USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 599 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: B 116 ASN : amide:sc= 0 X(o=0.36,f=0.072) USER MOD Set 1.2: B 117 SER OG : rot 1:sc= 0.357 USER MOD Set 2.1: A 194 ASN : amide:sc= -0.0243 K(o=-0.44,f=-6.7!) USER MOD Set 2.2: A 195 THR OG1 : rot -170:sc= 0.0358 USER MOD Set 2.3: A 198 GLN : amide:sc= -0.448 K(o=-0.44,f=-2.4!) USER MOD Single : A 171 ASN : amide:sc= -0.0385 K(o=-0.039,f=-0.93) USER MOD Single : A 172 GLN : amide:sc= -2.08! C(o=-2.1!,f=-7!) USER MOD Single : A 173 MET CE :methyl -155:sc= -0.147 (180deg=-1.42) USER MOD Single : A 174 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0133) USER MOD Single : A 180 LYS NZ :NH3+ -162:sc= -0.0201 (180deg=-0.235) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 GLN : amide:sc= -0.0502 K(o=-0.05,f=-1.3) USER MOD Single : A 188 ASN : amide:sc= -0.0356 X(o=-0.036,f=-0.036) USER MOD Single : A 192 ASN :FLIP amide:sc= -0.27 F(o=-0.93,f=-0.27) USER MOD Single : A 197 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.34) USER MOD Single : A 200 THR OG1 : rot -94:sc= 1.33 USER MOD Single : A 204 GLN : amide:sc= -0.799 K(o=-0.8,f=-1.7!) USER MOD Single : A 205 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.13) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 THR OG1 : rot -90:sc= 1.21 USER MOD Single : A 211 GLN : amide:sc= -0.826 X(o=-0.83,f=-0.48) USER MOD Single : A 213 MET CE :methyl -166:sc= -0.133 (180deg=-0.425) USER MOD Single : A 217 LYS NZ :NH3+ 156:sc= 1.23 (180deg=1.15) USER MOD Single : A 220 TYR OH : rot 180:sc= 0 USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 HIS : no HD1:sc= 0.706 K(o=0.71,f=-3.9!) USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 225 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.5) USER MOD Single : A 229 LYS NZ :NH3+ -156:sc= -0.0629 (180deg=-0.406) USER MOD Single : B 118 LYS NZ :NH3+ -158:sc= -0.265 (180deg=-1.11) USER MOD Single : B 121 THR OG1 : rot 180:sc= 0.0643 USER MOD Single : B 122 SER OG : rot 72:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 169 -5.784 3.892 -7.960 1.00 5.81 N ATOM 201 CA LEU A 169 -5.206 3.946 -6.626 1.00 5.44 C ATOM 202 C LEU A 169 -4.471 2.652 -6.283 1.00 5.18 C ATOM 203 O LEU A 169 -3.400 2.680 -5.677 1.00 5.07 O ATOM 204 CB LEU A 169 -6.285 4.252 -5.581 1.00 5.36 C ATOM 205 CG LEU A 169 -7.360 3.176 -5.392 1.00 5.65 C ATOM 206 CD1 LEU A 169 -7.165 2.442 -4.069 1.00 5.76 C ATOM 207 CD2 LEU A 169 -8.752 3.790 -5.464 1.00 5.82 C ATOM 0 HA LEU A 169 -4.475 4.754 -6.613 1.00 5.44 H new ATOM 0 HB2 LEU A 169 -5.796 4.422 -4.622 1.00 5.36 H new ATOM 0 HB3 LEU A 169 -6.777 5.185 -5.858 1.00 5.36 H new ATOM 0 HG LEU A 169 -7.262 2.452 -6.201 1.00 5.65 H new ATOM 0 HD11 LEU A 169 -7.939 1.683 -3.956 1.00 5.76 H new ATOM 0 HD12 LEU A 169 -6.185 1.965 -4.059 1.00 5.76 H new ATOM 0 HD13 LEU A 169 -7.231 3.153 -3.245 1.00 5.76 H new ATOM 0 HD21 LEU A 169 -9.501 3.010 -5.328 1.00 5.82 H new ATOM 0 HD22 LEU A 169 -8.860 4.539 -4.679 1.00 5.82 H new ATOM 0 HD23 LEU A 169 -8.892 4.261 -6.437 1.00 5.82 H new ATOM 219 N VAL A 170 -5.042 1.528 -6.693 1.00 5.20 N ATOM 220 CA VAL A 170 -4.471 0.217 -6.403 1.00 5.06 C ATOM 221 C VAL A 170 -3.120 0.003 -7.088 1.00 5.34 C ATOM 222 O VAL A 170 -2.183 -0.521 -6.482 1.00 5.28 O ATOM 223 CB VAL A 170 -5.444 -0.907 -6.822 1.00 5.24 C ATOM 224 CG1 VAL A 170 -4.784 -2.273 -6.736 1.00 5.25 C ATOM 225 CG2 VAL A 170 -6.701 -0.875 -5.966 1.00 5.42 C ATOM 0 H VAL A 170 -5.907 1.497 -7.232 1.00 5.20 H new ATOM 0 HA VAL A 170 -4.309 0.181 -5.326 1.00 5.06 H new ATOM 0 HB VAL A 170 -5.722 -0.732 -7.861 1.00 5.24 H new ATOM 0 HG11 VAL A 170 -5.496 -3.041 -7.038 1.00 5.25 H new ATOM 0 HG12 VAL A 170 -3.918 -2.301 -7.398 1.00 5.25 H new ATOM 0 HG13 VAL A 170 -4.463 -2.458 -5.711 1.00 5.25 H new ATOM 0 HG21 VAL A 170 -7.373 -1.675 -6.277 1.00 5.42 H new ATOM 0 HG22 VAL A 170 -6.432 -1.014 -4.919 1.00 5.42 H new ATOM 0 HG23 VAL A 170 -7.200 0.086 -6.088 1.00 5.42 H new ATOM 235 N ASN A 171 -3.016 0.433 -8.335 1.00 5.77 N ATOM 236 CA ASN A 171 -1.787 0.254 -9.105 1.00 6.24 C ATOM 237 C ASN A 171 -0.612 1.009 -8.487 1.00 6.25 C ATOM 238 O ASN A 171 0.537 0.576 -8.581 1.00 6.59 O ATOM 239 CB ASN A 171 -1.993 0.718 -10.545 1.00 6.76 C ATOM 240 CG ASN A 171 -0.934 0.175 -11.479 1.00 7.31 C ATOM 241 OD1 ASN A 171 -0.454 -0.950 -11.312 1.00 7.47 O ATOM 242 ND2 ASN A 171 -0.562 0.970 -12.464 1.00 7.80 N ATOM 0 H ASN A 171 -3.765 0.908 -8.839 1.00 5.77 H new ATOM 0 HA ASN A 171 -1.548 -0.809 -9.092 1.00 6.24 H new ATOM 0 HB2 ASN A 171 -2.977 0.400 -10.890 1.00 6.76 H new ATOM 0 HB3 ASN A 171 -1.981 1.807 -10.579 1.00 6.76 H new ATOM 0 HD21 ASN A 171 0.150 0.662 -13.126 1.00 7.80 H new ATOM 0 HD22 ASN A 171 -0.986 1.892 -12.563 1.00 7.80 H new ATOM 249 N GLN A 172 -0.911 2.124 -7.838 1.00 6.00 N ATOM 250 CA GLN A 172 0.110 2.948 -7.211 1.00 6.13 C ATOM 251 C GLN A 172 0.568 2.341 -5.890 1.00 5.80 C ATOM 252 O GLN A 172 1.635 2.681 -5.380 1.00 6.06 O ATOM 253 CB GLN A 172 -0.409 4.373 -6.999 1.00 6.13 C ATOM 254 CG GLN A 172 -0.608 5.154 -8.293 1.00 6.58 C ATOM 255 CD GLN A 172 0.679 5.384 -9.071 1.00 6.95 C ATOM 256 OE1 GLN A 172 1.575 4.540 -9.099 1.00 7.27 O ATOM 257 NE2 GLN A 172 0.783 6.540 -9.704 1.00 7.22 N ATOM 0 H GLN A 172 -1.861 2.481 -7.732 1.00 6.00 H new ATOM 0 HA GLN A 172 0.971 2.988 -7.878 1.00 6.13 H new ATOM 0 HB2 GLN A 172 -1.357 4.328 -6.463 1.00 6.13 H new ATOM 0 HB3 GLN A 172 0.292 4.914 -6.363 1.00 6.13 H new ATOM 0 HG2 GLN A 172 -1.314 4.617 -8.926 1.00 6.58 H new ATOM 0 HG3 GLN A 172 -1.059 6.119 -8.059 1.00 6.58 H new ATOM 0 HE21 GLN A 172 0.021 7.216 -9.659 1.00 7.22 H new ATOM 0 HE22 GLN A 172 1.625 6.756 -10.237 1.00 7.22 H new ATOM 266 N MET A 173 -0.247 1.441 -5.344 1.00 5.33 N ATOM 267 CA MET A 173 0.063 0.786 -4.077 1.00 5.03 C ATOM 268 C MET A 173 0.991 -0.413 -4.275 1.00 5.21 C ATOM 269 O MET A 173 1.219 -1.188 -3.348 1.00 5.01 O ATOM 270 CB MET A 173 -1.222 0.317 -3.385 1.00 4.54 C ATOM 271 CG MET A 173 -2.100 1.445 -2.864 1.00 4.49 C ATOM 272 SD MET A 173 -1.203 2.616 -1.821 1.00 4.57 S ATOM 273 CE MET A 173 -0.583 1.551 -0.520 1.00 4.49 C ATOM 0 H MET A 173 -1.130 1.148 -5.762 1.00 5.33 H new ATOM 0 HA MET A 173 0.571 1.520 -3.452 1.00 5.03 H new ATOM 0 HB2 MET A 173 -1.801 -0.283 -4.087 1.00 4.54 H new ATOM 0 HB3 MET A 173 -0.956 -0.334 -2.553 1.00 4.54 H new ATOM 0 HG2 MET A 173 -2.535 1.979 -3.709 1.00 4.49 H new ATOM 0 HG3 MET A 173 -2.927 1.021 -2.295 1.00 4.49 H new ATOM 0 HE1 MET A 173 -0.414 2.139 0.382 1.00 4.49 H new ATOM 0 HE2 MET A 173 -1.313 0.769 -0.311 1.00 4.49 H new ATOM 0 HE3 MET A 173 0.355 1.096 -0.838 1.00 4.49 H new ATOM 283 N LYS A 174 1.514 -0.580 -5.482 1.00 5.68 N ATOM 284 CA LYS A 174 2.411 -1.694 -5.765 1.00 6.02 C ATOM 285 C LYS A 174 3.862 -1.237 -5.740 1.00 6.49 C ATOM 286 O LYS A 174 4.615 -1.570 -4.823 1.00 6.55 O ATOM 287 CB LYS A 174 2.071 -2.333 -7.111 1.00 6.45 C ATOM 288 CG LYS A 174 0.935 -3.336 -7.017 1.00 6.44 C ATOM 289 CD LYS A 174 0.654 -3.999 -8.353 1.00 6.92 C ATOM 290 CE LYS A 174 -0.439 -5.050 -8.231 1.00 7.15 C ATOM 291 NZ LYS A 174 0.041 -6.280 -7.543 1.00 7.76 N1+ ATOM 0 H LYS A 174 1.335 0.036 -6.275 1.00 5.68 H new ATOM 0 HA LYS A 174 2.276 -2.445 -4.986 1.00 6.02 H new ATOM 0 HB2 LYS A 174 1.801 -1.551 -7.821 1.00 6.45 H new ATOM 0 HB3 LYS A 174 2.957 -2.830 -7.506 1.00 6.45 H new ATOM 0 HG2 LYS A 174 1.184 -4.098 -6.279 1.00 6.44 H new ATOM 0 HG3 LYS A 174 0.035 -2.833 -6.665 1.00 6.44 H new ATOM 0 HD2 LYS A 174 0.355 -3.244 -9.080 1.00 6.92 H new ATOM 0 HD3 LYS A 174 1.566 -4.462 -8.730 1.00 6.92 H new ATOM 0 HE2 LYS A 174 -1.282 -4.633 -7.681 1.00 7.15 H new ATOM 0 HE3 LYS A 174 -0.804 -5.310 -9.225 1.00 7.15 H new ATOM 0 HZ1 LYS A 174 -0.720 -6.988 -7.527 1.00 7.76 H new ATOM 0 HZ2 LYS A 174 0.861 -6.665 -8.053 1.00 7.76 H new ATOM 0 HZ3 LYS A 174 0.318 -6.047 -6.568 1.00 7.76 H new ATOM 305 N VAL A 175 4.255 -0.475 -6.746 1.00 6.90 N ATOM 306 CA VAL A 175 5.614 0.031 -6.812 1.00 7.46 C ATOM 307 C VAL A 175 5.651 1.458 -6.308 1.00 7.44 C ATOM 308 O VAL A 175 5.614 2.422 -7.079 1.00 7.78 O ATOM 309 CB VAL A 175 6.205 -0.032 -8.232 1.00 8.18 C ATOM 310 CG1 VAL A 175 6.806 -1.399 -8.495 1.00 8.62 C ATOM 311 CG2 VAL A 175 5.147 0.303 -9.274 1.00 8.33 C ATOM 0 H VAL A 175 3.657 -0.195 -7.523 1.00 6.90 H new ATOM 0 HA VAL A 175 6.227 -0.612 -6.180 1.00 7.46 H new ATOM 0 HB VAL A 175 6.998 0.712 -8.307 1.00 8.18 H new ATOM 0 HG11 VAL A 175 7.219 -1.427 -9.503 1.00 8.62 H new ATOM 0 HG12 VAL A 175 7.599 -1.593 -7.772 1.00 8.62 H new ATOM 0 HG13 VAL A 175 6.033 -2.161 -8.399 1.00 8.62 H new ATOM 0 HG21 VAL A 175 5.588 0.252 -10.270 1.00 8.33 H new ATOM 0 HG22 VAL A 175 4.327 -0.412 -9.203 1.00 8.33 H new ATOM 0 HG23 VAL A 175 4.767 1.309 -9.096 1.00 8.33 H new ATOM 321 N ALA A 176 5.725 1.579 -5.006 1.00 7.10 N ATOM 322 CA ALA A 176 5.763 2.875 -4.363 1.00 7.14 C ATOM 323 C ALA A 176 6.823 2.896 -3.272 1.00 7.24 C ATOM 324 O ALA A 176 7.069 1.876 -2.623 1.00 6.92 O ATOM 325 CB ALA A 176 4.396 3.212 -3.793 1.00 6.59 C ATOM 0 H ALA A 176 5.761 0.789 -4.362 1.00 7.10 H new ATOM 0 HA ALA A 176 6.025 3.630 -5.104 1.00 7.14 H new ATOM 0 HB1 ALA A 176 4.434 4.189 -3.311 1.00 6.59 H new ATOM 0 HB2 ALA A 176 3.661 3.233 -4.598 1.00 6.59 H new ATOM 0 HB3 ALA A 176 4.111 2.457 -3.061 1.00 6.59 H new ATOM 331 N PRO A 177 7.507 4.031 -3.098 1.00 7.75 N ATOM 332 CA PRO A 177 8.533 4.194 -2.079 1.00 7.96 C ATOM 333 C PRO A 177 7.956 4.596 -0.726 1.00 7.58 C ATOM 334 O PRO A 177 6.944 5.298 -0.647 1.00 7.42 O ATOM 335 CB PRO A 177 9.418 5.316 -2.635 1.00 8.76 C ATOM 336 CG PRO A 177 8.709 5.883 -3.828 1.00 8.86 C ATOM 337 CD PRO A 177 7.339 5.264 -3.874 1.00 8.23 C ATOM 0 HA PRO A 177 9.067 3.262 -1.894 1.00 7.96 H new ATOM 0 HB2 PRO A 177 9.582 6.087 -1.882 1.00 8.76 H new ATOM 0 HB3 PRO A 177 10.398 4.931 -2.916 1.00 8.76 H new ATOM 0 HG2 PRO A 177 8.637 6.968 -3.752 1.00 8.86 H new ATOM 0 HG3 PRO A 177 9.260 5.663 -4.742 1.00 8.86 H new ATOM 0 HD2 PRO A 177 6.586 5.918 -3.434 1.00 8.23 H new ATOM 0 HD3 PRO A 177 7.024 5.057 -4.897 1.00 8.23 H new ATOM 345 N ILE A 178 8.603 4.147 0.334 1.00 7.53 N ATOM 346 CA ILE A 178 8.176 4.470 1.683 1.00 7.29 C ATOM 347 C ILE A 178 8.773 5.805 2.120 1.00 7.90 C ATOM 348 O ILE A 178 9.990 5.997 2.058 1.00 8.45 O ATOM 349 CB ILE A 178 8.585 3.369 2.679 1.00 7.03 C ATOM 350 CG1 ILE A 178 8.018 2.025 2.236 1.00 6.56 C ATOM 351 CG2 ILE A 178 8.112 3.700 4.084 1.00 6.79 C ATOM 352 CD1 ILE A 178 9.080 1.004 1.919 1.00 6.69 C ATOM 0 H ILE A 178 9.431 3.554 0.286 1.00 7.53 H new ATOM 0 HA ILE A 178 7.088 4.542 1.679 1.00 7.29 H new ATOM 0 HB ILE A 178 9.673 3.310 2.693 1.00 7.03 H new ATOM 0 HG12 ILE A 178 7.372 1.634 3.022 1.00 6.56 H new ATOM 0 HG13 ILE A 178 7.394 2.175 1.355 1.00 6.56 H new ATOM 0 HG21 ILE A 178 8.415 2.906 4.766 1.00 6.79 H new ATOM 0 HG22 ILE A 178 8.556 4.642 4.405 1.00 6.79 H new ATOM 0 HG23 ILE A 178 7.026 3.790 4.091 1.00 6.79 H new ATOM 0 HD11 ILE A 178 8.608 0.071 1.611 1.00 6.69 H new ATOM 0 HD12 ILE A 178 9.712 1.375 1.112 1.00 6.69 H new ATOM 0 HD13 ILE A 178 9.690 0.826 2.805 1.00 6.69 H new ATOM 364 N PRO A 179 7.922 6.756 2.537 1.00 7.89 N ATOM 365 CA PRO A 179 8.373 8.074 2.986 1.00 8.51 C ATOM 366 C PRO A 179 9.144 8.004 4.302 1.00 8.75 C ATOM 367 O PRO A 179 9.012 7.036 5.057 1.00 8.38 O ATOM 368 CB PRO A 179 7.072 8.857 3.167 1.00 8.36 C ATOM 369 CG PRO A 179 6.021 7.827 3.373 1.00 7.74 C ATOM 370 CD PRO A 179 6.457 6.622 2.589 1.00 7.36 C ATOM 0 HA PRO A 179 9.062 8.532 2.276 1.00 8.51 H new ATOM 0 HB2 PRO A 179 7.134 9.532 4.021 1.00 8.36 H new ATOM 0 HB3 PRO A 179 6.856 9.470 2.292 1.00 8.36 H new ATOM 0 HG2 PRO A 179 5.914 7.586 4.431 1.00 7.74 H new ATOM 0 HG3 PRO A 179 5.051 8.186 3.028 1.00 7.74 H new ATOM 0 HD2 PRO A 179 6.156 5.695 3.077 1.00 7.36 H new ATOM 0 HD3 PRO A 179 6.019 6.613 1.591 1.00 7.36 H new ATOM 378 N LYS A 180 9.928 9.045 4.575 1.00 9.42 N ATOM 379 CA LYS A 180 10.742 9.122 5.790 1.00 9.77 C ATOM 380 C LYS A 180 9.912 8.883 7.047 1.00 9.52 C ATOM 381 O LYS A 180 10.329 8.150 7.944 1.00 9.52 O ATOM 382 CB LYS A 180 11.427 10.487 5.885 1.00 10.55 C ATOM 383 CG LYS A 180 12.716 10.584 5.087 1.00 10.96 C ATOM 384 CD LYS A 180 13.407 11.918 5.324 1.00 11.55 C ATOM 385 CE LYS A 180 14.845 11.904 4.833 1.00 12.03 C ATOM 386 NZ LYS A 180 15.709 11.019 5.659 1.00 12.47 N1+ ATOM 0 H LYS A 180 10.018 9.857 3.964 1.00 9.42 H new ATOM 0 HA LYS A 180 11.494 8.335 5.725 1.00 9.77 H new ATOM 0 HB2 LYS A 180 10.736 11.255 5.536 1.00 10.55 H new ATOM 0 HB3 LYS A 180 11.642 10.703 6.932 1.00 10.55 H new ATOM 0 HG2 LYS A 180 13.384 9.770 5.368 1.00 10.96 H new ATOM 0 HG3 LYS A 180 12.500 10.466 4.025 1.00 10.96 H new ATOM 0 HD2 LYS A 180 12.856 12.708 4.814 1.00 11.55 H new ATOM 0 HD3 LYS A 180 13.389 12.153 6.388 1.00 11.55 H new ATOM 0 HE2 LYS A 180 14.870 11.569 3.796 1.00 12.03 H new ATOM 0 HE3 LYS A 180 15.244 12.918 4.851 1.00 12.03 H new ATOM 0 HZ1 LYS A 180 16.708 11.261 5.499 1.00 12.47 H new ATOM 0 HZ2 LYS A 180 15.478 11.149 6.665 1.00 12.47 H new ATOM 0 HZ3 LYS A 180 15.546 10.027 5.392 1.00 12.47 H new ATOM 400 N GLN A 181 8.730 9.489 7.093 1.00 9.38 N ATOM 401 CA GLN A 181 7.836 9.356 8.241 1.00 9.25 C ATOM 402 C GLN A 181 7.524 7.895 8.551 1.00 8.64 C ATOM 403 O GLN A 181 7.411 7.508 9.715 1.00 8.66 O ATOM 404 CB GLN A 181 6.528 10.099 7.986 1.00 9.25 C ATOM 405 CG GLN A 181 6.664 11.609 8.013 1.00 9.84 C ATOM 406 CD GLN A 181 5.317 12.302 8.033 1.00 9.79 C ATOM 407 OE1 GLN A 181 4.766 12.574 9.098 1.00 9.75 O ATOM 408 NE2 GLN A 181 4.774 12.586 6.860 1.00 9.99 N ATOM 0 H GLN A 181 8.366 10.080 6.345 1.00 9.38 H new ATOM 0 HA GLN A 181 8.351 9.790 9.098 1.00 9.25 H new ATOM 0 HB2 GLN A 181 6.133 9.797 7.016 1.00 9.25 H new ATOM 0 HB3 GLN A 181 5.797 9.796 8.736 1.00 9.25 H new ATOM 0 HG2 GLN A 181 7.237 11.905 8.892 1.00 9.84 H new ATOM 0 HG3 GLN A 181 7.227 11.938 7.140 1.00 9.84 H new ATOM 0 HE21 GLN A 181 5.264 12.343 5.999 1.00 9.99 H new ATOM 0 HE22 GLN A 181 3.865 13.047 6.817 1.00 9.99 H new ATOM 417 N LEU A 182 7.396 7.085 7.512 1.00 8.14 N ATOM 418 CA LEU A 182 7.073 5.678 7.688 1.00 7.55 C ATOM 419 C LEU A 182 8.327 4.817 7.805 1.00 7.61 C ATOM 420 O LEU A 182 8.285 3.732 8.380 1.00 7.33 O ATOM 421 CB LEU A 182 6.194 5.196 6.536 1.00 6.99 C ATOM 422 CG LEU A 182 4.780 5.780 6.515 1.00 6.82 C ATOM 423 CD1 LEU A 182 3.981 5.205 5.359 1.00 6.67 C ATOM 424 CD2 LEU A 182 4.077 5.513 7.839 1.00 6.66 C ATOM 0 H LEU A 182 7.510 7.376 6.541 1.00 8.14 H new ATOM 0 HA LEU A 182 6.524 5.575 8.624 1.00 7.55 H new ATOM 0 HB2 LEU A 182 6.687 5.442 5.595 1.00 6.99 H new ATOM 0 HB3 LEU A 182 6.122 4.109 6.584 1.00 6.99 H new ATOM 0 HG LEU A 182 4.853 6.858 6.375 1.00 6.82 H new ATOM 0 HD11 LEU A 182 2.978 5.633 5.361 1.00 6.67 H new ATOM 0 HD12 LEU A 182 4.476 5.447 4.419 1.00 6.67 H new ATOM 0 HD13 LEU A 182 3.914 4.122 5.466 1.00 6.67 H new ATOM 0 HD21 LEU A 182 3.072 5.934 7.809 1.00 6.66 H new ATOM 0 HD22 LEU A 182 4.015 4.438 8.008 1.00 6.66 H new ATOM 0 HD23 LEU A 182 4.640 5.975 8.650 1.00 6.66 H new ATOM 436 N LEU A 183 9.439 5.302 7.269 1.00 8.04 N ATOM 437 CA LEU A 183 10.700 4.570 7.343 1.00 8.24 C ATOM 438 C LEU A 183 11.163 4.470 8.794 1.00 8.55 C ATOM 439 O LEU A 183 11.782 3.491 9.200 1.00 8.54 O ATOM 440 CB LEU A 183 11.776 5.263 6.499 1.00 8.80 C ATOM 441 CG LEU A 183 11.629 5.100 4.985 1.00 8.62 C ATOM 442 CD1 LEU A 183 12.642 5.971 4.255 1.00 9.31 C ATOM 443 CD2 LEU A 183 11.801 3.642 4.589 1.00 8.25 C ATOM 0 H LEU A 183 9.496 6.195 6.780 1.00 8.04 H new ATOM 0 HA LEU A 183 10.540 3.567 6.948 1.00 8.24 H new ATOM 0 HB2 LEU A 183 11.769 6.327 6.735 1.00 8.80 H new ATOM 0 HB3 LEU A 183 12.751 4.877 6.796 1.00 8.80 H new ATOM 0 HG LEU A 183 10.627 5.421 4.699 1.00 8.62 H new ATOM 0 HD11 LEU A 183 12.524 5.843 3.179 1.00 9.31 H new ATOM 0 HD12 LEU A 183 12.478 7.016 4.516 1.00 9.31 H new ATOM 0 HD13 LEU A 183 13.651 5.678 4.546 1.00 9.31 H new ATOM 0 HD21 LEU A 183 11.693 3.543 3.509 1.00 8.25 H new ATOM 0 HD22 LEU A 183 12.791 3.298 4.888 1.00 8.25 H new ATOM 0 HD23 LEU A 183 11.042 3.038 5.086 1.00 8.25 H new ATOM 455 N GLN A 184 10.811 5.483 9.575 1.00 8.87 N ATOM 456 CA GLN A 184 11.175 5.549 10.984 1.00 9.25 C ATOM 457 C GLN A 184 10.297 4.636 11.838 1.00 8.85 C ATOM 458 O GLN A 184 10.494 4.537 13.050 1.00 9.14 O ATOM 459 CB GLN A 184 11.053 6.987 11.485 1.00 9.76 C ATOM 460 CG GLN A 184 11.973 7.957 10.762 1.00 10.33 C ATOM 461 CD GLN A 184 11.611 9.402 11.025 1.00 10.90 C ATOM 462 OE1 GLN A 184 10.442 9.736 11.228 1.00 11.17 O ATOM 463 NE2 GLN A 184 12.607 10.268 11.025 1.00 11.29 N ATOM 0 H GLN A 184 10.266 6.281 9.250 1.00 8.87 H new ATOM 0 HA GLN A 184 12.206 5.209 11.076 1.00 9.25 H new ATOM 0 HB2 GLN A 184 10.022 7.319 11.367 1.00 9.76 H new ATOM 0 HB3 GLN A 184 11.276 7.013 12.552 1.00 9.76 H new ATOM 0 HG2 GLN A 184 13.002 7.780 11.076 1.00 10.33 H new ATOM 0 HG3 GLN A 184 11.930 7.764 9.690 1.00 10.33 H new ATOM 0 HE21 GLN A 184 13.560 9.949 10.852 1.00 11.29 H new ATOM 0 HE22 GLN A 184 12.423 11.256 11.198 1.00 11.29 H new ATOM 472 N ARG A 185 9.324 3.981 11.209 1.00 8.24 N ATOM 473 CA ARG A 185 8.418 3.088 11.924 1.00 7.89 C ATOM 474 C ARG A 185 9.083 1.755 12.234 1.00 7.66 C ATOM 475 O ARG A 185 8.726 1.088 13.202 1.00 7.54 O ATOM 476 CB ARG A 185 7.143 2.843 11.114 1.00 7.40 C ATOM 477 CG ARG A 185 6.131 3.980 11.181 1.00 7.66 C ATOM 478 CD ARG A 185 5.457 4.050 12.544 1.00 7.53 C ATOM 479 NE ARG A 185 6.303 4.707 13.543 1.00 7.91 N ATOM 480 CZ ARG A 185 6.258 4.450 14.852 1.00 8.28 C ATOM 481 NH1 ARG A 185 5.372 3.589 15.339 1.00 8.35 N1+ ATOM 482 NH2 ARG A 185 7.088 5.072 15.677 1.00 8.81 N ATOM 0 H ARG A 185 9.144 4.052 10.208 1.00 8.24 H new ATOM 0 HA ARG A 185 8.159 3.577 12.863 1.00 7.89 H new ATOM 0 HB2 ARG A 185 7.415 2.675 10.072 1.00 7.40 H new ATOM 0 HB3 ARG A 185 6.669 1.929 11.471 1.00 7.40 H new ATOM 0 HG2 ARG A 185 6.631 4.926 10.973 1.00 7.66 H new ATOM 0 HG3 ARG A 185 5.376 3.842 10.407 1.00 7.66 H new ATOM 0 HD2 ARG A 185 4.515 4.591 12.455 1.00 7.53 H new ATOM 0 HD3 ARG A 185 5.215 3.042 12.881 1.00 7.53 H new ATOM 0 HE ARG A 185 6.970 5.407 13.217 1.00 7.91 H new ATOM 0 HH11 ARG A 185 4.720 3.119 14.712 1.00 8.35 H new ATOM 0 HH12 ARG A 185 5.344 3.398 16.341 1.00 8.35 H new ATOM 0 HH21 ARG A 185 7.760 5.746 15.311 1.00 8.81 H new ATOM 0 HH22 ARG A 185 7.054 4.876 16.678 1.00 8.81 H new ATOM 496 N ILE A 186 10.049 1.371 11.414 1.00 7.69 N ATOM 497 CA ILE A 186 10.750 0.110 11.604 1.00 7.57 C ATOM 498 C ILE A 186 12.180 0.369 12.067 1.00 8.20 C ATOM 499 O ILE A 186 13.050 0.700 11.264 1.00 8.43 O ATOM 500 CB ILE A 186 10.767 -0.732 10.309 1.00 7.11 C ATOM 501 CG1 ILE A 186 9.359 -0.808 9.707 1.00 6.84 C ATOM 502 CG2 ILE A 186 11.300 -2.134 10.586 1.00 6.83 C ATOM 503 CD1 ILE A 186 9.306 -1.503 8.363 1.00 6.52 C ATOM 0 H ILE A 186 10.366 1.914 10.611 1.00 7.69 H new ATOM 0 HA ILE A 186 10.214 -0.454 12.368 1.00 7.57 H new ATOM 0 HB ILE A 186 11.430 -0.248 9.592 1.00 7.11 H new ATOM 0 HG12 ILE A 186 8.704 -1.333 10.403 1.00 6.84 H new ATOM 0 HG13 ILE A 186 8.965 0.203 9.599 1.00 6.84 H new ATOM 0 HG21 ILE A 186 11.304 -2.711 9.661 1.00 6.83 H new ATOM 0 HG22 ILE A 186 12.316 -2.067 10.976 1.00 6.83 H new ATOM 0 HG23 ILE A 186 10.662 -2.628 11.319 1.00 6.83 H new ATOM 0 HD11 ILE A 186 8.278 -1.518 8.001 1.00 6.52 H new ATOM 0 HD12 ILE A 186 9.933 -0.967 7.651 1.00 6.52 H new ATOM 0 HD13 ILE A 186 9.668 -2.526 8.468 1.00 6.52 H new ATOM 515 N PRO A 187 12.434 0.241 13.379 1.00 8.55 N ATOM 516 CA PRO A 187 13.747 0.459 13.956 1.00 9.18 C ATOM 517 C PRO A 187 14.578 -0.825 14.021 1.00 9.19 C ATOM 518 O PRO A 187 14.058 -1.924 13.798 1.00 8.73 O ATOM 519 CB PRO A 187 13.413 0.966 15.360 1.00 9.56 C ATOM 520 CG PRO A 187 12.039 0.455 15.678 1.00 9.11 C ATOM 521 CD PRO A 187 11.460 -0.131 14.412 1.00 8.45 C ATOM 0 HA PRO A 187 14.354 1.147 13.368 1.00 9.18 H new ATOM 0 HB2 PRO A 187 14.140 0.604 16.087 1.00 9.56 H new ATOM 0 HB3 PRO A 187 13.441 2.055 15.397 1.00 9.56 H new ATOM 0 HG2 PRO A 187 12.084 -0.300 16.463 1.00 9.11 H new ATOM 0 HG3 PRO A 187 11.408 1.262 16.049 1.00 9.11 H new ATOM 0 HD2 PRO A 187 11.348 -1.213 14.486 1.00 8.45 H new ATOM 0 HD3 PRO A 187 10.473 0.277 14.197 1.00 8.45 H new ATOM 529 N ASN A 188 15.874 -0.655 14.298 1.00 9.77 N ATOM 530 CA ASN A 188 16.845 -1.757 14.413 1.00 9.94 C ATOM 531 C ASN A 188 17.213 -2.342 13.047 1.00 9.83 C ATOM 532 O ASN A 188 18.273 -2.947 12.886 1.00 9.99 O ATOM 533 CB ASN A 188 16.305 -2.863 15.333 1.00 9.66 C ATOM 534 CG ASN A 188 17.255 -4.041 15.471 1.00 9.91 C ATOM 535 OD1 ASN A 188 18.443 -3.873 15.751 1.00 10.35 O ATOM 536 ND2 ASN A 188 16.734 -5.241 15.264 1.00 9.83 N ATOM 0 H ASN A 188 16.288 0.264 14.452 1.00 9.77 H new ATOM 0 HA ASN A 188 17.752 -1.340 14.851 1.00 9.94 H new ATOM 0 HB2 ASN A 188 16.110 -2.443 16.320 1.00 9.66 H new ATOM 0 HB3 ASN A 188 15.351 -3.217 14.944 1.00 9.66 H new ATOM 0 HD21 ASN A 188 17.322 -6.071 15.334 1.00 9.83 H new ATOM 0 HD22 ASN A 188 15.745 -5.335 15.034 1.00 9.83 H new ATOM 543 N ILE A 189 16.367 -2.128 12.050 1.00 9.66 N ATOM 544 CA ILE A 189 16.631 -2.644 10.714 1.00 9.64 C ATOM 545 C ILE A 189 16.525 -1.526 9.690 1.00 9.96 C ATOM 546 O ILE A 189 15.473 -0.903 9.557 1.00 9.97 O ATOM 547 CB ILE A 189 15.641 -3.765 10.323 1.00 9.24 C ATOM 548 CG1 ILE A 189 15.508 -4.781 11.457 1.00 9.23 C ATOM 549 CG2 ILE A 189 16.102 -4.459 9.042 1.00 9.06 C ATOM 550 CD1 ILE A 189 14.428 -5.816 11.227 1.00 9.09 C ATOM 0 H ILE A 189 15.497 -1.604 12.139 1.00 9.66 H new ATOM 0 HA ILE A 189 17.640 -3.057 10.725 1.00 9.64 H new ATOM 0 HB ILE A 189 14.664 -3.315 10.144 1.00 9.24 H new ATOM 0 HG12 ILE A 189 16.463 -5.289 11.590 1.00 9.23 H new ATOM 0 HG13 ILE A 189 15.297 -4.250 12.385 1.00 9.23 H new ATOM 0 HG21 ILE A 189 15.395 -5.246 8.780 1.00 9.06 H new ATOM 0 HG22 ILE A 189 16.152 -3.731 8.232 1.00 9.06 H new ATOM 0 HG23 ILE A 189 17.088 -4.896 9.199 1.00 9.06 H new ATOM 0 HD11 ILE A 189 14.394 -6.501 12.074 1.00 9.09 H new ATOM 0 HD12 ILE A 189 13.464 -5.319 11.124 1.00 9.09 H new ATOM 0 HD13 ILE A 189 14.647 -6.375 10.317 1.00 9.09 H new ATOM 562 N PRO A 190 17.609 -1.250 8.955 1.00 10.38 N ATOM 563 CA PRO A 190 17.625 -0.217 7.935 1.00 10.85 C ATOM 564 C PRO A 190 17.294 -0.774 6.553 1.00 10.73 C ATOM 565 O PRO A 190 18.043 -1.589 6.010 1.00 11.03 O ATOM 566 CB PRO A 190 19.076 0.277 7.965 1.00 11.43 C ATOM 567 CG PRO A 190 19.867 -0.751 8.720 1.00 11.22 C ATOM 568 CD PRO A 190 18.927 -1.880 9.066 1.00 10.57 C ATOM 0 HA PRO A 190 16.885 0.560 8.124 1.00 10.85 H new ATOM 0 HB2 PRO A 190 19.464 0.398 6.954 1.00 11.43 H new ATOM 0 HB3 PRO A 190 19.143 1.250 8.451 1.00 11.43 H new ATOM 0 HG2 PRO A 190 20.698 -1.115 8.116 1.00 11.22 H new ATOM 0 HG3 PRO A 190 20.295 -0.318 9.624 1.00 11.22 H new ATOM 0 HD2 PRO A 190 19.033 -2.720 8.379 1.00 10.57 H new ATOM 0 HD3 PRO A 190 19.108 -2.264 10.070 1.00 10.57 H new ATOM 576 N PRO A 191 16.154 -0.369 5.978 1.00 10.37 N ATOM 577 CA PRO A 191 15.750 -0.815 4.644 1.00 10.30 C ATOM 578 C PRO A 191 16.801 -0.457 3.579 1.00 10.68 C ATOM 579 O PRO A 191 17.123 -1.269 2.708 1.00 10.94 O ATOM 580 CB PRO A 191 14.432 -0.062 4.387 1.00 9.89 C ATOM 581 CG PRO A 191 14.364 1.015 5.417 1.00 9.82 C ATOM 582 CD PRO A 191 15.161 0.530 6.590 1.00 10.13 C ATOM 0 HA PRO A 191 15.641 -1.898 4.589 1.00 10.30 H new ATOM 0 HB2 PRO A 191 14.413 0.358 3.382 1.00 9.89 H new ATOM 0 HB3 PRO A 191 13.577 -0.733 4.468 1.00 9.89 H new ATOM 0 HG2 PRO A 191 14.772 1.949 5.030 1.00 9.82 H new ATOM 0 HG3 PRO A 191 13.331 1.213 5.704 1.00 9.82 H new ATOM 0 HD2 PRO A 191 15.638 1.354 7.120 1.00 10.13 H new ATOM 0 HD3 PRO A 191 14.535 0.006 7.312 1.00 10.13 H new ATOM 590 N ASN A 192 17.336 0.769 3.683 1.00 10.83 N ATOM 591 CA ASN A 192 18.359 1.297 2.760 1.00 11.33 C ATOM 592 C ASN A 192 17.836 1.401 1.334 1.00 11.24 C ATOM 593 O ASN A 192 18.599 1.637 0.391 1.00 11.75 O ATOM 594 CB ASN A 192 19.622 0.427 2.779 1.00 11.90 C ATOM 595 CG ASN A 192 20.481 0.665 4.004 1.00 12.46 C ATOM 596 OD1 ASN A 192 20.510 -0.294 4.912 1.00 12.68 O flip ATOM 597 ND2 ASN A 192 21.130 1.705 4.122 1.00 12.84 N flip ATOM 0 H ASN A 192 17.071 1.429 4.414 1.00 10.83 H new ATOM 0 HA ASN A 192 18.609 2.299 3.109 1.00 11.33 H new ATOM 0 HB2 ASN A 192 19.334 -0.624 2.741 1.00 11.90 H new ATOM 0 HB3 ASN A 192 20.210 0.629 1.884 1.00 11.90 H new ATOM 0 HD21 ASN A 192 21.081 2.422 3.398 1.00 12.84 H new ATOM 0 HD22 ASN A 192 21.717 1.849 4.944 1.00 12.84 H new ATOM 604 N ILE A 193 16.529 1.281 1.190 1.00 10.63 N ATOM 605 CA ILE A 193 15.889 1.370 -0.114 1.00 10.51 C ATOM 606 C ILE A 193 14.597 2.150 0.035 1.00 9.90 C ATOM 607 O ILE A 193 14.146 2.392 1.157 1.00 9.52 O ATOM 608 CB ILE A 193 15.599 -0.025 -0.732 1.00 10.37 C ATOM 609 CG1 ILE A 193 16.765 -0.973 -0.462 1.00 10.58 C ATOM 610 CG2 ILE A 193 15.367 0.092 -2.235 1.00 10.81 C ATOM 611 CD1 ILE A 193 16.356 -2.411 -0.284 1.00 10.26 C ATOM 0 H ILE A 193 15.884 1.121 1.964 1.00 10.63 H new ATOM 0 HA ILE A 193 16.572 1.878 -0.795 1.00 10.51 H new ATOM 0 HB ILE A 193 14.697 -0.425 -0.268 1.00 10.37 H new ATOM 0 HG12 ILE A 193 17.473 -0.907 -1.288 1.00 10.58 H new ATOM 0 HG13 ILE A 193 17.290 -0.641 0.434 1.00 10.58 H new ATOM 0 HG21 ILE A 193 15.165 -0.896 -2.650 1.00 10.81 H new ATOM 0 HG22 ILE A 193 14.515 0.745 -2.422 1.00 10.81 H new ATOM 0 HG23 ILE A 193 16.255 0.510 -2.709 1.00 10.81 H new ATOM 0 HD11 ILE A 193 17.240 -3.020 -0.096 1.00 10.26 H new ATOM 0 HD12 ILE A 193 15.673 -2.493 0.561 1.00 10.26 H new ATOM 0 HD13 ILE A 193 15.859 -2.762 -1.188 1.00 10.26 H new ATOM 623 N ASN A 194 14.011 2.559 -1.071 1.00 9.87 N ATOM 624 CA ASN A 194 12.775 3.315 -1.014 1.00 9.35 C ATOM 625 C ASN A 194 11.573 2.526 -1.555 1.00 8.86 C ATOM 626 O ASN A 194 10.515 2.526 -0.936 1.00 8.57 O ATOM 627 CB ASN A 194 12.939 4.639 -1.759 1.00 9.78 C ATOM 628 CG ASN A 194 13.179 4.462 -3.244 1.00 10.10 C ATOM 629 OD1 ASN A 194 13.793 3.489 -3.677 1.00 10.43 O ATOM 630 ND2 ASN A 194 12.693 5.405 -4.031 1.00 10.17 N ATOM 0 H ASN A 194 14.365 2.384 -2.011 1.00 9.87 H new ATOM 0 HA ASN A 194 12.563 3.516 0.036 1.00 9.35 H new ATOM 0 HB2 ASN A 194 12.045 5.245 -1.612 1.00 9.78 H new ATOM 0 HB3 ASN A 194 13.773 5.191 -1.326 1.00 9.78 H new ATOM 0 HD21 ASN A 194 12.821 5.343 -5.041 1.00 10.17 H new ATOM 0 HD22 ASN A 194 12.190 6.196 -3.629 1.00 10.17 H new ATOM 637 N THR A 195 11.744 1.817 -2.671 1.00 8.88 N ATOM 638 CA THR A 195 10.636 1.085 -3.277 1.00 8.49 C ATOM 639 C THR A 195 10.261 -0.176 -2.490 1.00 7.92 C ATOM 640 O THR A 195 11.126 -0.959 -2.088 1.00 8.08 O ATOM 641 CB THR A 195 10.972 0.706 -4.732 1.00 9.05 C ATOM 642 OG1 THR A 195 11.962 1.606 -5.247 1.00 9.80 O ATOM 643 CG2 THR A 195 9.731 0.775 -5.600 1.00 8.98 C ATOM 0 H THR A 195 12.631 1.735 -3.168 1.00 8.88 H new ATOM 0 HA THR A 195 9.774 1.752 -3.258 1.00 8.49 H new ATOM 0 HB THR A 195 11.356 -0.314 -4.746 1.00 9.05 H new ATOM 0 HG1 THR A 195 12.060 1.467 -6.212 1.00 9.80 H new ATOM 0 HG21 THR A 195 9.988 0.504 -6.624 1.00 8.98 H new ATOM 0 HG22 THR A 195 8.981 0.082 -5.218 1.00 8.98 H new ATOM 0 HG23 THR A 195 9.331 1.789 -5.582 1.00 8.98 H new ATOM 651 N TRP A 196 8.947 -0.367 -2.329 1.00 7.29 N ATOM 652 CA TRP A 196 8.372 -1.498 -1.590 1.00 6.73 C ATOM 653 C TRP A 196 8.880 -2.859 -2.070 1.00 7.00 C ATOM 654 O TRP A 196 9.171 -3.734 -1.256 1.00 6.84 O ATOM 655 CB TRP A 196 6.843 -1.481 -1.694 1.00 6.14 C ATOM 656 CG TRP A 196 6.146 -0.842 -0.526 1.00 5.65 C ATOM 657 CD1 TRP A 196 5.330 0.251 -0.563 1.00 5.54 C ATOM 658 CD2 TRP A 196 6.183 -1.270 0.844 1.00 5.33 C ATOM 659 NE1 TRP A 196 4.874 0.541 0.701 1.00 5.20 N ATOM 660 CE2 TRP A 196 5.380 -0.378 1.580 1.00 5.06 C ATOM 661 CE3 TRP A 196 6.818 -2.317 1.521 1.00 5.33 C ATOM 662 CZ2 TRP A 196 5.191 -0.504 2.955 1.00 4.84 C ATOM 663 CZ3 TRP A 196 6.632 -2.438 2.885 1.00 5.05 C ATOM 664 CH2 TRP A 196 5.827 -1.536 3.589 1.00 4.82 C ATOM 0 H TRP A 196 8.245 0.266 -2.712 1.00 7.29 H new ATOM 0 HA TRP A 196 8.692 -1.372 -0.556 1.00 6.73 H new ATOM 0 HB2 TRP A 196 6.559 -0.952 -2.604 1.00 6.14 H new ATOM 0 HB3 TRP A 196 6.487 -2.506 -1.797 1.00 6.14 H new ATOM 0 HD1 TRP A 196 5.079 0.807 -1.454 1.00 5.54 H new ATOM 0 HE1 TRP A 196 4.258 1.316 0.945 1.00 5.20 H new ATOM 0 HE3 TRP A 196 7.442 -3.018 0.987 1.00 5.33 H new ATOM 0 HZ2 TRP A 196 4.566 0.188 3.500 1.00 4.84 H new ATOM 0 HZ3 TRP A 196 7.117 -3.243 3.417 1.00 5.05 H new ATOM 0 HH2 TRP A 196 5.705 -1.657 4.655 1.00 4.82 H new ATOM 675 N GLN A 197 8.976 -3.037 -3.379 1.00 7.47 N ATOM 676 CA GLN A 197 9.414 -4.310 -3.945 1.00 7.85 C ATOM 677 C GLN A 197 10.839 -4.667 -3.531 1.00 8.27 C ATOM 678 O GLN A 197 11.151 -5.839 -3.316 1.00 8.37 O ATOM 679 CB GLN A 197 9.304 -4.276 -5.469 1.00 8.38 C ATOM 680 CG GLN A 197 9.245 -5.653 -6.106 1.00 8.33 C ATOM 681 CD GLN A 197 8.175 -6.533 -5.488 1.00 8.43 C ATOM 682 OE1 GLN A 197 7.007 -6.475 -5.872 1.00 8.59 O ATOM 683 NE2 GLN A 197 8.570 -7.358 -4.534 1.00 8.60 N ATOM 0 H GLN A 197 8.758 -2.320 -4.070 1.00 7.47 H new ATOM 0 HA GLN A 197 8.756 -5.083 -3.549 1.00 7.85 H new ATOM 0 HB2 GLN A 197 8.410 -3.717 -5.748 1.00 8.38 H new ATOM 0 HB3 GLN A 197 10.158 -3.734 -5.874 1.00 8.38 H new ATOM 0 HG2 GLN A 197 9.053 -5.548 -7.174 1.00 8.33 H new ATOM 0 HG3 GLN A 197 10.215 -6.139 -6.003 1.00 8.33 H new ATOM 0 HE21 GLN A 197 9.548 -7.374 -4.246 1.00 8.60 H new ATOM 0 HE22 GLN A 197 7.896 -7.979 -4.086 1.00 8.60 H new ATOM 692 N GLN A 198 11.701 -3.671 -3.413 1.00 8.57 N ATOM 693 CA GLN A 198 13.093 -3.917 -3.047 1.00 9.03 C ATOM 694 C GLN A 198 13.302 -3.971 -1.535 1.00 8.61 C ATOM 695 O GLN A 198 14.068 -4.795 -1.044 1.00 8.82 O ATOM 696 CB GLN A 198 14.003 -2.858 -3.662 1.00 9.66 C ATOM 697 CG GLN A 198 14.149 -2.979 -5.168 1.00 10.19 C ATOM 698 CD GLN A 198 13.221 -2.043 -5.921 1.00 10.85 C ATOM 699 OE1 GLN A 198 12.068 -2.381 -6.193 1.00 11.11 O ATOM 700 NE2 GLN A 198 13.719 -0.868 -6.263 1.00 11.29 N ATOM 0 H GLN A 198 11.468 -2.690 -3.563 1.00 8.57 H new ATOM 0 HA GLN A 198 13.354 -4.897 -3.446 1.00 9.03 H new ATOM 0 HB2 GLN A 198 13.610 -1.870 -3.422 1.00 9.66 H new ATOM 0 HB3 GLN A 198 14.989 -2.928 -3.203 1.00 9.66 H new ATOM 0 HG2 GLN A 198 15.180 -2.765 -5.448 1.00 10.19 H new ATOM 0 HG3 GLN A 198 13.944 -4.007 -5.468 1.00 10.19 H new ATOM 0 HE21 GLN A 198 14.680 -0.630 -6.017 1.00 11.29 H new ATOM 0 HE22 GLN A 198 13.143 -0.199 -6.773 1.00 11.29 H new ATOM 709 N VAL A 199 12.618 -3.103 -0.798 1.00 8.07 N ATOM 710 CA VAL A 199 12.765 -3.052 0.661 1.00 7.70 C ATOM 711 C VAL A 199 12.338 -4.357 1.333 1.00 7.32 C ATOM 712 O VAL A 199 12.817 -4.694 2.415 1.00 7.31 O ATOM 713 CB VAL A 199 11.962 -1.881 1.281 1.00 7.25 C ATOM 714 CG1 VAL A 199 12.412 -0.541 0.712 1.00 7.19 C ATOM 715 CG2 VAL A 199 10.472 -2.072 1.070 1.00 7.41 C ATOM 0 H VAL A 199 11.958 -2.426 -1.180 1.00 8.07 H new ATOM 0 HA VAL A 199 13.828 -2.895 0.844 1.00 7.70 H new ATOM 0 HB VAL A 199 12.160 -1.878 2.353 1.00 7.25 H new ATOM 0 HG11 VAL A 199 11.830 0.261 1.166 1.00 7.19 H new ATOM 0 HG12 VAL A 199 13.469 -0.390 0.929 1.00 7.19 H new ATOM 0 HG13 VAL A 199 12.259 -0.534 -0.367 1.00 7.19 H new ATOM 0 HG21 VAL A 199 9.931 -1.236 1.515 1.00 7.41 H new ATOM 0 HG22 VAL A 199 10.258 -2.115 0.002 1.00 7.41 H new ATOM 0 HG23 VAL A 199 10.154 -3.002 1.542 1.00 7.41 H new ATOM 725 N THR A 200 11.447 -5.091 0.688 1.00 7.10 N ATOM 726 CA THR A 200 10.952 -6.339 1.235 1.00 6.83 C ATOM 727 C THR A 200 11.916 -7.503 0.995 1.00 7.39 C ATOM 728 O THR A 200 11.843 -8.521 1.677 1.00 7.30 O ATOM 729 CB THR A 200 9.563 -6.677 0.674 1.00 6.60 C ATOM 730 OG1 THR A 200 9.492 -6.321 -0.715 1.00 6.76 O ATOM 731 CG2 THR A 200 8.476 -5.942 1.455 1.00 6.11 C ATOM 0 H THR A 200 11.051 -4.841 -0.218 1.00 7.10 H new ATOM 0 HA THR A 200 10.872 -6.195 2.313 1.00 6.83 H new ATOM 0 HB THR A 200 9.401 -7.750 0.777 1.00 6.60 H new ATOM 0 HG1 THR A 200 9.109 -5.423 -0.803 1.00 6.76 H new ATOM 0 HG21 THR A 200 7.499 -6.194 1.043 1.00 6.11 H new ATOM 0 HG22 THR A 200 8.516 -6.240 2.503 1.00 6.11 H new ATOM 0 HG23 THR A 200 8.636 -4.867 1.377 1.00 6.11 H new ATOM 739 N ALA A 201 12.824 -7.349 0.032 1.00 8.02 N ATOM 740 CA ALA A 201 13.791 -8.402 -0.285 1.00 8.63 C ATOM 741 C ALA A 201 14.663 -8.744 0.925 1.00 8.64 C ATOM 742 O ALA A 201 15.176 -9.858 1.043 1.00 8.93 O ATOM 743 CB ALA A 201 14.664 -7.991 -1.459 1.00 9.32 C ATOM 0 H ALA A 201 12.911 -6.509 -0.541 1.00 8.02 H new ATOM 0 HA ALA A 201 13.227 -9.294 -0.558 1.00 8.63 H new ATOM 0 HB1 ALA A 201 15.376 -8.787 -1.679 1.00 9.32 H new ATOM 0 HB2 ALA A 201 14.038 -7.812 -2.333 1.00 9.32 H new ATOM 0 HB3 ALA A 201 15.205 -7.079 -1.208 1.00 9.32 H new ATOM 749 N LEU A 202 14.799 -7.780 1.829 1.00 8.38 N ATOM 750 CA LEU A 202 15.600 -7.947 3.042 1.00 8.45 C ATOM 751 C LEU A 202 15.004 -9.005 3.972 1.00 8.04 C ATOM 752 O LEU A 202 15.697 -9.547 4.835 1.00 8.27 O ATOM 753 CB LEU A 202 15.710 -6.613 3.780 1.00 8.32 C ATOM 754 CG LEU A 202 16.201 -5.434 2.941 1.00 8.50 C ATOM 755 CD1 LEU A 202 16.233 -4.179 3.788 1.00 8.35 C ATOM 756 CD2 LEU A 202 17.576 -5.706 2.344 1.00 9.03 C ATOM 0 H LEU A 202 14.360 -6.863 1.745 1.00 8.38 H new ATOM 0 HA LEU A 202 16.592 -8.285 2.742 1.00 8.45 H new ATOM 0 HB2 LEU A 202 14.731 -6.362 4.189 1.00 8.32 H new ATOM 0 HB3 LEU A 202 16.386 -6.741 4.626 1.00 8.32 H new ATOM 0 HG LEU A 202 15.505 -5.294 2.114 1.00 8.50 H new ATOM 0 HD11 LEU A 202 16.584 -3.342 3.185 1.00 8.35 H new ATOM 0 HD12 LEU A 202 15.231 -3.964 4.158 1.00 8.35 H new ATOM 0 HD13 LEU A 202 16.908 -4.326 4.631 1.00 8.35 H new ATOM 0 HD21 LEU A 202 17.893 -4.846 1.754 1.00 9.03 H new ATOM 0 HD22 LEU A 202 18.293 -5.880 3.146 1.00 9.03 H new ATOM 0 HD23 LEU A 202 17.527 -6.587 1.704 1.00 9.03 H new ATOM 768 N ALA A 203 13.722 -9.299 3.777 1.00 7.51 N ATOM 769 CA ALA A 203 13.010 -10.277 4.595 1.00 7.19 C ATOM 770 C ALA A 203 13.710 -11.636 4.593 1.00 7.64 C ATOM 771 O ALA A 203 13.942 -12.227 5.641 1.00 7.71 O ATOM 772 CB ALA A 203 11.578 -10.431 4.097 1.00 6.60 C ATOM 0 H ALA A 203 13.149 -8.869 3.051 1.00 7.51 H new ATOM 0 HA ALA A 203 13.003 -9.907 5.620 1.00 7.19 H new ATOM 0 HB1 ALA A 203 11.055 -11.162 4.713 1.00 6.60 H new ATOM 0 HB2 ALA A 203 11.066 -9.471 4.160 1.00 6.60 H new ATOM 0 HB3 ALA A 203 11.588 -10.770 3.061 1.00 6.60 H new ATOM 778 N GLN A 204 14.054 -12.112 3.403 1.00 8.03 N ATOM 779 CA GLN A 204 14.705 -13.405 3.255 1.00 8.56 C ATOM 780 C GLN A 204 16.218 -13.303 3.397 1.00 9.11 C ATOM 781 O GLN A 204 16.918 -14.312 3.395 1.00 9.51 O ATOM 782 CB GLN A 204 14.316 -14.028 1.919 1.00 8.89 C ATOM 783 CG GLN A 204 12.946 -14.677 1.963 1.00 8.56 C ATOM 784 CD GLN A 204 12.873 -15.768 3.008 1.00 8.93 C ATOM 785 OE1 GLN A 204 12.638 -15.500 4.187 1.00 9.22 O ATOM 786 NE2 GLN A 204 13.077 -17.007 2.592 1.00 9.16 N ATOM 0 H GLN A 204 13.892 -11.619 2.525 1.00 8.03 H new ATOM 0 HA GLN A 204 14.361 -14.052 4.062 1.00 8.56 H new ATOM 0 HB2 GLN A 204 14.327 -13.260 1.146 1.00 8.89 H new ATOM 0 HB3 GLN A 204 15.060 -14.774 1.638 1.00 8.89 H new ATOM 0 HG2 GLN A 204 12.192 -13.919 2.176 1.00 8.56 H new ATOM 0 HG3 GLN A 204 12.711 -15.095 0.984 1.00 8.56 H new ATOM 0 HE21 GLN A 204 13.269 -17.189 1.607 1.00 9.16 H new ATOM 0 HE22 GLN A 204 13.042 -17.780 3.256 1.00 9.16 H new ATOM 795 N GLN A 205 16.725 -12.080 3.515 1.00 9.17 N ATOM 796 CA GLN A 205 18.164 -11.849 3.641 1.00 9.72 C ATOM 797 C GLN A 205 18.625 -11.978 5.092 1.00 9.52 C ATOM 798 O GLN A 205 19.661 -11.423 5.468 1.00 9.93 O ATOM 799 CB GLN A 205 18.529 -10.460 3.109 1.00 10.00 C ATOM 800 CG GLN A 205 18.536 -10.343 1.592 1.00 10.36 C ATOM 801 CD GLN A 205 19.567 -11.240 0.939 1.00 10.95 C ATOM 802 OE1 GLN A 205 20.730 -10.864 0.791 1.00 11.13 O ATOM 803 NE2 GLN A 205 19.142 -12.422 0.524 1.00 11.44 N ATOM 0 H GLN A 205 16.161 -11.230 3.526 1.00 9.17 H new ATOM 0 HA GLN A 205 18.672 -12.611 3.050 1.00 9.72 H new ATOM 0 HB2 GLN A 205 17.823 -9.734 3.513 1.00 10.00 H new ATOM 0 HB3 GLN A 205 19.515 -10.189 3.485 1.00 10.00 H new ATOM 0 HG2 GLN A 205 17.547 -10.594 1.208 1.00 10.36 H new ATOM 0 HG3 GLN A 205 18.733 -9.308 1.313 1.00 10.36 H new ATOM 0 HE21 GLN A 205 18.169 -12.693 0.667 1.00 11.44 H new ATOM 0 HE22 GLN A 205 19.787 -13.062 0.061 1.00 11.44 H new ATOM 812 N LYS A 206 17.853 -12.712 5.894 1.00 8.93 N ATOM 813 CA LYS A 206 18.165 -12.933 7.307 1.00 8.75 C ATOM 814 C LYS A 206 18.344 -11.613 8.051 1.00 8.72 C ATOM 815 O LYS A 206 19.379 -11.380 8.677 1.00 8.89 O ATOM 816 CB LYS A 206 19.428 -13.782 7.443 1.00 9.26 C ATOM 817 CG LYS A 206 19.339 -15.110 6.716 1.00 9.36 C ATOM 818 CD LYS A 206 20.706 -15.581 6.258 1.00 9.64 C ATOM 819 CE LYS A 206 20.630 -16.951 5.608 1.00 9.95 C ATOM 820 NZ LYS A 206 21.933 -17.359 5.024 1.00 10.29 N1+ ATOM 0 H LYS A 206 16.996 -13.169 5.584 1.00 8.93 H new ATOM 0 HA LYS A 206 17.324 -13.463 7.754 1.00 8.75 H new ATOM 0 HB2 LYS A 206 20.278 -13.220 7.056 1.00 9.26 H new ATOM 0 HB3 LYS A 206 19.622 -13.966 8.500 1.00 9.26 H new ATOM 0 HG2 LYS A 206 18.896 -15.858 7.374 1.00 9.36 H new ATOM 0 HG3 LYS A 206 18.679 -15.012 5.854 1.00 9.36 H new ATOM 0 HD2 LYS A 206 21.122 -14.863 5.551 1.00 9.64 H new ATOM 0 HD3 LYS A 206 21.384 -15.618 7.110 1.00 9.64 H new ATOM 0 HE2 LYS A 206 20.317 -17.687 6.348 1.00 9.95 H new ATOM 0 HE3 LYS A 206 19.869 -16.941 4.827 1.00 9.95 H new ATOM 0 HZ1 LYS A 206 21.840 -18.299 4.590 1.00 10.29 H new ATOM 0 HZ2 LYS A 206 22.220 -16.670 4.299 1.00 10.29 H new ATOM 0 HZ3 LYS A 206 22.654 -17.394 5.773 1.00 10.29 H new ATOM 834 N LEU A 207 17.342 -10.749 7.970 1.00 8.58 N ATOM 835 CA LEU A 207 17.409 -9.452 8.633 1.00 8.66 C ATOM 836 C LEU A 207 16.157 -9.191 9.458 1.00 8.06 C ATOM 837 O LEU A 207 16.226 -8.620 10.545 1.00 8.10 O ATOM 838 CB LEU A 207 17.602 -8.333 7.602 1.00 9.02 C ATOM 839 CG LEU A 207 18.967 -8.311 6.910 1.00 9.66 C ATOM 840 CD1 LEU A 207 18.894 -7.557 5.593 1.00 9.96 C ATOM 841 CD2 LEU A 207 20.012 -7.687 7.820 1.00 10.21 C ATOM 0 H LEU A 207 16.478 -10.920 7.456 1.00 8.58 H new ATOM 0 HA LEU A 207 18.265 -9.465 9.307 1.00 8.66 H new ATOM 0 HB2 LEU A 207 16.828 -8.426 6.840 1.00 9.02 H new ATOM 0 HB3 LEU A 207 17.448 -7.374 8.097 1.00 9.02 H new ATOM 0 HG LEU A 207 19.258 -9.340 6.698 1.00 9.66 H new ATOM 0 HD11 LEU A 207 19.876 -7.555 5.120 1.00 9.96 H new ATOM 0 HD12 LEU A 207 18.175 -8.044 4.934 1.00 9.96 H new ATOM 0 HD13 LEU A 207 18.579 -6.530 5.779 1.00 9.96 H new ATOM 0 HD21 LEU A 207 20.977 -7.679 7.314 1.00 10.21 H new ATOM 0 HD22 LEU A 207 19.720 -6.665 8.062 1.00 10.21 H new ATOM 0 HD23 LEU A 207 20.089 -8.269 8.738 1.00 10.21 H new ATOM 853 N LEU A 208 15.012 -9.608 8.937 1.00 7.59 N ATOM 854 CA LEU A 208 13.745 -9.408 9.625 1.00 7.05 C ATOM 855 C LEU A 208 13.326 -10.656 10.383 1.00 6.95 C ATOM 856 O LEU A 208 13.527 -11.777 9.916 1.00 6.96 O ATOM 857 CB LEU A 208 12.652 -9.019 8.631 1.00 6.63 C ATOM 858 CG LEU A 208 12.591 -7.530 8.288 1.00 6.34 C ATOM 859 CD1 LEU A 208 13.701 -7.154 7.314 1.00 6.60 C ATOM 860 CD2 LEU A 208 11.228 -7.176 7.712 1.00 5.96 C ATOM 0 H LEU A 208 14.934 -10.087 8.040 1.00 7.59 H new ATOM 0 HA LEU A 208 13.884 -8.599 10.342 1.00 7.05 H new ATOM 0 HB2 LEU A 208 12.802 -9.583 7.710 1.00 6.63 H new ATOM 0 HB3 LEU A 208 11.687 -9.323 9.037 1.00 6.63 H new ATOM 0 HG LEU A 208 12.738 -6.959 9.205 1.00 6.34 H new ATOM 0 HD11 LEU A 208 13.638 -6.090 7.084 1.00 6.60 H new ATOM 0 HD12 LEU A 208 14.669 -7.371 7.764 1.00 6.60 H new ATOM 0 HD13 LEU A 208 13.590 -7.731 6.396 1.00 6.60 H new ATOM 0 HD21 LEU A 208 11.199 -6.113 7.473 1.00 5.96 H new ATOM 0 HD22 LEU A 208 11.054 -7.757 6.806 1.00 5.96 H new ATOM 0 HD23 LEU A 208 10.453 -7.404 8.444 1.00 5.96 H new ATOM 872 N THR A 209 12.750 -10.450 11.551 1.00 6.97 N ATOM 873 CA THR A 209 12.288 -11.547 12.382 1.00 7.00 C ATOM 874 C THR A 209 10.779 -11.715 12.218 1.00 6.57 C ATOM 875 O THR A 209 10.119 -10.829 11.663 1.00 6.24 O ATOM 876 CB THR A 209 12.610 -11.274 13.868 1.00 7.40 C ATOM 877 OG1 THR A 209 11.772 -10.224 14.367 1.00 7.39 O ATOM 878 CG2 THR A 209 14.068 -10.884 14.038 1.00 7.89 C ATOM 0 H THR A 209 12.589 -9.525 11.950 1.00 6.97 H new ATOM 0 HA THR A 209 12.799 -12.458 12.070 1.00 7.00 H new ATOM 0 HB THR A 209 12.423 -12.188 14.432 1.00 7.40 H new ATOM 0 HG1 THR A 209 12.216 -9.360 14.235 1.00 7.39 H new ATOM 0 HG21 THR A 209 14.274 -10.696 15.092 1.00 7.89 H new ATOM 0 HG22 THR A 209 14.705 -11.694 13.683 1.00 7.89 H new ATOM 0 HG23 THR A 209 14.273 -9.982 13.462 1.00 7.89 H new ATOM 886 N PRO A 210 10.203 -12.850 12.664 1.00 6.66 N ATOM 887 CA PRO A 210 8.753 -13.075 12.592 1.00 6.45 C ATOM 888 C PRO A 210 7.967 -11.980 13.314 1.00 6.38 C ATOM 889 O PRO A 210 6.764 -11.828 13.111 1.00 6.16 O ATOM 890 CB PRO A 210 8.549 -14.430 13.285 1.00 6.85 C ATOM 891 CG PRO A 210 9.831 -14.733 13.981 1.00 7.16 C ATOM 892 CD PRO A 210 10.906 -14.024 13.209 1.00 7.08 C ATOM 0 HA PRO A 210 8.393 -13.061 11.563 1.00 6.45 H new ATOM 0 HB2 PRO A 210 7.722 -14.385 13.993 1.00 6.85 H new ATOM 0 HB3 PRO A 210 8.306 -15.206 12.560 1.00 6.85 H new ATOM 0 HG2 PRO A 210 9.803 -14.389 15.015 1.00 7.16 H new ATOM 0 HG3 PRO A 210 10.015 -15.807 14.007 1.00 7.16 H new ATOM 0 HD2 PRO A 210 11.739 -13.734 13.850 1.00 7.08 H new ATOM 0 HD3 PRO A 210 11.316 -14.652 12.418 1.00 7.08 H new ATOM 900 N GLN A 211 8.658 -11.216 14.153 1.00 6.66 N ATOM 901 CA GLN A 211 8.035 -10.129 14.889 1.00 6.77 C ATOM 902 C GLN A 211 8.068 -8.835 14.080 1.00 6.45 C ATOM 903 O GLN A 211 7.143 -8.023 14.148 1.00 6.38 O ATOM 904 CB GLN A 211 8.732 -9.925 16.234 1.00 7.30 C ATOM 905 CG GLN A 211 8.300 -10.920 17.297 1.00 7.72 C ATOM 906 CD GLN A 211 6.802 -10.913 17.512 1.00 8.30 C ATOM 907 OE1 GLN A 211 6.280 -10.120 18.294 1.00 8.70 O ATOM 908 NE2 GLN A 211 6.098 -11.799 16.826 1.00 8.61 N ATOM 0 H GLN A 211 9.654 -11.333 14.339 1.00 6.66 H new ATOM 0 HA GLN A 211 6.994 -10.397 15.069 1.00 6.77 H new ATOM 0 HB2 GLN A 211 9.810 -10.003 16.091 1.00 7.30 H new ATOM 0 HB3 GLN A 211 8.530 -8.915 16.590 1.00 7.30 H new ATOM 0 HG2 GLN A 211 8.619 -11.921 17.006 1.00 7.72 H new ATOM 0 HG3 GLN A 211 8.801 -10.686 18.236 1.00 7.72 H new ATOM 0 HE21 GLN A 211 6.569 -12.440 16.187 1.00 8.61 H new ATOM 0 HE22 GLN A 211 5.085 -11.841 16.936 1.00 8.61 H new ATOM 917 N ASP A 212 9.129 -8.655 13.298 1.00 6.37 N ATOM 918 CA ASP A 212 9.282 -7.455 12.481 1.00 6.18 C ATOM 919 C ASP A 212 8.389 -7.520 11.253 1.00 5.63 C ATOM 920 O ASP A 212 7.919 -6.494 10.760 1.00 5.44 O ATOM 921 CB ASP A 212 10.734 -7.277 12.035 1.00 6.44 C ATOM 922 CG ASP A 212 11.701 -7.192 13.194 1.00 7.03 C ATOM 923 OD1 ASP A 212 11.558 -6.276 14.036 1.00 7.38 O ATOM 924 OD2 ASP A 212 12.610 -8.044 13.268 1.00 7.34 O1- ATOM 0 H ASP A 212 9.894 -9.324 13.213 1.00 6.37 H new ATOM 0 HA ASP A 212 8.990 -6.603 13.095 1.00 6.18 H new ATOM 0 HB2 ASP A 212 11.016 -8.112 11.394 1.00 6.44 H new ATOM 0 HB3 ASP A 212 10.815 -6.371 11.434 1.00 6.44 H new ATOM 929 N MET A 213 8.149 -8.735 10.768 1.00 5.47 N ATOM 930 CA MET A 213 7.313 -8.942 9.587 1.00 5.06 C ATOM 931 C MET A 213 5.886 -8.443 9.818 1.00 4.94 C ATOM 932 O MET A 213 5.189 -8.068 8.873 1.00 4.64 O ATOM 933 CB MET A 213 7.302 -10.426 9.190 1.00 5.15 C ATOM 934 CG MET A 213 6.403 -11.307 10.047 1.00 5.33 C ATOM 935 SD MET A 213 6.464 -13.045 9.564 1.00 5.56 S ATOM 936 CE MET A 213 5.720 -12.969 7.936 1.00 5.57 C ATOM 0 H MET A 213 8.522 -9.593 11.175 1.00 5.47 H new ATOM 0 HA MET A 213 7.742 -8.361 8.770 1.00 5.06 H new ATOM 0 HB2 MET A 213 6.984 -10.508 8.151 1.00 5.15 H new ATOM 0 HB3 MET A 213 8.321 -10.810 9.243 1.00 5.15 H new ATOM 0 HG2 MET A 213 6.700 -11.214 11.092 1.00 5.33 H new ATOM 0 HG3 MET A 213 5.376 -10.950 9.974 1.00 5.33 H new ATOM 0 HE1 MET A 213 5.458 -13.975 7.608 1.00 5.57 H new ATOM 0 HE2 MET A 213 4.821 -12.355 7.975 1.00 5.57 H new ATOM 0 HE3 MET A 213 6.428 -12.531 7.232 1.00 5.57 H new ATOM 946 N GLU A 214 5.464 -8.430 11.077 1.00 5.29 N ATOM 947 CA GLU A 214 4.129 -7.974 11.432 1.00 5.44 C ATOM 948 C GLU A 214 4.086 -6.453 11.565 1.00 5.41 C ATOM 949 O GLU A 214 3.046 -5.831 11.356 1.00 5.42 O ATOM 950 CB GLU A 214 3.677 -8.627 12.740 1.00 6.00 C ATOM 951 CG GLU A 214 3.413 -10.120 12.611 1.00 6.18 C ATOM 952 CD GLU A 214 2.158 -10.425 11.812 1.00 6.23 C ATOM 953 OE1 GLU A 214 1.062 -10.470 12.412 1.00 6.43 O ATOM 954 OE2 GLU A 214 2.258 -10.623 10.583 1.00 6.40 O1- ATOM 0 H GLU A 214 6.030 -8.731 11.870 1.00 5.29 H new ATOM 0 HA GLU A 214 3.448 -8.267 10.633 1.00 5.44 H new ATOM 0 HB2 GLU A 214 4.440 -8.465 13.501 1.00 6.00 H new ATOM 0 HB3 GLU A 214 2.770 -8.134 13.089 1.00 6.00 H new ATOM 0 HG2 GLU A 214 4.269 -10.596 12.132 1.00 6.18 H new ATOM 0 HG3 GLU A 214 3.321 -10.556 13.606 1.00 6.18 H new ATOM 961 N ALA A 215 5.229 -5.855 11.881 1.00 5.51 N ATOM 962 CA ALA A 215 5.317 -4.408 12.046 1.00 5.66 C ATOM 963 C ALA A 215 5.221 -3.692 10.702 1.00 5.27 C ATOM 964 O ALA A 215 4.796 -2.537 10.625 1.00 5.33 O ATOM 965 CB ALA A 215 6.612 -4.037 12.755 1.00 6.08 C ATOM 0 H ALA A 215 6.109 -6.350 12.028 1.00 5.51 H new ATOM 0 HA ALA A 215 4.475 -4.085 12.658 1.00 5.66 H new ATOM 0 HB1 ALA A 215 6.666 -2.955 12.872 1.00 6.08 H new ATOM 0 HB2 ALA A 215 6.638 -4.510 13.737 1.00 6.08 H new ATOM 0 HB3 ALA A 215 7.461 -4.381 12.165 1.00 6.08 H new ATOM 971 N ALA A 216 5.602 -4.391 9.641 1.00 4.95 N ATOM 972 CA ALA A 216 5.561 -3.833 8.298 1.00 4.66 C ATOM 973 C ALA A 216 4.122 -3.670 7.822 1.00 4.31 C ATOM 974 O ALA A 216 3.838 -2.862 6.937 1.00 4.17 O ATOM 975 CB ALA A 216 6.341 -4.716 7.339 1.00 4.61 C ATOM 0 H ALA A 216 5.945 -5.351 9.686 1.00 4.95 H new ATOM 0 HA ALA A 216 6.024 -2.846 8.322 1.00 4.66 H new ATOM 0 HB1 ALA A 216 6.303 -4.288 6.337 1.00 4.61 H new ATOM 0 HB2 ALA A 216 7.379 -4.781 7.667 1.00 4.61 H new ATOM 0 HB3 ALA A 216 5.902 -5.714 7.324 1.00 4.61 H new ATOM 981 N LYS A 217 3.214 -4.433 8.425 1.00 4.31 N ATOM 982 CA LYS A 217 1.805 -4.373 8.063 1.00 4.20 C ATOM 983 C LYS A 217 1.213 -3.016 8.426 1.00 4.42 C ATOM 984 O LYS A 217 0.416 -2.456 7.673 1.00 4.34 O ATOM 985 CB LYS A 217 1.021 -5.488 8.754 1.00 4.47 C ATOM 986 CG LYS A 217 1.170 -6.839 8.080 1.00 4.63 C ATOM 987 CD LYS A 217 0.627 -7.959 8.948 1.00 5.07 C ATOM 988 CE LYS A 217 0.433 -9.237 8.149 1.00 5.46 C ATOM 989 NZ LYS A 217 0.062 -10.382 9.017 1.00 5.88 N1+ ATOM 0 H LYS A 217 3.431 -5.099 9.166 1.00 4.31 H new ATOM 0 HA LYS A 217 1.729 -4.510 6.984 1.00 4.20 H new ATOM 0 HB2 LYS A 217 1.354 -5.568 9.789 1.00 4.47 H new ATOM 0 HB3 LYS A 217 -0.035 -5.218 8.779 1.00 4.47 H new ATOM 0 HG2 LYS A 217 0.644 -6.830 7.125 1.00 4.63 H new ATOM 0 HG3 LYS A 217 2.222 -7.024 7.863 1.00 4.63 H new ATOM 0 HD2 LYS A 217 1.313 -8.146 9.774 1.00 5.07 H new ATOM 0 HD3 LYS A 217 -0.324 -7.654 9.385 1.00 5.07 H new ATOM 0 HE2 LYS A 217 -0.344 -9.082 7.400 1.00 5.46 H new ATOM 0 HE3 LYS A 217 1.352 -9.472 7.611 1.00 5.46 H new ATOM 0 HZ1 LYS A 217 -0.444 -11.095 8.454 1.00 5.88 H new ATOM 0 HZ2 LYS A 217 0.922 -10.805 9.420 1.00 5.88 H new ATOM 0 HZ3 LYS A 217 -0.553 -10.049 9.787 1.00 5.88 H new ATOM 1003 N GLU A 218 1.619 -2.493 9.575 1.00 0.00 N ATOM 1004 CA GLU A 218 1.143 -1.189 10.028 1.00 0.00 C ATOM 1005 C GLU A 218 1.578 -0.097 9.081 1.00 0.00 C ATOM 1006 O GLU A 218 0.812 0.801 8.749 1.00 0.00 O ATOM 1007 CB GLU A 218 1.671 -0.906 11.463 1.00 0.00 C ATOM 1008 CG GLU A 218 1.088 -1.817 12.592 1.00 0.00 C ATOM 1009 CD GLU A 218 1.600 -1.628 14.008 1.00 0.00 C ATOM 1010 OE1 GLU A 218 2.493 -0.796 14.260 1.00 0.00 O ATOM 1011 OE2 GLU A 218 1.070 -2.334 14.891 1.00 0.00 O1- ATOM 0 H GLU A 218 2.275 -2.948 10.210 1.00 0.00 H new ATOM 0 HA GLU A 218 0.053 -1.203 10.045 1.00 0.00 H new ATOM 0 HB2 GLU A 218 2.756 -1.013 11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 218 1.454 0.133 11.712 1.00 0.00 H new ATOM 0 HG2 GLU A 218 0.007 -1.675 12.608 1.00 0.00 H new ATOM 0 HG3 GLU A 218 1.269 -2.854 12.309 1.00 0.00 H new ATOM 1018 N VAL A 219 2.829 -0.192 8.644 1.00 4.99 N ATOM 1019 CA VAL A 219 3.402 0.782 7.726 1.00 5.07 C ATOM 1020 C VAL A 219 2.574 0.884 6.448 1.00 4.71 C ATOM 1021 O VAL A 219 2.261 1.980 5.982 1.00 4.89 O ATOM 1022 CB VAL A 219 4.858 0.410 7.373 1.00 5.20 C ATOM 1023 CG1 VAL A 219 5.466 1.428 6.429 1.00 5.47 C ATOM 1024 CG2 VAL A 219 5.699 0.285 8.636 1.00 5.63 C ATOM 0 H VAL A 219 3.468 -0.940 8.914 1.00 4.99 H new ATOM 0 HA VAL A 219 3.394 1.750 8.226 1.00 5.07 H new ATOM 0 HB VAL A 219 4.846 -0.555 6.867 1.00 5.20 H new ATOM 0 HG11 VAL A 219 6.492 1.142 6.197 1.00 5.47 H new ATOM 0 HG12 VAL A 219 4.883 1.465 5.509 1.00 5.47 H new ATOM 0 HG13 VAL A 219 5.462 2.410 6.901 1.00 5.47 H new ATOM 0 HG21 VAL A 219 6.722 0.022 8.367 1.00 5.63 H new ATOM 0 HG22 VAL A 219 5.697 1.235 9.170 1.00 5.63 H new ATOM 0 HG23 VAL A 219 5.281 -0.492 9.276 1.00 5.63 H new ATOM 1034 N TYR A 220 2.197 -0.267 5.907 1.00 4.28 N ATOM 1035 CA TYR A 220 1.403 -0.324 4.688 1.00 4.00 C ATOM 1036 C TYR A 220 0.027 0.315 4.899 1.00 4.14 C ATOM 1037 O TYR A 220 -0.470 1.039 4.036 1.00 4.18 O ATOM 1038 CB TYR A 220 1.249 -1.782 4.244 1.00 3.69 C ATOM 1039 CG TYR A 220 0.465 -1.964 2.964 1.00 3.55 C ATOM 1040 CD1 TYR A 220 0.956 -1.495 1.752 1.00 3.52 C ATOM 1041 CD2 TYR A 220 -0.763 -2.612 2.968 1.00 3.97 C ATOM 1042 CE1 TYR A 220 0.241 -1.665 0.582 1.00 3.66 C ATOM 1043 CE2 TYR A 220 -1.483 -2.785 1.802 1.00 4.12 C ATOM 1044 CZ TYR A 220 -0.977 -2.309 0.613 1.00 3.85 C ATOM 1045 OH TYR A 220 -1.696 -2.477 -0.550 1.00 4.23 O ATOM 0 H TYR A 220 2.431 -1.180 6.297 1.00 4.28 H new ATOM 0 HA TYR A 220 1.918 0.239 3.910 1.00 4.00 H new ATOM 0 HB2 TYR A 220 2.240 -2.216 4.114 1.00 3.69 H new ATOM 0 HB3 TYR A 220 0.758 -2.342 5.040 1.00 3.69 H new ATOM 0 HD1 TYR A 220 1.910 -0.990 1.724 1.00 3.52 H new ATOM 0 HD2 TYR A 220 -1.162 -2.987 3.899 1.00 3.97 H new ATOM 0 HE1 TYR A 220 0.635 -1.295 -0.353 1.00 3.66 H new ATOM 0 HE2 TYR A 220 -2.437 -3.291 1.823 1.00 4.12 H new ATOM 0 HH TYR A 220 -2.531 -2.951 -0.353 1.00 4.23 H new ATOM 1055 N LYS A 221 -0.567 0.066 6.060 1.00 4.37 N ATOM 1056 CA LYS A 221 -1.886 0.605 6.378 1.00 4.73 C ATOM 1057 C LYS A 221 -1.850 2.126 6.526 1.00 5.09 C ATOM 1058 O LYS A 221 -2.810 2.816 6.178 1.00 5.27 O ATOM 1059 CB LYS A 221 -2.430 -0.043 7.651 1.00 5.11 C ATOM 1060 CG LYS A 221 -2.743 -1.521 7.484 1.00 5.12 C ATOM 1061 CD LYS A 221 -3.356 -2.107 8.742 1.00 5.57 C ATOM 1062 CE LYS A 221 -3.588 -3.602 8.607 1.00 5.79 C ATOM 1063 NZ LYS A 221 -4.211 -4.179 9.826 1.00 6.17 N1+ ATOM 0 H LYS A 221 -0.157 -0.506 6.798 1.00 4.37 H new ATOM 0 HA LYS A 221 -2.552 0.370 5.548 1.00 4.73 H new ATOM 0 HB2 LYS A 221 -1.702 0.079 8.453 1.00 5.11 H new ATOM 0 HB3 LYS A 221 -3.335 0.481 7.959 1.00 5.11 H new ATOM 0 HG2 LYS A 221 -3.428 -1.656 6.647 1.00 5.12 H new ATOM 0 HG3 LYS A 221 -1.829 -2.062 7.238 1.00 5.12 H new ATOM 0 HD2 LYS A 221 -2.699 -1.915 9.591 1.00 5.57 H new ATOM 0 HD3 LYS A 221 -4.302 -1.609 8.952 1.00 5.57 H new ATOM 0 HE2 LYS A 221 -4.229 -3.793 7.746 1.00 5.79 H new ATOM 0 HE3 LYS A 221 -2.638 -4.101 8.414 1.00 5.79 H new ATOM 0 HZ1 LYS A 221 -4.353 -5.201 9.693 1.00 6.17 H new ATOM 0 HZ2 LYS A 221 -3.588 -4.019 10.643 1.00 6.17 H new ATOM 0 HZ3 LYS A 221 -5.129 -3.722 9.996 1.00 6.17 H new ATOM 1077 N ILE A 222 -0.747 2.651 7.042 1.00 5.30 N ATOM 1078 CA ILE A 222 -0.608 4.092 7.214 1.00 5.78 C ATOM 1079 C ILE A 222 -0.243 4.743 5.876 1.00 5.68 C ATOM 1080 O ILE A 222 -0.603 5.889 5.605 1.00 6.01 O ATOM 1081 CB ILE A 222 0.455 4.437 8.283 1.00 6.15 C ATOM 1082 CG1 ILE A 222 0.162 3.679 9.582 1.00 6.30 C ATOM 1083 CG2 ILE A 222 0.485 5.936 8.545 1.00 6.74 C ATOM 1084 CD1 ILE A 222 1.338 3.621 10.538 1.00 6.53 C ATOM 0 H ILE A 222 0.059 2.106 7.347 1.00 5.30 H new ATOM 0 HA ILE A 222 -1.564 4.484 7.560 1.00 5.78 H new ATOM 0 HB ILE A 222 1.433 4.133 7.909 1.00 6.15 H new ATOM 0 HG12 ILE A 222 -0.680 4.153 10.086 1.00 6.30 H new ATOM 0 HG13 ILE A 222 -0.145 2.662 9.337 1.00 6.30 H new ATOM 0 HG21 ILE A 222 1.239 6.158 9.300 1.00 6.74 H new ATOM 0 HG22 ILE A 222 0.729 6.462 7.622 1.00 6.74 H new ATOM 0 HG23 ILE A 222 -0.492 6.263 8.901 1.00 6.74 H new ATOM 0 HD11 ILE A 222 1.052 3.069 11.433 1.00 6.53 H new ATOM 0 HD12 ILE A 222 2.176 3.119 10.054 1.00 6.53 H new ATOM 0 HD13 ILE A 222 1.632 4.633 10.815 1.00 6.53 H new ATOM 1096 N HIS A 223 0.450 3.983 5.037 1.00 5.31 N ATOM 1097 CA HIS A 223 0.873 4.456 3.721 1.00 5.36 C ATOM 1098 C HIS A 223 -0.331 4.714 2.821 1.00 5.26 C ATOM 1099 O HIS A 223 -0.444 5.780 2.209 1.00 5.59 O ATOM 1100 CB HIS A 223 1.801 3.420 3.070 1.00 5.11 C ATOM 1101 CG HIS A 223 2.640 3.953 1.944 1.00 5.45 C ATOM 1102 ND1 HIS A 223 3.306 3.108 1.091 1.00 5.42 N ATOM 1103 CD2 HIS A 223 2.902 5.236 1.585 1.00 5.95 C ATOM 1104 CE1 HIS A 223 3.949 3.885 0.236 1.00 5.92 C ATOM 1105 NE2 HIS A 223 3.736 5.182 0.495 1.00 6.23 N ATOM 0 H HIS A 223 0.734 3.026 5.246 1.00 5.31 H new ATOM 0 HA HIS A 223 1.411 5.395 3.849 1.00 5.36 H new ATOM 0 HB2 HIS A 223 2.461 3.011 3.835 1.00 5.11 H new ATOM 0 HB3 HIS A 223 1.196 2.594 2.696 1.00 5.11 H new ATOM 0 HD2 HIS A 223 2.527 6.128 2.065 1.00 5.95 H new ATOM 0 HE1 HIS A 223 4.568 3.520 -0.570 1.00 5.92 H new ATOM 0 HE2 HIS A 223 4.119 5.976 -0.018 1.00 6.23 H new ATOM 1113 N GLN A 224 -1.238 3.742 2.760 1.00 4.91 N ATOM 1114 CA GLN A 224 -2.432 3.860 1.927 1.00 4.90 C ATOM 1115 C GLN A 224 -3.358 4.964 2.428 1.00 5.38 C ATOM 1116 O GLN A 224 -4.153 5.509 1.665 1.00 5.57 O ATOM 1117 CB GLN A 224 -3.185 2.527 1.870 1.00 4.63 C ATOM 1118 CG GLN A 224 -3.657 2.021 3.225 1.00 4.79 C ATOM 1119 CD GLN A 224 -4.388 0.698 3.128 1.00 4.97 C ATOM 1120 OE1 GLN A 224 -3.777 -0.368 3.180 1.00 5.09 O ATOM 1121 NE2 GLN A 224 -5.702 0.755 2.984 1.00 5.38 N ATOM 0 H GLN A 224 -1.169 2.865 3.277 1.00 4.91 H new ATOM 0 HA GLN A 224 -2.104 4.125 0.922 1.00 4.90 H new ATOM 0 HB2 GLN A 224 -4.049 2.638 1.215 1.00 4.63 H new ATOM 0 HB3 GLN A 224 -2.537 1.775 1.419 1.00 4.63 H new ATOM 0 HG2 GLN A 224 -2.798 1.910 3.887 1.00 4.79 H new ATOM 0 HG3 GLN A 224 -4.315 2.763 3.677 1.00 4.79 H new ATOM 0 HE21 GLN A 224 -6.172 1.659 2.945 1.00 5.38 H new ATOM 0 HE22 GLN A 224 -6.245 -0.105 2.912 1.00 5.38 H new ATOM 1130 N GLN A 225 -3.249 5.294 3.707 1.00 5.66 N ATOM 1131 CA GLN A 225 -4.078 6.335 4.302 1.00 6.22 C ATOM 1132 C GLN A 225 -3.773 7.692 3.684 1.00 6.53 C ATOM 1133 O GLN A 225 -4.675 8.385 3.215 1.00 6.88 O ATOM 1134 CB GLN A 225 -3.856 6.399 5.813 1.00 6.56 C ATOM 1135 CG GLN A 225 -4.842 5.568 6.615 1.00 6.94 C ATOM 1136 CD GLN A 225 -4.439 5.440 8.071 1.00 7.36 C ATOM 1137 OE1 GLN A 225 -4.754 6.302 8.896 1.00 7.76 O ATOM 1138 NE2 GLN A 225 -3.742 4.367 8.398 1.00 7.56 N ATOM 0 H GLN A 225 -2.594 4.856 4.354 1.00 5.66 H new ATOM 0 HA GLN A 225 -5.120 6.085 4.103 1.00 6.22 H new ATOM 0 HB2 GLN A 225 -2.844 6.060 6.036 1.00 6.56 H new ATOM 0 HB3 GLN A 225 -3.923 7.438 6.137 1.00 6.56 H new ATOM 0 HG2 GLN A 225 -5.831 6.022 6.553 1.00 6.94 H new ATOM 0 HG3 GLN A 225 -4.919 4.574 6.173 1.00 6.94 H new ATOM 0 HE21 GLN A 225 -3.502 3.678 7.685 1.00 7.56 H new ATOM 0 HE22 GLN A 225 -3.444 4.227 9.363 1.00 7.56 H new ATOM 1147 N LEU A 226 -2.496 8.049 3.672 1.00 6.49 N ATOM 1148 CA LEU A 226 -2.051 9.328 3.124 1.00 6.92 C ATOM 1149 C LEU A 226 -2.407 9.456 1.648 1.00 6.85 C ATOM 1150 O LEU A 226 -2.878 10.505 1.200 1.00 7.28 O ATOM 1151 CB LEU A 226 -0.539 9.478 3.303 1.00 7.02 C ATOM 1152 CG LEU A 226 -0.057 9.542 4.750 1.00 7.62 C ATOM 1153 CD1 LEU A 226 1.462 9.499 4.805 1.00 7.93 C ATOM 1154 CD2 LEU A 226 -0.581 10.796 5.430 1.00 8.09 C ATOM 0 H LEU A 226 -1.743 7.467 4.038 1.00 6.49 H new ATOM 0 HA LEU A 226 -2.565 10.120 3.668 1.00 6.92 H new ATOM 0 HB2 LEU A 226 -0.046 8.640 2.810 1.00 7.02 H new ATOM 0 HB3 LEU A 226 -0.217 10.384 2.790 1.00 7.02 H new ATOM 0 HG LEU A 226 -0.446 8.675 5.283 1.00 7.62 H new ATOM 0 HD11 LEU A 226 1.790 9.546 5.843 1.00 7.93 H new ATOM 0 HD12 LEU A 226 1.816 8.572 4.354 1.00 7.93 H new ATOM 0 HD13 LEU A 226 1.870 10.348 4.257 1.00 7.93 H new ATOM 0 HD21 LEU A 226 -0.228 10.826 6.461 1.00 8.09 H new ATOM 0 HD22 LEU A 226 -0.221 11.676 4.898 1.00 8.09 H new ATOM 0 HD23 LEU A 226 -1.671 10.787 5.420 1.00 8.09 H new ATOM 1166 N LEU A 227 -2.192 8.384 0.904 1.00 6.38 N ATOM 1167 CA LEU A 227 -2.476 8.376 -0.522 1.00 6.38 C ATOM 1168 C LEU A 227 -3.976 8.469 -0.787 1.00 6.51 C ATOM 1169 O LEU A 227 -4.407 9.176 -1.699 1.00 6.81 O ATOM 1170 CB LEU A 227 -1.877 7.127 -1.168 1.00 5.94 C ATOM 1171 CG LEU A 227 -0.346 7.102 -1.191 1.00 5.92 C ATOM 1172 CD1 LEU A 227 0.164 5.727 -1.580 1.00 5.56 C ATOM 1173 CD2 LEU A 227 0.189 8.157 -2.150 1.00 6.51 C ATOM 0 H LEU A 227 -1.821 7.505 1.265 1.00 6.38 H new ATOM 0 HA LEU A 227 -2.013 9.254 -0.972 1.00 6.38 H new ATOM 0 HB2 LEU A 227 -2.235 6.248 -0.632 1.00 5.94 H new ATOM 0 HB3 LEU A 227 -2.245 7.049 -2.191 1.00 5.94 H new ATOM 0 HG LEU A 227 0.014 7.329 -0.187 1.00 5.92 H new ATOM 0 HD11 LEU A 227 1.254 5.733 -1.590 1.00 5.56 H new ATOM 0 HD12 LEU A 227 -0.189 4.990 -0.858 1.00 5.56 H new ATOM 0 HD13 LEU A 227 -0.206 5.469 -2.572 1.00 5.56 H new ATOM 0 HD21 LEU A 227 1.279 8.126 -2.154 1.00 6.51 H new ATOM 0 HD22 LEU A 227 -0.184 7.958 -3.155 1.00 6.51 H new ATOM 0 HD23 LEU A 227 -0.144 9.144 -1.828 1.00 6.51 H new ATOM 1185 N PHE A 228 -4.771 7.771 0.014 1.00 6.38 N ATOM 1186 CA PHE A 228 -6.220 7.803 -0.144 1.00 6.62 C ATOM 1187 C PHE A 228 -6.741 9.201 0.167 1.00 7.17 C ATOM 1188 O PHE A 228 -7.630 9.714 -0.513 1.00 7.44 O ATOM 1189 CB PHE A 228 -6.889 6.772 0.771 1.00 6.57 C ATOM 1190 CG PHE A 228 -8.256 6.362 0.325 1.00 6.89 C ATOM 1191 CD1 PHE A 228 -8.419 5.294 -0.539 1.00 7.04 C ATOM 1192 CD2 PHE A 228 -9.376 7.040 0.769 1.00 7.26 C ATOM 1193 CE1 PHE A 228 -9.677 4.910 -0.953 1.00 7.43 C ATOM 1194 CE2 PHE A 228 -10.636 6.663 0.359 1.00 7.64 C ATOM 1195 CZ PHE A 228 -10.789 5.595 -0.505 1.00 7.67 C ATOM 0 H PHE A 228 -4.440 7.179 0.776 1.00 6.38 H new ATOM 0 HA PHE A 228 -6.464 7.551 -1.176 1.00 6.62 H new ATOM 0 HB2 PHE A 228 -6.256 5.887 0.828 1.00 6.57 H new ATOM 0 HB3 PHE A 228 -6.954 7.183 1.778 1.00 6.57 H new ATOM 0 HD1 PHE A 228 -7.552 4.756 -0.893 1.00 7.04 H new ATOM 0 HD2 PHE A 228 -9.262 7.875 1.445 1.00 7.26 H new ATOM 0 HE1 PHE A 228 -9.792 4.074 -1.627 1.00 7.43 H new ATOM 0 HE2 PHE A 228 -11.503 7.201 0.712 1.00 7.64 H new ATOM 0 HZ PHE A 228 -11.775 5.297 -0.829 1.00 7.67 H new ATOM 1205 N LYS A 229 -6.166 9.816 1.194 1.00 7.38 N ATOM 1206 CA LYS A 229 -6.551 11.158 1.601 1.00 7.96 C ATOM 1207 C LYS A 229 -6.216 12.168 0.509 1.00 8.17 C ATOM 1208 O LYS A 229 -7.028 13.030 0.182 1.00 8.60 O ATOM 1209 CB LYS A 229 -5.845 11.541 2.902 1.00 8.19 C ATOM 1210 CG LYS A 229 -6.488 10.950 4.145 1.00 8.20 C ATOM 1211 CD LYS A 229 -5.482 10.803 5.273 1.00 8.62 C ATOM 1212 CE LYS A 229 -6.139 10.954 6.634 1.00 8.81 C ATOM 1213 NZ LYS A 229 -6.640 12.337 6.859 1.00 9.36 N1+ ATOM 0 H LYS A 229 -5.427 9.402 1.762 1.00 7.38 H new ATOM 0 HA LYS A 229 -7.628 11.169 1.766 1.00 7.96 H new ATOM 0 HB2 LYS A 229 -4.807 11.214 2.851 1.00 8.19 H new ATOM 0 HB3 LYS A 229 -5.833 12.627 2.992 1.00 8.19 H new ATOM 0 HG2 LYS A 229 -7.310 11.588 4.470 1.00 8.20 H new ATOM 0 HG3 LYS A 229 -6.915 9.976 3.907 1.00 8.20 H new ATOM 0 HD2 LYS A 229 -5.001 9.827 5.207 1.00 8.62 H new ATOM 0 HD3 LYS A 229 -4.698 11.552 5.162 1.00 8.62 H new ATOM 0 HE2 LYS A 229 -6.967 10.250 6.717 1.00 8.81 H new ATOM 0 HE3 LYS A 229 -5.422 10.696 7.414 1.00 8.81 H new ATOM 0 HZ1 LYS A 229 -6.701 12.522 7.881 1.00 9.36 H new ATOM 0 HZ2 LYS A 229 -5.987 13.018 6.422 1.00 9.36 H new ATOM 0 HZ3 LYS A 229 -7.583 12.439 6.431 1.00 9.36 H new ATOM 1227 N ALA A 230 -5.016 12.046 -0.054 1.00 7.94 N ATOM 1228 CA ALA A 230 -4.565 12.942 -1.113 1.00 8.24 C ATOM 1229 C ALA A 230 -5.389 12.766 -2.386 1.00 8.26 C ATOM 1230 O ALA A 230 -5.540 13.702 -3.176 1.00 8.69 O ATOM 1231 CB ALA A 230 -3.090 12.718 -1.404 1.00 8.09 C ATOM 0 H ALA A 230 -4.337 11.332 0.208 1.00 7.94 H new ATOM 0 HA ALA A 230 -4.707 13.965 -0.764 1.00 8.24 H new ATOM 0 HB1 ALA A 230 -2.769 13.394 -2.196 1.00 8.09 H new ATOM 0 HB2 ALA A 230 -2.508 12.912 -0.503 1.00 8.09 H new ATOM 0 HB3 ALA A 230 -2.934 11.687 -1.721 1.00 8.09 H new ATOM 1603 N ASN B 116 -6.176 -16.075 3.417 1.00 11.51 N ATOM 1604 CA ASN B 116 -6.479 -14.775 3.999 1.00 10.99 C ATOM 1605 C ASN B 116 -5.672 -13.672 3.316 1.00 10.00 C ATOM 1606 O ASN B 116 -6.229 -12.800 2.652 1.00 9.54 O ATOM 1607 CB ASN B 116 -6.201 -14.775 5.505 1.00 11.43 C ATOM 1608 CG ASN B 116 -6.423 -13.410 6.139 1.00 11.80 C ATOM 1609 OD1 ASN B 116 -7.552 -12.924 6.210 1.00 12.04 O ATOM 1610 ND2 ASN B 116 -5.349 -12.784 6.604 1.00 12.05 N ATOM 0 HA ASN B 116 -7.539 -14.578 3.841 1.00 10.99 H new ATOM 0 HB2 ASN B 116 -6.847 -15.507 5.990 1.00 11.43 H new ATOM 0 HB3 ASN B 116 -5.173 -15.091 5.681 1.00 11.43 H new ATOM 0 HD21 ASN B 116 -5.442 -11.866 7.039 1.00 12.05 H new ATOM 0 HD22 ASN B 116 -4.430 -13.221 6.526 1.00 12.05 H new ATOM 1617 N SER B 117 -4.356 -13.714 3.490 1.00 9.85 N ATOM 1618 CA SER B 117 -3.465 -12.719 2.906 1.00 9.09 C ATOM 1619 C SER B 117 -2.069 -13.310 2.703 1.00 8.48 C ATOM 1620 O SER B 117 -1.061 -12.727 3.113 1.00 7.94 O ATOM 1621 CB SER B 117 -3.401 -11.483 3.811 1.00 9.58 C ATOM 1622 OG SER B 117 -4.669 -10.853 3.899 1.00 10.42 O ATOM 0 H SER B 117 -3.880 -14.433 4.035 1.00 9.85 H new ATOM 0 HA SER B 117 -3.854 -12.421 1.933 1.00 9.09 H new ATOM 0 HB2 SER B 117 -3.065 -11.773 4.806 1.00 9.58 H new ATOM 0 HB3 SER B 117 -2.667 -10.779 3.420 1.00 9.58 H new ATOM 0 HG SER B 117 -5.321 -11.355 3.368 1.00 10.42 H new ATOM 1628 N LYS B 118 -2.024 -14.474 2.064 1.00 8.71 N ATOM 1629 CA LYS B 118 -0.768 -15.176 1.807 1.00 8.32 C ATOM 1630 C LYS B 118 0.172 -14.365 0.916 1.00 7.50 C ATOM 1631 O LYS B 118 1.387 -14.574 0.942 1.00 7.07 O ATOM 1632 CB LYS B 118 -1.047 -16.531 1.156 1.00 9.09 C ATOM 1633 CG LYS B 118 -1.619 -17.565 2.111 1.00 9.49 C ATOM 1634 CD LYS B 118 -1.730 -18.929 1.449 1.00 10.17 C ATOM 1635 CE LYS B 118 -1.806 -20.046 2.478 1.00 10.68 C ATOM 1636 NZ LYS B 118 -0.670 -19.999 3.440 1.00 11.16 N1+ ATOM 0 H LYS B 118 -2.850 -14.956 1.711 1.00 8.71 H new ATOM 0 HA LYS B 118 -0.275 -15.320 2.769 1.00 8.32 H new ATOM 0 HB2 LYS B 118 -1.743 -16.390 0.329 1.00 9.09 H new ATOM 0 HB3 LYS B 118 -0.121 -16.917 0.730 1.00 9.09 H new ATOM 0 HG2 LYS B 118 -0.984 -17.638 2.994 1.00 9.49 H new ATOM 0 HG3 LYS B 118 -2.603 -17.243 2.452 1.00 9.49 H new ATOM 0 HD2 LYS B 118 -2.617 -18.956 0.816 1.00 10.17 H new ATOM 0 HD3 LYS B 118 -0.870 -19.090 0.799 1.00 10.17 H new ATOM 0 HE2 LYS B 118 -2.746 -19.972 3.024 1.00 10.68 H new ATOM 0 HE3 LYS B 118 -1.809 -21.009 1.968 1.00 10.68 H new ATOM 0 HZ1 LYS B 118 -0.539 -20.938 3.868 1.00 11.16 H new ATOM 0 HZ2 LYS B 118 0.198 -19.723 2.939 1.00 11.16 H new ATOM 0 HZ3 LYS B 118 -0.875 -19.304 4.186 1.00 11.16 H new ATOM 1650 N GLU B 119 -0.386 -13.441 0.134 1.00 7.48 N ATOM 1651 CA GLU B 119 0.412 -12.608 -0.763 1.00 6.99 C ATOM 1652 C GLU B 119 1.481 -11.849 0.020 1.00 6.13 C ATOM 1653 O GLU B 119 2.656 -11.864 -0.348 1.00 5.77 O ATOM 1654 CB GLU B 119 -0.479 -11.623 -1.534 1.00 7.65 C ATOM 1655 CG GLU B 119 0.292 -10.706 -2.475 1.00 8.43 C ATOM 1656 CD GLU B 119 -0.579 -9.640 -3.120 1.00 9.01 C ATOM 1657 OE1 GLU B 119 -1.544 -9.175 -2.472 1.00 9.37 O1- ATOM 1658 OE2 GLU B 119 -0.300 -9.264 -4.285 1.00 9.34 O ATOM 0 H GLU B 119 -1.388 -13.251 0.104 1.00 7.48 H new ATOM 0 HA GLU B 119 0.903 -13.263 -1.483 1.00 6.99 H new ATOM 0 HB2 GLU B 119 -1.213 -12.186 -2.110 1.00 7.65 H new ATOM 0 HB3 GLU B 119 -1.033 -11.013 -0.820 1.00 7.65 H new ATOM 0 HG2 GLU B 119 1.097 -10.222 -1.922 1.00 8.43 H new ATOM 0 HG3 GLU B 119 0.758 -11.307 -3.256 1.00 8.43 H new ATOM 1665 N TRP B 120 1.068 -11.217 1.112 1.00 6.01 N ATOM 1666 CA TRP B 120 1.983 -10.448 1.952 1.00 5.38 C ATOM 1667 C TRP B 120 3.063 -11.344 2.553 1.00 4.90 C ATOM 1668 O TRP B 120 4.251 -11.024 2.504 1.00 4.43 O ATOM 1669 CB TRP B 120 1.209 -9.744 3.075 1.00 5.80 C ATOM 1670 CG TRP B 120 2.054 -8.813 3.898 1.00 5.98 C ATOM 1671 CD1 TRP B 120 2.696 -9.103 5.069 1.00 6.39 C ATOM 1672 CD2 TRP B 120 2.338 -7.438 3.616 1.00 6.18 C ATOM 1673 NE1 TRP B 120 3.369 -7.993 5.526 1.00 6.78 N ATOM 1674 CE2 TRP B 120 3.165 -6.960 4.650 1.00 6.64 C ATOM 1675 CE3 TRP B 120 1.979 -6.564 2.583 1.00 6.35 C ATOM 1676 CZ2 TRP B 120 3.633 -5.648 4.682 1.00 7.17 C ATOM 1677 CZ3 TRP B 120 2.443 -5.265 2.618 1.00 6.93 C ATOM 1678 CH2 TRP B 120 3.262 -4.818 3.660 1.00 7.28 C ATOM 0 H TRP B 120 0.102 -11.221 1.439 1.00 6.01 H new ATOM 0 HA TRP B 120 2.466 -9.700 1.323 1.00 5.38 H new ATOM 0 HB2 TRP B 120 0.384 -9.182 2.638 1.00 5.80 H new ATOM 0 HB3 TRP B 120 0.770 -10.497 3.730 1.00 5.80 H new ATOM 0 HD1 TRP B 120 2.678 -10.063 5.564 1.00 6.39 H new ATOM 0 HE1 TRP B 120 3.928 -7.947 6.378 1.00 6.78 H new ATOM 0 HE3 TRP B 120 1.350 -6.901 1.773 1.00 6.35 H new ATOM 0 HZ2 TRP B 120 4.266 -5.299 5.485 1.00 7.17 H new ATOM 0 HZ3 TRP B 120 2.169 -4.582 1.828 1.00 6.93 H new ATOM 0 HH2 TRP B 120 3.609 -3.795 3.658 1.00 7.28 H new ATOM 1689 N THR B 121 2.646 -12.482 3.093 1.00 5.33 N ATOM 1690 CA THR B 121 3.563 -13.424 3.725 1.00 5.34 C ATOM 1691 C THR B 121 4.560 -14.023 2.730 1.00 5.03 C ATOM 1692 O THR B 121 5.649 -14.455 3.115 1.00 5.08 O ATOM 1693 CB THR B 121 2.782 -14.560 4.403 1.00 6.28 C ATOM 1694 OG1 THR B 121 1.464 -14.104 4.744 1.00 6.81 O ATOM 1695 CG2 THR B 121 3.498 -15.043 5.658 1.00 6.77 C ATOM 0 H THR B 121 1.670 -12.777 3.106 1.00 5.33 H new ATOM 0 HA THR B 121 4.126 -12.862 4.470 1.00 5.34 H new ATOM 0 HB THR B 121 2.714 -15.394 3.704 1.00 6.28 H new ATOM 0 HG1 THR B 121 0.968 -14.831 5.175 1.00 6.81 H new ATOM 0 HG21 THR B 121 2.924 -15.847 6.118 1.00 6.77 H new ATOM 0 HG22 THR B 121 4.489 -15.411 5.393 1.00 6.77 H new ATOM 0 HG23 THR B 121 3.594 -14.217 6.363 1.00 6.77 H new ATOM 1703 N SER B 122 4.203 -14.027 1.452 1.00 5.01 N ATOM 1704 CA SER B 122 5.073 -14.582 0.417 1.00 4.99 C ATOM 1705 C SER B 122 6.365 -13.772 0.278 1.00 4.55 C ATOM 1706 O SER B 122 7.400 -14.300 -0.143 1.00 4.76 O ATOM 1707 CB SER B 122 4.336 -14.636 -0.921 1.00 5.61 C ATOM 1708 OG SER B 122 3.187 -15.460 -0.835 1.00 6.23 O ATOM 0 H SER B 122 3.319 -13.654 1.105 1.00 5.01 H new ATOM 0 HA SER B 122 5.344 -15.595 0.716 1.00 4.99 H new ATOM 0 HB2 SER B 122 4.044 -13.629 -1.220 1.00 5.61 H new ATOM 0 HB3 SER B 122 5.004 -15.017 -1.693 1.00 5.61 H new ATOM 0 HG SER B 122 2.502 -15.011 -0.296 1.00 6.23 H new ATOM 1714 N LEU B 123 6.312 -12.502 0.673 1.00 4.24 N ATOM 1715 CA LEU B 123 7.474 -11.618 0.586 1.00 4.22 C ATOM 1716 C LEU B 123 8.473 -11.921 1.699 1.00 4.10 C ATOM 1717 O LEU B 123 9.561 -11.341 1.761 1.00 4.50 O ATOM 1718 CB LEU B 123 7.035 -10.150 0.652 1.00 4.40 C ATOM 1719 CG LEU B 123 6.543 -9.547 -0.671 1.00 5.14 C ATOM 1720 CD1 LEU B 123 5.249 -10.201 -1.129 1.00 5.74 C ATOM 1721 CD2 LEU B 123 6.351 -8.046 -0.531 1.00 5.71 C ATOM 0 H LEU B 123 5.476 -12.061 1.057 1.00 4.24 H new ATOM 0 HA LEU B 123 7.964 -11.795 -0.371 1.00 4.22 H new ATOM 0 HB2 LEU B 123 6.238 -10.060 1.391 1.00 4.40 H new ATOM 0 HB3 LEU B 123 7.873 -9.554 1.013 1.00 4.40 H new ATOM 0 HG LEU B 123 7.304 -9.738 -1.428 1.00 5.14 H new ATOM 0 HD11 LEU B 123 4.927 -9.752 -2.068 1.00 5.74 H new ATOM 0 HD12 LEU B 123 5.413 -11.269 -1.275 1.00 5.74 H new ATOM 0 HD13 LEU B 123 4.478 -10.052 -0.373 1.00 5.74 H new ATOM 0 HD21 LEU B 123 6.002 -7.634 -1.478 1.00 5.71 H new ATOM 0 HD22 LEU B 123 5.614 -7.844 0.246 1.00 5.71 H new ATOM 0 HD23 LEU B 123 7.299 -7.582 -0.261 1.00 5.71 H new