113 5.930 3.705 1.00 13.30 N ATOM 549 NH2 ARG A 203 38.457 3.770 3.296 1.00 74.33 N ATOM 0 H ARG A 203 32.911 7.138 1.245 1.00 55.43 H new ATOM 0 HA ARG A 203 34.825 8.577 2.980 1.00 64.41 H new ATOM 0 HB2 ARG A 203 35.397 6.714 0.868 1.00 53.44 H new ATOM 0 HB3 ARG A 203 35.816 8.315 0.293 1.00 53.44 H new ATOM 0 HG2 ARG A 203 37.347 8.674 2.113 1.00 60.52 H new ATOM 0 HG3 ARG A 203 36.759 7.268 2.979 1.00 60.52 H new ATOM 0 HD2 ARG A 203 37.813 6.810 0.211 1.00 54.03 H new ATOM 0 HD3 ARG A 203 38.986 7.227 1.445 1.00 54.03 H new ATOM 0 HE ARG A 203 37.522 4.715 1.193 1.00 71.05 H new ATOM 0 HH11 ARG A 203 39.161 6.909 3.422 1.00 13.30 H new ATOM 0 HH12 ARG A 203 39.526 5.634 4.589 1.00 13.30 H new ATOM 0 HH21 ARG A 203 37.999 3.083 2.697 1.00 74.33 H new ATOM 0 HH22 ARG A 203 38.872 3.479 4.181 1.00 74.33 H new ATOM 563 N HIS A 204 32.667 9.779 1.329 1.00 0.52 N ATOM 564 CA HIS A 204 32.057 10.948 0.707 1.00 0.11 C ATOM 565 C HIS A 204 31.770 12.028 1.745 1.00 12.54 C ATOM 566 O HIS A 204 30.731 12.688 1.699 1.00 20.43 O ATOM 567 CB HIS A 204 30.764 10.555 -0.008 1.00 51.42 C ATOM 568 CG HIS A 204 30.958 9.518 -1.071 1.00 2.54 C ATOM 569 ND1 HIS A 204 31.562 9.785 -2.281 1.00 40.43 N ATOM 570 CD2 HIS A 204 30.626 8.207 -1.099 1.00 24.41 C ATOM 571 CE1 HIS A 204 31.591 8.683 -3.009 1.00 42.31 C ATOM 572 NE2 HIS A 204 31.030 7.710 -2.314 1.00 4.24 N ATOM 0 H HIS A 204 32.005 9.151 1.785 1.00 0.52 H new ATOM 0 HA HIS A 204 32.760 11.349 -0.023 1.00 0.11 H new ATOM 0 HB2 HIS A 204 30.051 10.181 0.727 1.00 51.42 H new ATOM 0 HB3 HIS A 204 30.322 11.445 -0.456 1.00 51.42 H new ATOM 0 HD1 HIS A 204 31.929 10.692 -2.569 1.00 40.43 H new ATOM 0 HD2 HIS A 204 30.135 7.654 -0.312 1.00 24.41 H new ATOM 0 HE1 HIS A 204 32.003 8.593 -4.003 1.00 42.31 H new ATOM 579 N ARG A 205 32.697 12.204 2.681 1.00 35.23 N ATOM 580 CA ARG A 205 32.541 13.202 3.732 1.00 5.03 C ATOM 581 C ARG A 205 33.222 14.512 3.343 1.00 14.31 C ATOM 582 O ARG A 205 32.632 15.587 3.459 1.00 40.40 O ATOM 583 CB ARG A 205 33.126 12.684 5.048 1.00 51.32 C ATOM 584 CG ARG A 205 32.499 13.311 6.282 1.00 41.43 C ATOM 585 CD ARG A 205 33.474 14.237 6.993 1.00 34.42 C ATOM 586 NE ARG A 205 34.047 13.617 8.185 1.00 73.35 N ATOM 587 CZ ARG A 205 35.111 14.094 8.822 1.00 52.14 C ATOM 588 NH1 ARG A 205 35.714 15.190 8.384 1.00 53.20 N ATOM 589 NH2 ARG A 205 35.572 13.473 9.900 1.00 25.04 N ATOM 0 H ARG A 205 33.564 11.669 2.733 1.00 35.23 H new ATOM 0 HA ARG A 205 31.476 13.390 3.864 1.00 5.03 H new ATOM 0 HB2 ARG A 205 32.995 11.603 5.094 1.00 51.32 H new ATOM 0 HB3 ARG A 205 34.199 12.875 5.059 1.00 51.32 H new ATOM 0 HG2 ARG A 205 31.608 13.870 5.995 1.00 41.43 H new ATOM 0 HG3 ARG A 205 32.176 12.526 6.966 1.00 41.43 H new ATOM 0 HD2 ARG A 205 34.275 14.515 6.308 1.00 34.42 H new ATOM 0 HD3 ARG A 205 32.961 15.157 7.274 1.00 34.42 H new ATOM 0 HE ARG A 205 33.606 12.772 8.548 1.00 73.35 H new ATOM 0 HH11 ARG A 205 35.361 15.670 7.556 1.00 53.20 H new ATOM 0 HH12 ARG A 205 36.531 15.554 8.875 1.00 53.20 H new ATOM 0 HH21 ARG A 205 35.110 12.630 10.240 1.00 25.04 H new ATOM 0 HH22 ARG A 205 36.389 13.839 10.389 1.00 25.04 H new ATOM 603 N ASP A 206 34.463 14.414 2.881 1.00 51.13 N ATOM 604 CA ASP A 206 35.222 15.590 2.473 1.00 2.22 C ATOM 605 C ASP A 206 34.898 15.974 1.033 1.00 13.41 C ATOM 606 O ASP A 206 35.477 16.911 0.485 1.00 50.33 O ATOM 607 CB ASP A 206 36.723 15.330 2.620 1.00 60.24 C ATOM 608 CG ASP A 206 37.208 15.524 4.042 1.00 31.53 C ATOM 609 OD1 ASP A 206 36.473 16.140 4.841 1.00 31.22 O ATOM 610 OD2 ASP A 206 38.324 15.060 4.358 1.00 41.34 O ATOM 0 H ASP A 206 34.965 13.532 2.780 1.00 51.13 H new ATOM 0 HA ASP A 206 34.939 16.418 3.122 1.00 2.22 H new ATOM 0 HB2 ASP A 206 36.945 14.312 2.299 1.00 60.24 H new ATOM 0 HB3 ASP A 206 37.271 16.000 1.958 1.00 60.24 H new ATOM 615 N HIS A 207 33.969 15.243 0.426 1.00 54.01 N ATOM 616 CA HIS A 207 33.566 15.507 -0.951 1.00 4.32 C ATOM 617 C HIS A 207 32.580 16.670 -1.015 1.00 63.23 C ATOM 618 O HIS A 207 32.271 17.290 0.002 1.00 61.44 O ATOM 619 CB HIS A 207 32.942 14.257 -1.571 1.00 14.24 C ATOM 620 CG HIS A 207 33.940 13.194 -1.913 1.00 10.34 C ATOM 621 ND1 HIS A 207 33.599 12.015 -2.540 1.00 73.12 N ATOM 622 CD2 HIS A 207 35.278 13.140 -1.712 1.00 71.51 C ATOM 623 CE1 HIS A 207 34.683 11.280 -2.710 1.00 32.15 C ATOM 624 NE2 HIS A 207 35.715 11.940 -2.216 1.00 22.33 N ATOM 0 H HIS A 207 33.481 14.463 0.866 1.00 54.01 H new ATOM 0 HA HIS A 207 34.456 15.778 -1.519 1.00 4.32 H new ATOM 0 HB2 HIS A 207 32.209 13.845 -0.878 1.00 14.24 H new ATOM 0 HB3 HIS A 207 32.402 14.541 -2.474 1.00 14.24 H new ATOM 0 HD2 HIS A 207 35.887 13.899 -1.243 1.00 71.51 H new ATOM 0 HE1 HIS A 207 34.719 10.305 -3.174 1.00 32.15 H new ATOM 0 HE2 HIS A 207 36.681 11.611 -2.210 1.00 22.33 H new ATOM 631 N GLN A 208 32.091 16.958 -2.217 1.00 15.21 N ATOM 632 CA GLN A 208 31.140 18.046 -2.412 1.00 61.44 C ATOM 633 C GLN A 208 29.773 17.507 -2.823 1.00 51.22 C ATOM 634 O GLN A 208 29.671 16.444 -3.436 1.00 4.32 O ATOM 635 CB GLN A 208 31.657 19.019 -3.473 1.00 3.22 C ATOM 636 CG GLN A 208 31.708 20.463 -3.000 1.00 53.11 C ATOM 637 CD GLN A 208 32.223 21.409 -4.068 1.00 73.02 C ATOM 638 OE1 GLN A 208 32.376 21.028 -5.229 1.00 52.03 O ATOM 639 NE2 GLN A 208 32.493 22.649 -3.680 1.00 53.40 N ATOM 0 H GLN A 208 32.337 16.454 -3.069 1.00 15.21 H new ATOM 0 HA GLN A 208 31.032 18.575 -1.465 1.00 61.44 H new ATOM 0 HB2 GLN A 208 32.656 18.711 -3.781 1.00 3.22 H new ATOM 0 HB3 GLN A 208 31.018 18.956 -4.354 1.00 3.22 H new ATOM 0 HG2 GLN A 208 30.710 20.776 -2.693 1.00 53.11 H new ATOM 0 HG3 GLN A 208 32.348 20.531 -2.120 1.00 53.11 H new ATOM 0 HE21 GLN A 208 32.351 22.921 -2.707 1.00 53.40 H new ATOM 0 HE22 GLN A 208 32.842 23.330 -4.354 1.00 53.40 H new ATOM 648 N VAL A 209 28.723 18.248 -2.481 1.00 41.25 N ATOM 649 CA VAL A 209 27.362 17.846 -2.815 1.00 63.12 C ATOM 650 C VAL A 209 26.506 19.054 -3.179 1.00 72.53 C ATOM 651 O VAL A 209 26.997 20.181 -3.240 1.00 33.43 O ATOM 652 CB VAL A 209 26.698 17.091 -1.649 1.00 3.32 C ATOM 653 CG1 VAL A 209 27.541 15.892 -1.239 1.00 53.41 C ATOM 654 CG2 VAL A 209 26.475 18.026 -0.469 1.00 23.30 C ATOM 0 H VAL A 209 28.789 19.130 -1.973 1.00 41.25 H new ATOM 0 HA VAL A 209 27.430 17.181 -3.676 1.00 63.12 H new ATOM 0 HB VAL A 209 25.727 16.724 -1.982 1.00 3.32 H new ATOM 0 HG11 VAL A 209 27.056 15.371 -0.414 1.00 53.41 H new ATOM 0 HG12 VAL A 209 27.645 15.213 -2.086 1.00 53.41 H new ATOM 0 HG13 VAL A 209 28.528 16.232 -0.924 1.00 53.41 H new ATOM 0 HG21 VAL A 209 26.005 17.477 0.347 1.00 23.30 H new ATOM 0 HG22 VAL A 209 27.433 18.424 -0.134 1.00 23.30 H new ATOM 0 HG23 VAL A 209 25.827 18.848 -0.774 1.00 23.30 H new ATOM 664 N ALA A 210 25.222 18.810 -3.419 1.00 70.13 N ATOM 665 CA ALA A 210 24.296 19.878 -3.775 1.00 13.11 C ATOM 666 C ALA A 210 23.344 20.185 -2.623 1.00 20.04 C ATOM 667 O ALA A 210 22.231 19.662 -2.569 1.00 1.43 O ATOM 668 CB ALA A 210 23.511 19.503 -5.024 1.00 12.15 C ATOM 0 H ALA A 210 24.800 17.883 -3.373 1.00 70.13 H new ATOM 0 HA ALA A 210 24.878 20.776 -3.981 1.00 13.11 H new ATOM 0 HB1 ALA A 210 22.824 20.310 -5.278 1.00 12.15 H new ATOM 0 HB2 ALA A 210 24.201 19.340 -5.852 1.00 12.15 H new ATOM 0 HB3 ALA A 210 22.946 18.590 -4.838 1.00 12.15 H new