USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=12 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: A 173 MET CE :methyl -173:sc= -1.21 (180deg=-1.3) USER MOD Set 1.2: A 220 TYR OH : rot -18:sc= 1.23 USER MOD Set 1.3: A 224 GLN : amide:sc= 0 K(o=0.019,f=-1.2) USER MOD Set 2.1: A 209 THR OG1 : rot 71:sc= 1.23 USER MOD Set 2.2: A 211 GLN : amide:sc= 1.03 K(o=2.3,f=1) USER MOD Set 3.1: A 197 GLN : amide:sc= 0.0206 K(o=0.13,f=-2.1!) USER MOD Set 3.2: A 198 GLN : amide:sc= 0.112 K(o=0.13,f=-0.56) USER MOD Single : A 171 ASN : amide:sc= -0.0646 K(o=-0.065,f=-0.99) USER MOD Single : A 172 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 GLN : amide:sc=-0.00759 K(o=-0.0076,f=-0.96) USER MOD Single : A 184 GLN : amide:sc= -0.167 K(o=-0.17,f=-0.72) USER MOD Single : A 188 ASN : amide:sc=-0.00964 X(o=-0.0096,f=-0.16) USER MOD Single : A 192 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.5!) USER MOD Single : A 194 ASN : amide:sc= -0.377 K(o=-0.38,f=-2.5!) USER MOD Single : A 195 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 200 THR OG1 : rot 43:sc= 0.0482 USER MOD Single : A 204 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 205 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.23) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 213 MET CE :methyl 162:sc= -0.0326 (180deg=-0.314) USER MOD Single : A 217 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.1) USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 HIS : no HD1:sc= 0.907 K(o=0.91,f=-4.4!) USER MOD Single : A 225 GLN : amide:sc= 0.244 X(o=0.24,f=-0.15) USER MOD Single : A 229 LYS NZ :NH3+ 169:sc= -0.0243 (180deg=-0.163) USER MOD Single : B 116 ASN : amide:sc= 0.645 K(o=0.64,f=-1) USER MOD Single : B 117 SER OG : rot 180:sc= 0.0243 USER MOD Single : B 118 LYS NZ :NH3+ -167:sc= -0.0113 (180deg=-0.19) USER MOD Single : B 121 THR OG1 : rot 180:sc= 0.0395 USER MOD Single : B 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 169 -4.871 4.073 -8.426 1.00 5.81 N ATOM 201 CA LEU A 169 -4.931 3.691 -7.025 1.00 5.44 C ATOM 202 C LEU A 169 -4.106 2.434 -6.757 1.00 5.18 C ATOM 203 O LEU A 169 -3.243 2.421 -5.878 1.00 5.07 O ATOM 204 CB LEU A 169 -6.388 3.453 -6.606 1.00 5.36 C ATOM 205 CG LEU A 169 -7.186 4.714 -6.261 1.00 5.65 C ATOM 206 CD1 LEU A 169 -8.679 4.431 -6.319 1.00 5.76 C ATOM 207 CD2 LEU A 169 -6.800 5.236 -4.883 1.00 5.82 C ATOM 0 HA LEU A 169 -4.511 4.507 -6.437 1.00 5.44 H new ATOM 0 HB2 LEU A 169 -6.900 2.929 -7.413 1.00 5.36 H new ATOM 0 HB3 LEU A 169 -6.396 2.790 -5.741 1.00 5.36 H new ATOM 0 HG LEU A 169 -6.948 5.481 -6.998 1.00 5.65 H new ATOM 0 HD11 LEU A 169 -9.231 5.338 -6.071 1.00 5.76 H new ATOM 0 HD12 LEU A 169 -8.949 4.105 -7.324 1.00 5.76 H new ATOM 0 HD13 LEU A 169 -8.929 3.647 -5.604 1.00 5.76 H new ATOM 0 HD21 LEU A 169 -7.379 6.132 -4.658 1.00 5.82 H new ATOM 0 HD22 LEU A 169 -7.007 4.472 -4.133 1.00 5.82 H new ATOM 0 HD23 LEU A 169 -5.737 5.478 -4.870 1.00 5.82 H new ATOM 219 N VAL A 170 -4.360 1.386 -7.535 1.00 5.20 N ATOM 220 CA VAL A 170 -3.666 0.115 -7.355 1.00 5.06 C ATOM 221 C VAL A 170 -2.187 0.185 -7.731 1.00 5.34 C ATOM 222 O VAL A 170 -1.350 -0.456 -7.093 1.00 5.28 O ATOM 223 CB VAL A 170 -4.339 -1.029 -8.146 1.00 5.24 C ATOM 224 CG1 VAL A 170 -5.726 -1.323 -7.586 1.00 5.25 C ATOM 225 CG2 VAL A 170 -4.413 -0.711 -9.639 1.00 5.42 C ATOM 0 H VAL A 170 -5.040 1.392 -8.295 1.00 5.20 H new ATOM 0 HA VAL A 170 -3.735 -0.098 -6.288 1.00 5.06 H new ATOM 0 HB VAL A 170 -3.722 -1.920 -8.031 1.00 5.24 H new ATOM 0 HG11 VAL A 170 -6.185 -2.131 -8.156 1.00 5.25 H new ATOM 0 HG12 VAL A 170 -5.641 -1.619 -6.540 1.00 5.25 H new ATOM 0 HG13 VAL A 170 -6.346 -0.429 -7.661 1.00 5.25 H new ATOM 0 HG21 VAL A 170 -4.892 -1.538 -10.164 1.00 5.42 H new ATOM 0 HG22 VAL A 170 -4.994 0.199 -9.789 1.00 5.42 H new ATOM 0 HG23 VAL A 170 -3.406 -0.568 -10.031 1.00 5.42 H new ATOM 235 N ASN A 171 -1.865 0.964 -8.754 1.00 5.77 N ATOM 236 CA ASN A 171 -0.485 1.092 -9.212 1.00 6.24 C ATOM 237 C ASN A 171 0.403 1.715 -8.142 1.00 6.25 C ATOM 238 O ASN A 171 1.551 1.306 -7.962 1.00 6.59 O ATOM 239 CB ASN A 171 -0.413 1.928 -10.486 1.00 6.76 C ATOM 240 CG ASN A 171 0.838 1.649 -11.293 1.00 7.31 C ATOM 241 OD1 ASN A 171 1.316 0.514 -11.351 1.00 7.47 O ATOM 242 ND2 ASN A 171 1.377 2.682 -11.920 1.00 7.80 N ATOM 0 H ASN A 171 -2.539 1.517 -9.284 1.00 5.77 H new ATOM 0 HA ASN A 171 -0.120 0.086 -9.421 1.00 6.24 H new ATOM 0 HB2 ASN A 171 -1.290 1.725 -11.100 1.00 6.76 H new ATOM 0 HB3 ASN A 171 -0.445 2.986 -10.225 1.00 6.76 H new ATOM 0 HD21 ASN A 171 2.221 2.556 -12.479 1.00 7.80 H new ATOM 0 HD22 ASN A 171 0.948 3.605 -11.845 1.00 7.80 H new ATOM 249 N GLN A 172 -0.142 2.682 -7.411 1.00 6.00 N ATOM 250 CA GLN A 172 0.606 3.365 -6.367 1.00 6.13 C ATOM 251 C GLN A 172 0.759 2.480 -5.141 1.00 5.80 C ATOM 252 O GLN A 172 1.631 2.701 -4.309 1.00 6.06 O ATOM 253 CB GLN A 172 -0.076 4.675 -5.985 1.00 6.13 C ATOM 254 CG GLN A 172 0.079 5.762 -7.033 1.00 6.58 C ATOM 255 CD GLN A 172 -0.441 7.102 -6.564 1.00 6.95 C ATOM 256 OE1 GLN A 172 0.304 7.910 -6.007 1.00 7.27 O ATOM 257 NE2 GLN A 172 -1.725 7.342 -6.776 1.00 7.22 N ATOM 0 H GLN A 172 -1.101 3.009 -7.524 1.00 6.00 H new ATOM 0 HA GLN A 172 1.599 3.588 -6.758 1.00 6.13 H new ATOM 0 HB2 GLN A 172 -1.137 4.489 -5.819 1.00 6.13 H new ATOM 0 HB3 GLN A 172 0.337 5.029 -5.041 1.00 6.13 H new ATOM 0 HG2 GLN A 172 1.132 5.858 -7.298 1.00 6.58 H new ATOM 0 HG3 GLN A 172 -0.452 5.467 -7.938 1.00 6.58 H new ATOM 0 HE21 GLN A 172 -2.304 6.643 -7.241 1.00 7.22 H new ATOM 0 HE22 GLN A 172 -2.135 8.226 -6.474 1.00 7.22 H new ATOM 266 N MET A 173 -0.095 1.473 -5.032 1.00 5.33 N ATOM 267 CA MET A 173 -0.036 0.554 -3.906 1.00 5.03 C ATOM 268 C MET A 173 0.929 -0.583 -4.202 1.00 5.21 C ATOM 269 O MET A 173 1.096 -1.500 -3.399 1.00 5.01 O ATOM 270 CB MET A 173 -1.424 -0.016 -3.598 1.00 4.54 C ATOM 271 CG MET A 173 -2.363 0.976 -2.929 1.00 4.49 C ATOM 272 SD MET A 173 -1.565 1.962 -1.647 1.00 4.57 S ATOM 273 CE MET A 173 -0.949 0.691 -0.545 1.00 4.49 C ATOM 0 H MET A 173 -0.834 1.272 -5.706 1.00 5.33 H new ATOM 0 HA MET A 173 0.318 1.107 -3.036 1.00 5.03 H new ATOM 0 HB2 MET A 173 -1.878 -0.362 -4.527 1.00 4.54 H new ATOM 0 HB3 MET A 173 -1.313 -0.888 -2.953 1.00 4.54 H new ATOM 0 HG2 MET A 173 -2.775 1.643 -3.686 1.00 4.49 H new ATOM 0 HG3 MET A 173 -3.201 0.434 -2.491 1.00 4.49 H new ATOM 0 HE1 MET A 173 -0.543 1.155 0.354 1.00 4.49 H new ATOM 0 HE2 MET A 173 -1.764 0.021 -0.271 1.00 4.49 H new ATOM 0 HE3 MET A 173 -0.165 0.123 -1.046 1.00 4.49 H new ATOM 283 N LYS A 174 1.564 -0.517 -5.363 1.00 5.68 N ATOM 284 CA LYS A 174 2.501 -1.546 -5.772 1.00 6.02 C ATOM 285 C LYS A 174 3.869 -0.951 -6.089 1.00 6.49 C ATOM 286 O LYS A 174 4.887 -1.386 -5.550 1.00 6.55 O ATOM 287 CB LYS A 174 1.960 -2.302 -6.987 1.00 6.45 C ATOM 288 CG LYS A 174 2.560 -3.688 -7.163 1.00 6.44 C ATOM 289 CD LYS A 174 2.142 -4.308 -8.482 1.00 6.92 C ATOM 290 CE LYS A 174 2.962 -3.764 -9.641 1.00 7.15 C ATOM 291 NZ LYS A 174 2.421 -4.196 -10.956 1.00 7.76 N1+ ATOM 0 H LYS A 174 1.446 0.240 -6.037 1.00 5.68 H new ATOM 0 HA LYS A 174 2.619 -2.243 -4.943 1.00 6.02 H new ATOM 0 HB2 LYS A 174 0.878 -2.394 -6.894 1.00 6.45 H new ATOM 0 HB3 LYS A 174 2.154 -1.715 -7.885 1.00 6.45 H new ATOM 0 HG2 LYS A 174 3.647 -3.624 -7.118 1.00 6.44 H new ATOM 0 HG3 LYS A 174 2.244 -4.330 -6.341 1.00 6.44 H new ATOM 0 HD2 LYS A 174 2.259 -5.390 -8.429 1.00 6.92 H new ATOM 0 HD3 LYS A 174 1.085 -4.110 -8.659 1.00 6.92 H new ATOM 0 HE2 LYS A 174 2.977 -2.675 -9.595 1.00 7.15 H new ATOM 0 HE3 LYS A 174 3.994 -4.101 -9.545 1.00 7.15 H new ATOM 0 HZ1 LYS A 174 3.009 -3.804 -11.719 1.00 7.76 H new ATOM 0 HZ2 LYS A 174 2.430 -5.235 -11.011 1.00 7.76 H new ATOM 0 HZ3 LYS A 174 1.445 -3.853 -11.060 1.00 7.76 H new ATOM 305 N VAL A 175 3.891 0.048 -6.962 1.00 6.90 N ATOM 306 CA VAL A 175 5.141 0.682 -7.345 1.00 7.46 C ATOM 307 C VAL A 175 5.227 2.080 -6.755 1.00 7.44 C ATOM 308 O VAL A 175 4.920 3.069 -7.423 1.00 7.78 O ATOM 309 CB VAL A 175 5.286 0.786 -8.880 1.00 8.18 C ATOM 310 CG1 VAL A 175 6.741 0.992 -9.266 1.00 8.62 C ATOM 311 CG2 VAL A 175 4.713 -0.443 -9.568 1.00 8.33 C ATOM 0 H VAL A 175 3.062 0.433 -7.414 1.00 6.90 H new ATOM 0 HA VAL A 175 5.946 0.057 -6.958 1.00 7.46 H new ATOM 0 HB VAL A 175 4.716 1.652 -9.216 1.00 8.18 H new ATOM 0 HG11 VAL A 175 6.823 1.063 -10.351 1.00 8.62 H new ATOM 0 HG12 VAL A 175 7.111 1.912 -8.813 1.00 8.62 H new ATOM 0 HG13 VAL A 175 7.334 0.149 -8.912 1.00 8.62 H new ATOM 0 HG21 VAL A 175 4.828 -0.343 -10.647 1.00 8.33 H new ATOM 0 HG22 VAL A 175 5.244 -1.332 -9.227 1.00 8.33 H new ATOM 0 HG23 VAL A 175 3.655 -0.537 -9.323 1.00 8.33 H new ATOM 321 N ALA A 176 5.629 2.154 -5.502 1.00 7.10 N ATOM 322 CA ALA A 176 5.772 3.432 -4.826 1.00 7.14 C ATOM 323 C ALA A 176 6.793 3.340 -3.704 1.00 7.24 C ATOM 324 O ALA A 176 7.039 2.258 -3.169 1.00 6.92 O ATOM 325 CB ALA A 176 4.432 3.896 -4.276 1.00 6.59 C ATOM 0 H ALA A 176 5.863 1.344 -4.929 1.00 7.10 H new ATOM 0 HA ALA A 176 6.125 4.161 -5.555 1.00 7.14 H new ATOM 0 HB1 ALA A 176 4.558 4.855 -3.773 1.00 6.59 H new ATOM 0 HB2 ALA A 176 3.721 4.006 -5.095 1.00 6.59 H new ATOM 0 HB3 ALA A 176 4.056 3.160 -3.566 1.00 6.59 H new ATOM 331 N PRO A 177 7.437 4.463 -3.371 1.00 7.75 N ATOM 332 CA PRO A 177 8.397 4.522 -2.275 1.00 7.96 C ATOM 333 C PRO A 177 7.682 4.708 -0.945 1.00 7.58 C ATOM 334 O PRO A 177 6.521 5.128 -0.907 1.00 7.42 O ATOM 335 CB PRO A 177 9.225 5.753 -2.623 1.00 8.76 C ATOM 336 CG PRO A 177 8.272 6.658 -3.313 1.00 8.86 C ATOM 337 CD PRO A 177 7.308 5.769 -4.055 1.00 8.23 C ATOM 0 HA PRO A 177 8.993 3.616 -2.167 1.00 7.96 H new ATOM 0 HB2 PRO A 177 9.639 6.219 -1.729 1.00 8.76 H new ATOM 0 HB3 PRO A 177 10.066 5.497 -3.267 1.00 8.76 H new ATOM 0 HG2 PRO A 177 7.746 7.289 -2.596 1.00 8.86 H new ATOM 0 HG3 PRO A 177 8.795 7.323 -4.000 1.00 8.86 H new ATOM 0 HD2 PRO A 177 6.288 6.151 -4.000 1.00 8.23 H new ATOM 0 HD3 PRO A 177 7.564 5.695 -5.112 1.00 8.23 H new ATOM 345 N ILE A 178 8.373 4.416 0.139 1.00 7.53 N ATOM 346 CA ILE A 178 7.792 4.539 1.459 1.00 7.29 C ATOM 347 C ILE A 178 8.203 5.858 2.105 1.00 7.90 C ATOM 348 O ILE A 178 9.370 6.240 2.044 1.00 8.45 O ATOM 349 CB ILE A 178 8.225 3.360 2.359 1.00 7.03 C ATOM 350 CG1 ILE A 178 7.832 2.028 1.715 1.00 6.56 C ATOM 351 CG2 ILE A 178 7.616 3.480 3.748 1.00 6.79 C ATOM 352 CD1 ILE A 178 8.197 0.819 2.548 1.00 6.69 C ATOM 0 H ILE A 178 9.340 4.091 0.130 1.00 7.53 H new ATOM 0 HA ILE A 178 6.707 4.520 1.352 1.00 7.29 H new ATOM 0 HB ILE A 178 9.310 3.393 2.463 1.00 7.03 H new ATOM 0 HG12 ILE A 178 6.757 2.024 1.537 1.00 6.56 H new ATOM 0 HG13 ILE A 178 8.317 1.948 0.742 1.00 6.56 H new ATOM 0 HG21 ILE A 178 7.937 2.637 4.360 1.00 6.79 H new ATOM 0 HG22 ILE A 178 7.945 4.411 4.210 1.00 6.79 H new ATOM 0 HG23 ILE A 178 6.529 3.478 3.670 1.00 6.79 H new ATOM 0 HD11 ILE A 178 7.888 -0.088 2.028 1.00 6.69 H new ATOM 0 HD12 ILE A 178 9.275 0.798 2.705 1.00 6.69 H new ATOM 0 HD13 ILE A 178 7.691 0.875 3.512 1.00 6.69 H new ATOM 364 N PRO A 179 7.240 6.603 2.679 1.00 7.89 N ATOM 365 CA PRO A 179 7.523 7.873 3.358 1.00 8.51 C ATOM 366 C PRO A 179 8.510 7.699 4.504 1.00 8.75 C ATOM 367 O PRO A 179 8.605 6.627 5.097 1.00 8.38 O ATOM 368 CB PRO A 179 6.158 8.304 3.898 1.00 8.36 C ATOM 369 CG PRO A 179 5.174 7.611 3.034 1.00 7.74 C ATOM 370 CD PRO A 179 5.798 6.295 2.675 1.00 7.36 C ATOM 0 HA PRO A 179 7.979 8.601 2.687 1.00 8.51 H new ATOM 0 HB2 PRO A 179 6.038 8.018 4.943 1.00 8.36 H new ATOM 0 HB3 PRO A 179 6.036 9.386 3.847 1.00 8.36 H new ATOM 0 HG2 PRO A 179 4.229 7.465 3.557 1.00 7.74 H new ATOM 0 HG3 PRO A 179 4.957 8.197 2.141 1.00 7.74 H new ATOM 0 HD2 PRO A 179 5.549 5.519 3.398 1.00 7.36 H new ATOM 0 HD3 PRO A 179 5.463 5.941 1.700 1.00 7.36 H new ATOM 378 N LYS A 180 9.207 8.772 4.830 1.00 9.42 N ATOM 379 CA LYS A 180 10.213 8.754 5.891 1.00 9.77 C ATOM 380 C LYS A 180 9.613 8.331 7.229 1.00 9.52 C ATOM 381 O LYS A 180 10.209 7.540 7.964 1.00 9.52 O ATOM 382 CB LYS A 180 10.864 10.128 6.015 1.00 10.55 C ATOM 383 CG LYS A 180 11.711 10.508 4.811 1.00 10.96 C ATOM 384 CD LYS A 180 12.140 11.965 4.865 1.00 11.55 C ATOM 385 CE LYS A 180 12.960 12.263 6.109 1.00 12.03 C ATOM 386 NZ LYS A 180 13.515 13.640 6.092 1.00 12.47 N1+ ATOM 0 H LYS A 180 9.097 9.678 4.374 1.00 9.42 H new ATOM 0 HA LYS A 180 10.971 8.018 5.622 1.00 9.77 H new ATOM 0 HB2 LYS A 180 10.086 10.879 6.154 1.00 10.55 H new ATOM 0 HB3 LYS A 180 11.488 10.147 6.909 1.00 10.55 H new ATOM 0 HG2 LYS A 180 12.594 9.870 4.771 1.00 10.96 H new ATOM 0 HG3 LYS A 180 11.146 10.328 3.897 1.00 10.96 H new ATOM 0 HD2 LYS A 180 12.725 12.205 3.977 1.00 11.55 H new ATOM 0 HD3 LYS A 180 11.258 12.605 4.848 1.00 11.55 H new ATOM 0 HE2 LYS A 180 12.337 12.134 6.994 1.00 12.03 H new ATOM 0 HE3 LYS A 180 13.776 11.544 6.186 1.00 12.03 H new ATOM 0 HZ1 LYS A 180 14.067 13.802 6.958 1.00 12.47 H new ATOM 0 HZ2 LYS A 180 14.131 13.756 5.262 1.00 12.47 H new ATOM 0 HZ3 LYS A 180 12.736 14.328 6.044 1.00 12.47 H new ATOM 400 N GLN A 181 8.423 8.844 7.530 1.00 9.38 N ATOM 401 CA GLN A 181 7.739 8.522 8.780 1.00 9.25 C ATOM 402 C GLN A 181 7.468 7.022 8.883 1.00 8.64 C ATOM 403 O GLN A 181 7.438 6.458 9.976 1.00 8.66 O ATOM 404 CB GLN A 181 6.418 9.291 8.887 1.00 9.25 C ATOM 405 CG GLN A 181 6.563 10.790 8.702 1.00 9.84 C ATOM 406 CD GLN A 181 5.287 11.538 9.034 1.00 9.79 C ATOM 407 OE1 GLN A 181 4.523 11.134 9.910 1.00 9.75 O ATOM 408 NE2 GLN A 181 5.041 12.630 8.333 1.00 9.99 N ATOM 0 H GLN A 181 7.911 9.486 6.924 1.00 9.38 H new ATOM 0 HA GLN A 181 8.392 8.819 9.601 1.00 9.25 H new ATOM 0 HB2 GLN A 181 5.724 8.908 8.139 1.00 9.25 H new ATOM 0 HB3 GLN A 181 5.974 9.096 9.863 1.00 9.25 H new ATOM 0 HG2 GLN A 181 7.371 11.155 9.336 1.00 9.84 H new ATOM 0 HG3 GLN A 181 6.847 11.001 7.671 1.00 9.84 H new ATOM 0 HE21 GLN A 181 5.698 12.934 7.615 1.00 9.99 H new ATOM 0 HE22 GLN A 181 4.194 13.170 8.510 1.00 9.99 H new ATOM 417 N LEU A 182 7.283 6.386 7.734 1.00 8.14 N ATOM 418 CA LEU A 182 7.002 4.959 7.683 1.00 7.55 C ATOM 419 C LEU A 182 8.290 4.146 7.549 1.00 7.61 C ATOM 420 O LEU A 182 8.372 3.019 8.030 1.00 7.33 O ATOM 421 CB LEU A 182 6.057 4.652 6.519 1.00 6.99 C ATOM 422 CG LEU A 182 4.557 4.755 6.830 1.00 6.82 C ATOM 423 CD1 LEU A 182 4.169 6.176 7.205 1.00 6.67 C ATOM 424 CD2 LEU A 182 3.746 4.288 5.634 1.00 6.66 C ATOM 0 H LEU A 182 7.323 6.839 6.821 1.00 8.14 H new ATOM 0 HA LEU A 182 6.521 4.673 8.619 1.00 7.55 H new ATOM 0 HB2 LEU A 182 6.287 5.334 5.700 1.00 6.99 H new ATOM 0 HB3 LEU A 182 6.266 3.644 6.162 1.00 6.99 H new ATOM 0 HG LEU A 182 4.342 4.112 7.683 1.00 6.82 H new ATOM 0 HD11 LEU A 182 3.101 6.217 7.420 1.00 6.67 H new ATOM 0 HD12 LEU A 182 4.729 6.485 8.088 1.00 6.67 H new ATOM 0 HD13 LEU A 182 4.399 6.846 6.377 1.00 6.67 H new ATOM 0 HD21 LEU A 182 2.683 4.364 5.863 1.00 6.66 H new ATOM 0 HD22 LEU A 182 3.977 4.913 4.771 1.00 6.66 H new ATOM 0 HD23 LEU A 182 3.995 3.251 5.408 1.00 6.66 H new ATOM 436 N LEU A 183 9.292 4.723 6.895 1.00 8.04 N ATOM 437 CA LEU A 183 10.574 4.051 6.705 1.00 8.24 C ATOM 438 C LEU A 183 11.252 3.793 8.045 1.00 8.55 C ATOM 439 O LEU A 183 11.830 2.728 8.270 1.00 8.54 O ATOM 440 CB LEU A 183 11.494 4.895 5.818 1.00 8.80 C ATOM 441 CG LEU A 183 11.312 4.706 4.309 1.00 8.62 C ATOM 442 CD1 LEU A 183 12.198 5.674 3.541 1.00 9.31 C ATOM 443 CD2 LEU A 183 11.619 3.271 3.910 1.00 8.25 C ATOM 0 H LEU A 183 9.242 5.656 6.486 1.00 8.04 H new ATOM 0 HA LEU A 183 10.384 3.095 6.217 1.00 8.24 H new ATOM 0 HB2 LEU A 183 11.335 5.947 6.056 1.00 8.80 H new ATOM 0 HB3 LEU A 183 12.528 4.663 6.073 1.00 8.80 H new ATOM 0 HG LEU A 183 10.272 4.917 4.058 1.00 8.62 H new ATOM 0 HD11 LEU A 183 12.056 5.526 2.470 1.00 9.31 H new ATOM 0 HD12 LEU A 183 11.932 6.698 3.804 1.00 9.31 H new ATOM 0 HD13 LEU A 183 13.242 5.493 3.797 1.00 9.31 H new ATOM 0 HD21 LEU A 183 11.484 3.156 2.835 1.00 8.25 H new ATOM 0 HD22 LEU A 183 12.649 3.032 4.174 1.00 8.25 H new ATOM 0 HD23 LEU A 183 10.944 2.595 4.435 1.00 8.25 H new ATOM 455 N GLN A 184 11.152 4.767 8.942 1.00 8.87 N ATOM 456 CA GLN A 184 11.753 4.665 10.268 1.00 9.25 C ATOM 457 C GLN A 184 10.978 3.705 11.167 1.00 8.85 C ATOM 458 O GLN A 184 11.359 3.468 12.312 1.00 9.14 O ATOM 459 CB GLN A 184 11.831 6.043 10.924 1.00 9.76 C ATOM 460 CG GLN A 184 12.935 6.917 10.357 1.00 10.33 C ATOM 461 CD GLN A 184 14.317 6.339 10.588 1.00 10.90 C ATOM 462 OE1 GLN A 184 14.563 5.666 11.589 1.00 11.17 O ATOM 463 NE2 GLN A 184 15.228 6.596 9.663 1.00 11.29 N ATOM 0 H GLN A 184 10.657 5.643 8.774 1.00 8.87 H new ATOM 0 HA GLN A 184 12.760 4.268 10.141 1.00 9.25 H new ATOM 0 HB2 GLN A 184 10.875 6.551 10.800 1.00 9.76 H new ATOM 0 HB3 GLN A 184 11.989 5.919 11.995 1.00 9.76 H new ATOM 0 HG2 GLN A 184 12.775 7.048 9.287 1.00 10.33 H new ATOM 0 HG3 GLN A 184 12.879 7.906 10.811 1.00 10.33 H new ATOM 0 HE21 GLN A 184 14.983 7.158 8.848 1.00 11.29 H new ATOM 0 HE22 GLN A 184 16.175 6.232 9.765 1.00 11.29 H new ATOM 472 N ARG A 185 9.885 3.164 10.652 1.00 8.24 N ATOM 473 CA ARG A 185 9.064 2.233 11.413 1.00 7.89 C ATOM 474 C ARG A 185 9.631 0.821 11.338 1.00 7.66 C ATOM 475 O ARG A 185 9.262 -0.045 12.130 1.00 7.54 O ATOM 476 CB ARG A 185 7.638 2.237 10.879 1.00 7.40 C ATOM 477 CG ARG A 185 6.582 2.441 11.946 1.00 7.66 C ATOM 478 CD ARG A 185 5.187 2.305 11.366 1.00 7.53 C ATOM 479 NE ARG A 185 4.149 2.561 12.359 1.00 7.91 N ATOM 480 CZ ARG A 185 3.393 1.614 12.907 1.00 8.28 C ATOM 481 NH1 ARG A 185 3.602 0.337 12.613 1.00 8.35 N1+ ATOM 482 NH2 ARG A 185 2.429 1.948 13.755 1.00 8.81 N ATOM 0 H ARG A 185 9.545 3.353 9.709 1.00 8.24 H new ATOM 0 HA ARG A 185 9.064 2.555 12.455 1.00 7.89 H new ATOM 0 HB2 ARG A 185 7.543 3.025 10.132 1.00 7.40 H new ATOM 0 HB3 ARG A 185 7.448 1.292 10.371 1.00 7.40 H new ATOM 0 HG2 ARG A 185 6.720 1.711 12.743 1.00 7.66 H new ATOM 0 HG3 ARG A 185 6.699 3.428 12.394 1.00 7.66 H new ATOM 0 HD2 ARG A 185 5.072 3.001 10.535 1.00 7.53 H new ATOM 0 HD3 ARG A 185 5.060 1.301 10.961 1.00 7.53 H new ATOM 0 HE ARG A 185 3.994 3.526 12.651 1.00 7.91 H new ATOM 0 HH11 ARG A 185 4.345 0.078 11.964 1.00 8.35 H new ATOM 0 HH12 ARG A 185 3.019 -0.386 13.036 1.00 8.35 H new ATOM 0 HH21 ARG A 185 2.269 2.929 13.985 1.00 8.81 H new ATOM 0 HH22 ARG A 185 1.847 1.224 14.177 1.00 8.81 H new ATOM 496 N ILE A 186 10.527 0.593 10.390 1.00 7.69 N ATOM 497 CA ILE A 186 11.129 -0.722 10.205 1.00 7.57 C ATOM 498 C ILE A 186 12.560 -0.743 10.744 1.00 8.20 C ATOM 499 O ILE A 186 13.460 -0.142 10.161 1.00 8.43 O ATOM 500 CB ILE A 186 11.130 -1.135 8.717 1.00 7.11 C ATOM 501 CG1 ILE A 186 9.789 -0.775 8.069 1.00 6.84 C ATOM 502 CG2 ILE A 186 11.404 -2.628 8.581 1.00 6.83 C ATOM 503 CD1 ILE A 186 9.784 -0.882 6.560 1.00 6.52 C ATOM 0 H ILE A 186 10.855 1.302 9.734 1.00 7.69 H new ATOM 0 HA ILE A 186 10.525 -1.438 10.763 1.00 7.57 H new ATOM 0 HB ILE A 186 11.923 -0.591 8.203 1.00 7.11 H new ATOM 0 HG12 ILE A 186 9.016 -1.429 8.472 1.00 6.84 H new ATOM 0 HG13 ILE A 186 9.523 0.244 8.351 1.00 6.84 H new ATOM 0 HG21 ILE A 186 11.402 -2.904 7.526 1.00 6.83 H new ATOM 0 HG22 ILE A 186 12.377 -2.860 9.015 1.00 6.83 H new ATOM 0 HG23 ILE A 186 10.630 -3.189 9.105 1.00 6.83 H new ATOM 0 HD11 ILE A 186 8.799 -0.611 6.179 1.00 6.52 H new ATOM 0 HD12 ILE A 186 10.532 -0.207 6.145 1.00 6.52 H new ATOM 0 HD13 ILE A 186 10.017 -1.906 6.267 1.00 6.52 H new ATOM 515 N PRO A 187 12.780 -1.417 11.886 1.00 8.55 N ATOM 516 CA PRO A 187 14.088 -1.522 12.519 1.00 9.18 C ATOM 517 C PRO A 187 14.818 -2.822 12.168 1.00 9.19 C ATOM 518 O PRO A 187 14.411 -3.549 11.258 1.00 8.73 O ATOM 519 CB PRO A 187 13.713 -1.515 13.999 1.00 9.56 C ATOM 520 CG PRO A 187 12.344 -2.128 14.077 1.00 9.11 C ATOM 521 CD PRO A 187 11.765 -2.125 12.680 1.00 8.45 C ATOM 0 HA PRO A 187 14.770 -0.732 12.206 1.00 9.18 H new ATOM 0 HB2 PRO A 187 14.431 -2.086 14.587 1.00 9.56 H new ATOM 0 HB3 PRO A 187 13.710 -0.500 14.397 1.00 9.56 H new ATOM 0 HG2 PRO A 187 12.401 -3.144 14.466 1.00 9.11 H new ATOM 0 HG3 PRO A 187 11.708 -1.561 14.757 1.00 9.11 H new ATOM 0 HD2 PRO A 187 11.602 -3.138 12.311 1.00 8.45 H new ATOM 0 HD3 PRO A 187 10.802 -1.615 12.646 1.00 8.45 H new ATOM 529 N ASN A 188 15.921 -3.064 12.887 1.00 9.77 N ATOM 530 CA ASN A 188 16.766 -4.265 12.739 1.00 9.94 C ATOM 531 C ASN A 188 17.543 -4.302 11.414 1.00 9.83 C ATOM 532 O ASN A 188 18.620 -4.896 11.338 1.00 9.99 O ATOM 533 CB ASN A 188 15.897 -5.527 12.862 1.00 9.66 C ATOM 534 CG ASN A 188 16.640 -6.804 12.504 1.00 9.91 C ATOM 535 OD1 ASN A 188 17.762 -7.045 12.958 1.00 10.35 O ATOM 536 ND2 ASN A 188 16.018 -7.628 11.676 1.00 9.83 N ATOM 0 H ASN A 188 16.261 -2.421 13.602 1.00 9.77 H new ATOM 0 HA ASN A 188 17.507 -4.228 13.538 1.00 9.94 H new ATOM 0 HB2 ASN A 188 15.524 -5.605 13.883 1.00 9.66 H new ATOM 0 HB3 ASN A 188 15.028 -5.426 12.212 1.00 9.66 H new ATOM 0 HD21 ASN A 188 16.466 -8.499 11.391 1.00 9.83 H new ATOM 0 HD22 ASN A 188 15.091 -7.392 11.323 1.00 9.83 H new ATOM 543 N ILE A 189 17.053 -3.602 10.403 1.00 9.66 N ATOM 544 CA ILE A 189 17.708 -3.592 9.102 1.00 9.64 C ATOM 545 C ILE A 189 17.640 -2.219 8.453 1.00 9.96 C ATOM 546 O ILE A 189 16.653 -1.493 8.609 1.00 9.97 O ATOM 547 CB ILE A 189 17.074 -4.627 8.140 1.00 9.24 C ATOM 548 CG1 ILE A 189 15.543 -4.595 8.251 1.00 9.23 C ATOM 549 CG2 ILE A 189 17.623 -6.020 8.426 1.00 9.06 C ATOM 550 CD1 ILE A 189 14.823 -5.452 7.231 1.00 9.09 C ATOM 0 H ILE A 189 16.207 -3.035 10.456 1.00 9.66 H new ATOM 0 HA ILE A 189 18.751 -3.855 9.281 1.00 9.64 H new ATOM 0 HB ILE A 189 17.339 -4.366 7.115 1.00 9.24 H new ATOM 0 HG12 ILE A 189 15.257 -4.923 9.250 1.00 9.23 H new ATOM 0 HG13 ILE A 189 15.205 -3.564 8.145 1.00 9.23 H new ATOM 0 HG21 ILE A 189 17.169 -6.737 7.743 1.00 9.06 H new ATOM 0 HG22 ILE A 189 18.704 -6.021 8.287 1.00 9.06 H new ATOM 0 HG23 ILE A 189 17.389 -6.299 9.453 1.00 9.06 H new ATOM 0 HD11 ILE A 189 13.747 -5.370 7.382 1.00 9.09 H new ATOM 0 HD12 ILE A 189 15.075 -5.112 6.227 1.00 9.09 H new ATOM 0 HD13 ILE A 189 15.128 -6.492 7.349 1.00 9.09 H new ATOM 562 N PRO A 190 18.706 -1.841 7.734 1.00 10.38 N ATOM 563 CA PRO A 190 18.772 -0.573 7.025 1.00 10.85 C ATOM 564 C PRO A 190 18.123 -0.698 5.654 1.00 10.73 C ATOM 565 O PRO A 190 18.508 -1.553 4.853 1.00 11.03 O ATOM 566 CB PRO A 190 20.274 -0.340 6.892 1.00 11.43 C ATOM 567 CG PRO A 190 20.867 -1.703 6.800 1.00 11.22 C ATOM 568 CD PRO A 190 19.950 -2.625 7.566 1.00 10.57 C ATOM 0 HA PRO A 190 18.252 0.240 7.532 1.00 10.85 H new ATOM 0 HB2 PRO A 190 20.505 0.252 6.006 1.00 11.43 H new ATOM 0 HB3 PRO A 190 20.667 0.205 7.751 1.00 11.43 H new ATOM 0 HG2 PRO A 190 20.953 -2.019 5.760 1.00 11.22 H new ATOM 0 HG3 PRO A 190 21.872 -1.718 7.222 1.00 11.22 H new ATOM 0 HD2 PRO A 190 19.767 -3.550 7.019 1.00 10.57 H new ATOM 0 HD3 PRO A 190 20.379 -2.904 8.529 1.00 10.57 H new ATOM 576 N PRO A 191 17.108 0.123 5.360 1.00 10.37 N ATOM 577 CA PRO A 191 16.427 0.059 4.071 1.00 10.30 C ATOM 578 C PRO A 191 17.365 0.396 2.917 1.00 10.68 C ATOM 579 O PRO A 191 17.537 -0.397 1.989 1.00 10.94 O ATOM 580 CB PRO A 191 15.319 1.118 4.195 1.00 9.89 C ATOM 581 CG PRO A 191 15.198 1.421 5.651 1.00 9.82 C ATOM 582 CD PRO A 191 16.549 1.157 6.246 1.00 10.13 C ATOM 0 HA PRO A 191 16.049 -0.940 3.854 1.00 10.30 H new ATOM 0 HB2 PRO A 191 15.572 2.015 3.630 1.00 9.89 H new ATOM 0 HB3 PRO A 191 14.376 0.745 3.795 1.00 9.89 H new ATOM 0 HG2 PRO A 191 14.898 2.457 5.810 1.00 9.82 H new ATOM 0 HG3 PRO A 191 14.438 0.794 6.117 1.00 9.82 H new ATOM 0 HD2 PRO A 191 17.167 2.055 6.257 1.00 10.13 H new ATOM 0 HD3 PRO A 191 16.475 0.808 7.276 1.00 10.13 H new ATOM 590 N ASN A 192 18.028 1.542 3.030 1.00 10.83 N ATOM 591 CA ASN A 192 18.975 2.025 2.021 1.00 11.33 C ATOM 592 C ASN A 192 18.375 2.098 0.610 1.00 11.24 C ATOM 593 O ASN A 192 19.110 2.193 -0.375 1.00 11.75 O ATOM 594 CB ASN A 192 20.238 1.159 2.012 1.00 11.90 C ATOM 595 CG ASN A 192 21.164 1.514 3.152 1.00 12.46 C ATOM 596 OD1 ASN A 192 21.200 2.663 3.600 1.00 12.68 O ATOM 597 ND2 ASN A 192 21.915 0.543 3.635 1.00 12.84 N ATOM 0 H ASN A 192 17.925 2.169 3.828 1.00 10.83 H new ATOM 0 HA ASN A 192 19.231 3.046 2.306 1.00 11.33 H new ATOM 0 HB2 ASN A 192 19.959 0.108 2.083 1.00 11.90 H new ATOM 0 HB3 ASN A 192 20.761 1.287 1.064 1.00 11.90 H new ATOM 0 HD21 ASN A 192 22.555 0.729 4.407 1.00 12.84 H new ATOM 0 HD22 ASN A 192 21.856 -0.394 3.236 1.00 12.84 H new ATOM 604 N ILE A 193 17.050 2.081 0.511 1.00 10.63 N ATOM 605 CA ILE A 193 16.372 2.156 -0.781 1.00 10.51 C ATOM 606 C ILE A 193 15.096 2.977 -0.662 1.00 9.90 C ATOM 607 O ILE A 193 14.721 3.393 0.436 1.00 9.52 O ATOM 608 CB ILE A 193 16.022 0.760 -1.352 1.00 10.37 C ATOM 609 CG1 ILE A 193 15.640 -0.216 -0.242 1.00 10.58 C ATOM 610 CG2 ILE A 193 17.186 0.205 -2.157 1.00 10.81 C ATOM 611 CD1 ILE A 193 14.228 -0.045 0.263 1.00 10.26 C ATOM 0 H ILE A 193 16.422 2.016 1.312 1.00 10.63 H new ATOM 0 HA ILE A 193 17.068 2.635 -1.469 1.00 10.51 H new ATOM 0 HB ILE A 193 15.161 0.879 -2.010 1.00 10.37 H new ATOM 0 HG12 ILE A 193 15.763 -1.235 -0.609 1.00 10.58 H new ATOM 0 HG13 ILE A 193 16.331 -0.092 0.592 1.00 10.58 H new ATOM 0 HG21 ILE A 193 16.921 -0.777 -2.550 1.00 10.81 H new ATOM 0 HG22 ILE A 193 17.410 0.879 -2.984 1.00 10.81 H new ATOM 0 HG23 ILE A 193 18.062 0.114 -1.515 1.00 10.81 H new ATOM 0 HD11 ILE A 193 14.032 -0.774 1.050 1.00 10.26 H new ATOM 0 HD12 ILE A 193 14.104 0.962 0.662 1.00 10.26 H new ATOM 0 HD13 ILE A 193 13.527 -0.199 -0.557 1.00 10.26 H new ATOM 623 N ASN A 194 14.432 3.212 -1.783 1.00 9.87 N ATOM 624 CA ASN A 194 13.197 3.984 -1.767 1.00 9.35 C ATOM 625 C ASN A 194 12.177 3.452 -2.776 1.00 8.86 C ATOM 626 O ASN A 194 11.756 4.168 -3.686 1.00 8.57 O ATOM 627 CB ASN A 194 13.485 5.461 -2.041 1.00 9.78 C ATOM 628 CG ASN A 194 12.400 6.366 -1.480 1.00 10.10 C ATOM 629 OD1 ASN A 194 11.725 6.015 -0.517 1.00 10.43 O ATOM 630 ND2 ASN A 194 12.229 7.535 -2.079 1.00 10.17 N ATOM 0 H ASN A 194 14.722 2.885 -2.705 1.00 9.87 H new ATOM 0 HA ASN A 194 12.764 3.881 -0.772 1.00 9.35 H new ATOM 0 HB2 ASN A 194 14.445 5.731 -1.602 1.00 9.78 H new ATOM 0 HB3 ASN A 194 13.570 5.620 -3.116 1.00 9.78 H new ATOM 0 HD21 ASN A 194 11.515 8.181 -1.742 1.00 10.17 H new ATOM 0 HD22 ASN A 194 12.811 7.789 -2.877 1.00 10.17 H new ATOM 637 N THR A 195 11.812 2.182 -2.632 1.00 8.88 N ATOM 638 CA THR A 195 10.818 1.549 -3.503 1.00 8.49 C ATOM 639 C THR A 195 10.301 0.273 -2.845 1.00 7.92 C ATOM 640 O THR A 195 11.095 -0.534 -2.364 1.00 8.08 O ATOM 641 CB THR A 195 11.396 1.180 -4.892 1.00 9.05 C ATOM 642 OG1 THR A 195 12.439 2.085 -5.265 1.00 9.80 O ATOM 643 CG2 THR A 195 10.300 1.212 -5.948 1.00 8.98 C ATOM 0 H THR A 195 12.191 1.564 -1.915 1.00 8.88 H new ATOM 0 HA THR A 195 10.016 2.272 -3.648 1.00 8.49 H new ATOM 0 HB THR A 195 11.807 0.173 -4.827 1.00 9.05 H new ATOM 0 HG1 THR A 195 12.791 1.834 -6.144 1.00 9.80 H new ATOM 0 HG21 THR A 195 10.722 0.951 -6.918 1.00 8.98 H new ATOM 0 HG22 THR A 195 9.521 0.496 -5.686 1.00 8.98 H new ATOM 0 HG23 THR A 195 9.871 2.213 -5.997 1.00 8.98 H new ATOM 651 N TRP A 196 8.983 0.068 -2.874 1.00 7.29 N ATOM 652 CA TRP A 196 8.368 -1.115 -2.262 1.00 6.73 C ATOM 653 C TRP A 196 8.961 -2.408 -2.809 1.00 7.00 C ATOM 654 O TRP A 196 9.088 -3.400 -2.087 1.00 6.84 O ATOM 655 CB TRP A 196 6.856 -1.108 -2.485 1.00 6.14 C ATOM 656 CG TRP A 196 6.077 -0.697 -1.273 1.00 5.65 C ATOM 657 CD1 TRP A 196 5.257 0.386 -1.156 1.00 5.54 C ATOM 658 CD2 TRP A 196 6.043 -1.367 -0.004 1.00 5.33 C ATOM 659 NE1 TRP A 196 4.719 0.436 0.108 1.00 5.20 N ATOM 660 CE2 TRP A 196 5.183 -0.630 0.833 1.00 5.06 C ATOM 661 CE3 TRP A 196 6.653 -2.518 0.505 1.00 5.33 C ATOM 662 CZ2 TRP A 196 4.926 -1.002 2.150 1.00 4.84 C ATOM 663 CZ3 TRP A 196 6.395 -2.889 1.810 1.00 5.05 C ATOM 664 CH2 TRP A 196 5.534 -2.133 2.618 1.00 4.82 C ATOM 0 H TRP A 196 8.319 0.705 -3.314 1.00 7.29 H new ATOM 0 HA TRP A 196 8.578 -1.072 -1.193 1.00 6.73 H new ATOM 0 HB2 TRP A 196 6.621 -0.431 -3.306 1.00 6.14 H new ATOM 0 HB3 TRP A 196 6.537 -2.104 -2.792 1.00 6.14 H new ATOM 0 HD1 TRP A 196 5.059 1.100 -1.942 1.00 5.54 H new ATOM 0 HE1 TRP A 196 4.078 1.151 0.451 1.00 5.20 H new ATOM 0 HE3 TRP A 196 7.315 -3.107 -0.112 1.00 5.33 H new ATOM 0 HZ2 TRP A 196 4.270 -0.418 2.779 1.00 4.84 H new ATOM 0 HZ3 TRP A 196 6.863 -3.774 2.214 1.00 5.05 H new ATOM 0 HH2 TRP A 196 5.347 -2.452 3.633 1.00 4.82 H new ATOM 675 N GLN A 197 9.326 -2.387 -4.084 1.00 7.47 N ATOM 676 CA GLN A 197 9.911 -3.548 -4.743 1.00 7.85 C ATOM 677 C GLN A 197 11.201 -3.983 -4.048 1.00 8.27 C ATOM 678 O GLN A 197 11.461 -5.172 -3.880 1.00 8.37 O ATOM 679 CB GLN A 197 10.194 -3.213 -6.212 1.00 8.38 C ATOM 680 CG GLN A 197 10.802 -4.361 -6.999 1.00 8.33 C ATOM 681 CD GLN A 197 11.558 -3.886 -8.225 1.00 8.43 C ATOM 682 OE1 GLN A 197 12.102 -2.780 -8.243 1.00 8.59 O ATOM 683 NE2 GLN A 197 11.600 -4.714 -9.254 1.00 8.60 N ATOM 0 H GLN A 197 9.226 -1.571 -4.687 1.00 7.47 H new ATOM 0 HA GLN A 197 9.202 -4.374 -4.685 1.00 7.85 H new ATOM 0 HB2 GLN A 197 9.263 -2.910 -6.691 1.00 8.38 H new ATOM 0 HB3 GLN A 197 10.868 -2.358 -6.256 1.00 8.38 H new ATOM 0 HG2 GLN A 197 11.478 -4.922 -6.354 1.00 8.33 H new ATOM 0 HG3 GLN A 197 10.012 -5.046 -7.306 1.00 8.33 H new ATOM 0 HE21 GLN A 197 11.136 -5.621 -9.198 1.00 8.60 H new ATOM 0 HE22 GLN A 197 12.096 -4.446 -10.104 1.00 8.60 H new ATOM 692 N GLN A 198 11.989 -3.008 -3.624 1.00 8.57 N ATOM 693 CA GLN A 198 13.252 -3.287 -2.961 1.00 9.03 C ATOM 694 C GLN A 198 13.045 -3.504 -1.465 1.00 8.61 C ATOM 695 O GLN A 198 13.786 -4.251 -0.831 1.00 8.82 O ATOM 696 CB GLN A 198 14.239 -2.143 -3.204 1.00 9.66 C ATOM 697 CG GLN A 198 14.434 -1.817 -4.677 1.00 10.19 C ATOM 698 CD GLN A 198 15.021 -2.977 -5.462 1.00 10.85 C ATOM 699 OE1 GLN A 198 15.822 -3.753 -4.942 1.00 11.11 O ATOM 700 NE2 GLN A 198 14.621 -3.109 -6.716 1.00 11.29 N ATOM 0 H GLN A 198 11.776 -2.016 -3.727 1.00 8.57 H new ATOM 0 HA GLN A 198 13.666 -4.204 -3.381 1.00 9.03 H new ATOM 0 HB2 GLN A 198 13.886 -1.252 -2.686 1.00 9.66 H new ATOM 0 HB3 GLN A 198 15.202 -2.405 -2.767 1.00 9.66 H new ATOM 0 HG2 GLN A 198 13.475 -1.537 -5.113 1.00 10.19 H new ATOM 0 HG3 GLN A 198 15.091 -0.952 -4.769 1.00 10.19 H new ATOM 0 HE21 GLN A 198 13.955 -2.445 -7.112 1.00 11.29 H new ATOM 0 HE22 GLN A 198 14.978 -3.875 -7.287 1.00 11.29 H new ATOM 709 N VAL A 199 12.027 -2.852 -0.909 1.00 8.07 N ATOM 710 CA VAL A 199 11.714 -2.980 0.511 1.00 7.70 C ATOM 711 C VAL A 199 11.371 -4.430 0.858 1.00 7.32 C ATOM 712 O VAL A 199 11.810 -4.962 1.877 1.00 7.31 O ATOM 713 CB VAL A 199 10.533 -2.064 0.927 1.00 7.25 C ATOM 714 CG1 VAL A 199 10.238 -2.213 2.414 1.00 7.19 C ATOM 715 CG2 VAL A 199 10.819 -0.603 0.587 1.00 7.41 C ATOM 0 H VAL A 199 11.404 -2.228 -1.422 1.00 8.07 H new ATOM 0 HA VAL A 199 12.602 -2.669 1.061 1.00 7.70 H new ATOM 0 HB VAL A 199 9.655 -2.376 0.362 1.00 7.25 H new ATOM 0 HG11 VAL A 199 9.407 -1.563 2.687 1.00 7.19 H new ATOM 0 HG12 VAL A 199 9.975 -3.248 2.631 1.00 7.19 H new ATOM 0 HG13 VAL A 199 11.121 -1.935 2.990 1.00 7.19 H new ATOM 0 HG21 VAL A 199 9.973 0.014 0.891 1.00 7.41 H new ATOM 0 HG22 VAL A 199 11.715 -0.275 1.115 1.00 7.41 H new ATOM 0 HG23 VAL A 199 10.974 -0.503 -0.487 1.00 7.41 H new ATOM 725 N THR A 200 10.602 -5.073 -0.015 1.00 7.10 N ATOM 726 CA THR A 200 10.192 -6.455 0.198 1.00 6.83 C ATOM 727 C THR A 200 11.363 -7.424 0.041 1.00 7.39 C ATOM 728 O THR A 200 11.397 -8.477 0.680 1.00 7.30 O ATOM 729 CB THR A 200 9.065 -6.855 -0.775 1.00 6.60 C ATOM 730 OG1 THR A 200 9.188 -6.116 -2.000 1.00 6.76 O ATOM 731 CG2 THR A 200 7.699 -6.599 -0.163 1.00 6.11 C ATOM 0 H THR A 200 10.250 -4.658 -0.878 1.00 7.10 H new ATOM 0 HA THR A 200 9.824 -6.519 1.222 1.00 6.83 H new ATOM 0 HB THR A 200 9.159 -7.921 -0.980 1.00 6.60 H new ATOM 0 HG1 THR A 200 10.129 -6.090 -2.273 1.00 6.76 H new ATOM 0 HG21 THR A 200 6.923 -6.890 -0.871 1.00 6.11 H new ATOM 0 HG22 THR A 200 7.594 -7.184 0.751 1.00 6.11 H new ATOM 0 HG23 THR A 200 7.598 -5.539 0.071 1.00 6.11 H new ATOM 739 N ALA A 201 12.327 -7.052 -0.792 1.00 8.02 N ATOM 740 CA ALA A 201 13.495 -7.890 -1.037 1.00 8.63 C ATOM 741 C ALA A 201 14.322 -8.065 0.234 1.00 8.64 C ATOM 742 O ALA A 201 14.967 -9.094 0.429 1.00 8.93 O ATOM 743 CB ALA A 201 14.348 -7.301 -2.148 1.00 9.32 C ATOM 0 H ALA A 201 12.323 -6.174 -1.310 1.00 8.02 H new ATOM 0 HA ALA A 201 13.144 -8.874 -1.350 1.00 8.63 H new ATOM 0 HB1 ALA A 201 15.215 -7.939 -2.318 1.00 9.32 H new ATOM 0 HB2 ALA A 201 13.760 -7.237 -3.063 1.00 9.32 H new ATOM 0 HB3 ALA A 201 14.682 -6.304 -1.861 1.00 9.32 H new ATOM 749 N LEU A 202 14.284 -7.062 1.101 1.00 8.38 N ATOM 750 CA LEU A 202 15.027 -7.103 2.355 1.00 8.45 C ATOM 751 C LEU A 202 14.453 -8.174 3.278 1.00 8.04 C ATOM 752 O LEU A 202 15.180 -8.813 4.038 1.00 8.27 O ATOM 753 CB LEU A 202 14.977 -5.739 3.048 1.00 8.32 C ATOM 754 CG LEU A 202 15.370 -4.544 2.175 1.00 8.50 C ATOM 755 CD1 LEU A 202 15.202 -3.244 2.946 1.00 8.35 C ATOM 756 CD2 LEU A 202 16.800 -4.692 1.675 1.00 9.03 C ATOM 0 H LEU A 202 13.745 -6.208 0.959 1.00 8.38 H new ATOM 0 HA LEU A 202 16.065 -7.349 2.132 1.00 8.45 H new ATOM 0 HB2 LEU A 202 13.966 -5.577 3.422 1.00 8.32 H new ATOM 0 HB3 LEU A 202 15.637 -5.767 3.915 1.00 8.32 H new ATOM 0 HG LEU A 202 14.708 -4.518 1.309 1.00 8.50 H new ATOM 0 HD11 LEU A 202 15.486 -2.405 2.311 1.00 8.35 H new ATOM 0 HD12 LEU A 202 14.161 -3.133 3.250 1.00 8.35 H new ATOM 0 HD13 LEU A 202 15.839 -3.261 3.831 1.00 8.35 H new ATOM 0 HD21 LEU A 202 17.060 -3.833 1.057 1.00 9.03 H new ATOM 0 HD22 LEU A 202 17.479 -4.746 2.526 1.00 9.03 H new ATOM 0 HD23 LEU A 202 16.886 -5.604 1.084 1.00 9.03 H new ATOM 768 N ALA A 203 13.145 -8.372 3.192 1.00 7.51 N ATOM 769 CA ALA A 203 12.463 -9.359 4.016 1.00 7.19 C ATOM 770 C ALA A 203 12.736 -10.772 3.513 1.00 7.64 C ATOM 771 O ALA A 203 12.769 -11.726 4.293 1.00 7.71 O ATOM 772 CB ALA A 203 10.967 -9.080 4.035 1.00 6.60 C ATOM 0 H ALA A 203 12.533 -7.860 2.557 1.00 7.51 H new ATOM 0 HA ALA A 203 12.849 -9.284 5.033 1.00 7.19 H new ATOM 0 HB1 ALA A 203 10.466 -9.824 4.654 1.00 6.60 H new ATOM 0 HB2 ALA A 203 10.787 -8.086 4.445 1.00 6.60 H new ATOM 0 HB3 ALA A 203 10.575 -9.130 3.019 1.00 6.60 H new ATOM 778 N GLN A 204 12.970 -10.894 2.211 1.00 8.03 N ATOM 779 CA GLN A 204 13.232 -12.190 1.587 1.00 8.56 C ATOM 780 C GLN A 204 14.556 -12.783 2.060 1.00 9.11 C ATOM 781 O GLN A 204 14.819 -13.969 1.866 1.00 9.51 O ATOM 782 CB GLN A 204 13.240 -12.056 0.064 1.00 8.89 C ATOM 783 CG GLN A 204 11.945 -11.493 -0.502 1.00 8.56 C ATOM 784 CD GLN A 204 11.887 -11.559 -2.015 1.00 8.93 C ATOM 785 OE1 GLN A 204 12.913 -11.538 -2.693 1.00 9.22 O ATOM 786 NE2 GLN A 204 10.682 -11.640 -2.558 1.00 9.16 N ATOM 0 H GLN A 204 12.984 -10.107 1.562 1.00 8.03 H new ATOM 0 HA GLN A 204 12.431 -12.866 1.886 1.00 8.56 H new ATOM 0 HB2 GLN A 204 14.067 -11.411 -0.232 1.00 8.89 H new ATOM 0 HB3 GLN A 204 13.425 -13.035 -0.378 1.00 8.89 H new ATOM 0 HG2 GLN A 204 11.102 -12.045 -0.086 1.00 8.56 H new ATOM 0 HG3 GLN A 204 11.835 -10.456 -0.184 1.00 8.56 H new ATOM 0 HE21 GLN A 204 9.854 -11.655 -1.962 1.00 9.16 H new ATOM 0 HE22 GLN A 204 10.582 -11.688 -3.572 1.00 9.16 H new ATOM 795 N GLN A 205 15.378 -11.960 2.697 1.00 9.17 N ATOM 796 CA GLN A 205 16.671 -12.409 3.198 1.00 9.72 C ATOM 797 C GLN A 205 16.528 -13.110 4.548 1.00 9.52 C ATOM 798 O GLN A 205 17.518 -13.323 5.250 1.00 9.93 O ATOM 799 CB GLN A 205 17.636 -11.226 3.317 1.00 10.00 C ATOM 800 CG GLN A 205 17.890 -10.516 1.997 1.00 10.36 C ATOM 801 CD GLN A 205 18.350 -11.465 0.908 1.00 10.95 C ATOM 802 OE1 GLN A 205 17.541 -12.043 0.188 1.00 11.13 O ATOM 803 NE2 GLN A 205 19.658 -11.630 0.779 1.00 11.44 N ATOM 0 H GLN A 205 15.173 -10.978 2.879 1.00 9.17 H new ATOM 0 HA GLN A 205 17.076 -13.127 2.485 1.00 9.72 H new ATOM 0 HB2 GLN A 205 17.234 -10.510 4.034 1.00 10.00 H new ATOM 0 HB3 GLN A 205 18.585 -11.581 3.718 1.00 10.00 H new ATOM 0 HG2 GLN A 205 16.977 -10.015 1.676 1.00 10.36 H new ATOM 0 HG3 GLN A 205 18.644 -9.743 2.143 1.00 10.36 H new ATOM 0 HE21 GLN A 205 20.298 -11.132 1.397 1.00 11.44 H new ATOM 0 HE22 GLN A 205 20.025 -12.255 0.062 1.00 11.44 H new ATOM 812 N LYS A 206 15.287 -13.454 4.905 1.00 8.93 N ATOM 813 CA LYS A 206 14.986 -14.140 6.163 1.00 8.75 C ATOM 814 C LYS A 206 15.433 -13.306 7.361 1.00 8.72 C ATOM 815 O LYS A 206 15.920 -13.837 8.357 1.00 8.89 O ATOM 816 CB LYS A 206 15.653 -15.521 6.196 1.00 9.26 C ATOM 817 CG LYS A 206 15.064 -16.514 5.206 1.00 9.36 C ATOM 818 CD LYS A 206 15.934 -17.753 5.080 1.00 9.64 C ATOM 819 CE LYS A 206 15.295 -18.809 4.192 1.00 9.95 C ATOM 820 NZ LYS A 206 16.245 -19.906 3.872 1.00 10.29 N1+ ATOM 0 H LYS A 206 14.465 -13.265 4.331 1.00 8.93 H new ATOM 0 HA LYS A 206 13.906 -14.273 6.224 1.00 8.75 H new ATOM 0 HB2 LYS A 206 16.717 -15.405 5.989 1.00 9.26 H new ATOM 0 HB3 LYS A 206 15.567 -15.931 7.202 1.00 9.26 H new ATOM 0 HG2 LYS A 206 14.063 -16.801 5.528 1.00 9.36 H new ATOM 0 HG3 LYS A 206 14.960 -16.039 4.230 1.00 9.36 H new ATOM 0 HD2 LYS A 206 16.905 -17.474 4.671 1.00 9.64 H new ATOM 0 HD3 LYS A 206 16.114 -18.172 6.070 1.00 9.64 H new ATOM 0 HE2 LYS A 206 14.418 -19.221 4.690 1.00 9.95 H new ATOM 0 HE3 LYS A 206 14.949 -18.346 3.268 1.00 9.95 H new ATOM 0 HZ1 LYS A 206 15.774 -20.607 3.265 1.00 10.29 H new ATOM 0 HZ2 LYS A 206 17.071 -19.516 3.374 1.00 10.29 H new ATOM 0 HZ3 LYS A 206 16.556 -20.364 4.753 1.00 10.29 H new ATOM 834 N LEU A 207 15.256 -11.996 7.260 1.00 8.58 N ATOM 835 CA LEU A 207 15.644 -11.089 8.333 1.00 8.66 C ATOM 836 C LEU A 207 14.417 -10.455 8.978 1.00 8.06 C ATOM 837 O LEU A 207 14.515 -9.430 9.648 1.00 8.10 O ATOM 838 CB LEU A 207 16.574 -10.001 7.794 1.00 9.02 C ATOM 839 CG LEU A 207 17.967 -10.477 7.381 1.00 9.66 C ATOM 840 CD1 LEU A 207 18.689 -9.394 6.598 1.00 9.96 C ATOM 841 CD2 LEU A 207 18.776 -10.877 8.604 1.00 10.21 C ATOM 0 H LEU A 207 14.846 -11.537 6.446 1.00 8.58 H new ATOM 0 HA LEU A 207 16.172 -11.665 9.092 1.00 8.66 H new ATOM 0 HB2 LEU A 207 16.098 -9.533 6.932 1.00 9.02 H new ATOM 0 HB3 LEU A 207 16.683 -9.229 8.556 1.00 9.02 H new ATOM 0 HG LEU A 207 17.856 -11.351 6.739 1.00 9.66 H new ATOM 0 HD11 LEU A 207 19.679 -9.750 6.312 1.00 9.96 H new ATOM 0 HD12 LEU A 207 18.118 -9.151 5.702 1.00 9.96 H new ATOM 0 HD13 LEU A 207 18.789 -8.503 7.217 1.00 9.96 H new ATOM 0 HD21 LEU A 207 19.765 -11.213 8.292 1.00 10.21 H new ATOM 0 HD22 LEU A 207 18.877 -10.020 9.269 1.00 10.21 H new ATOM 0 HD23 LEU A 207 18.267 -11.685 9.129 1.00 10.21 H new ATOM 853 N LEU A 208 13.265 -11.079 8.779 1.00 7.59 N ATOM 854 CA LEU A 208 12.024 -10.569 9.339 1.00 7.05 C ATOM 855 C LEU A 208 11.376 -11.599 10.253 1.00 6.95 C ATOM 856 O LEU A 208 10.874 -12.628 9.800 1.00 6.96 O ATOM 857 CB LEU A 208 11.052 -10.176 8.222 1.00 6.63 C ATOM 858 CG LEU A 208 10.352 -8.829 8.417 1.00 6.34 C ATOM 859 CD1 LEU A 208 11.342 -7.685 8.237 1.00 6.60 C ATOM 860 CD2 LEU A 208 9.184 -8.687 7.452 1.00 5.96 C ATOM 0 H LEU A 208 13.165 -11.936 8.236 1.00 7.59 H new ATOM 0 HA LEU A 208 12.261 -9.684 9.929 1.00 7.05 H new ATOM 0 HB2 LEU A 208 11.597 -10.152 7.279 1.00 6.63 H new ATOM 0 HB3 LEU A 208 10.293 -10.953 8.132 1.00 6.63 H new ATOM 0 HG LEU A 208 9.960 -8.788 9.433 1.00 6.34 H new ATOM 0 HD11 LEU A 208 10.829 -6.734 8.379 1.00 6.60 H new ATOM 0 HD12 LEU A 208 12.143 -7.778 8.971 1.00 6.60 H new ATOM 0 HD13 LEU A 208 11.764 -7.723 7.233 1.00 6.60 H new ATOM 0 HD21 LEU A 208 8.700 -7.723 7.607 1.00 5.96 H new ATOM 0 HD22 LEU A 208 9.549 -8.749 6.427 1.00 5.96 H new ATOM 0 HD23 LEU A 208 8.465 -9.487 7.630 1.00 5.96 H new ATOM 872 N THR A 209 11.421 -11.322 11.542 1.00 6.97 N ATOM 873 CA THR A 209 10.823 -12.191 12.533 1.00 7.00 C ATOM 874 C THR A 209 9.327 -11.869 12.649 1.00 6.57 C ATOM 875 O THR A 209 8.914 -10.765 12.290 1.00 6.24 O ATOM 876 CB THR A 209 11.525 -11.998 13.892 1.00 7.40 C ATOM 877 OG1 THR A 209 12.466 -10.914 13.803 1.00 7.39 O ATOM 878 CG2 THR A 209 12.256 -13.265 14.310 1.00 7.89 C ATOM 0 H THR A 209 11.871 -10.492 11.929 1.00 6.97 H new ATOM 0 HA THR A 209 10.941 -13.231 12.230 1.00 7.00 H new ATOM 0 HB THR A 209 10.765 -11.770 14.640 1.00 7.40 H new ATOM 0 HG1 THR A 209 11.981 -10.065 13.733 1.00 7.39 H new ATOM 0 HG21 THR A 209 12.743 -13.104 15.272 1.00 7.89 H new ATOM 0 HG22 THR A 209 11.543 -14.085 14.398 1.00 7.89 H new ATOM 0 HG23 THR A 209 13.007 -13.516 13.561 1.00 7.89 H new ATOM 886 N PRO A 210 8.492 -12.819 13.129 1.00 6.66 N ATOM 887 CA PRO A 210 7.039 -12.617 13.271 1.00 6.45 C ATOM 888 C PRO A 210 6.672 -11.267 13.892 1.00 6.38 C ATOM 889 O PRO A 210 5.717 -10.617 13.464 1.00 6.16 O ATOM 890 CB PRO A 210 6.628 -13.755 14.199 1.00 6.85 C ATOM 891 CG PRO A 210 7.597 -14.848 13.918 1.00 7.16 C ATOM 892 CD PRO A 210 8.894 -14.178 13.547 1.00 7.08 C ATOM 0 HA PRO A 210 6.537 -12.616 12.304 1.00 6.45 H new ATOM 0 HB2 PRO A 210 6.671 -13.448 15.244 1.00 6.85 H new ATOM 0 HB3 PRO A 210 5.604 -14.074 14.003 1.00 6.85 H new ATOM 0 HG2 PRO A 210 7.726 -15.488 14.791 1.00 7.16 H new ATOM 0 HG3 PRO A 210 7.242 -15.484 13.107 1.00 7.16 H new ATOM 0 HD2 PRO A 210 9.583 -14.148 14.391 1.00 7.08 H new ATOM 0 HD3 PRO A 210 9.401 -14.709 12.741 1.00 7.08 H new ATOM 900 N GLN A 211 7.450 -10.846 14.883 1.00 6.66 N ATOM 901 CA GLN A 211 7.211 -9.579 15.569 1.00 6.77 C ATOM 902 C GLN A 211 7.322 -8.387 14.614 1.00 6.45 C ATOM 903 O GLN A 211 6.541 -7.439 14.695 1.00 6.38 O ATOM 904 CB GLN A 211 8.203 -9.411 16.722 1.00 7.30 C ATOM 905 CG GLN A 211 9.647 -9.676 16.321 1.00 7.72 C ATOM 906 CD GLN A 211 10.640 -8.860 17.122 1.00 8.30 C ATOM 907 OE1 GLN A 211 10.424 -8.567 18.297 1.00 8.70 O ATOM 908 NE2 GLN A 211 11.727 -8.466 16.482 1.00 8.61 N ATOM 0 H GLN A 211 8.256 -11.366 15.231 1.00 6.66 H new ATOM 0 HA GLN A 211 6.194 -9.603 15.960 1.00 6.77 H new ATOM 0 HB2 GLN A 211 8.123 -8.398 17.115 1.00 7.30 H new ATOM 0 HB3 GLN A 211 7.928 -10.089 17.530 1.00 7.30 H new ATOM 0 HG2 GLN A 211 9.866 -10.736 16.451 1.00 7.72 H new ATOM 0 HG3 GLN A 211 9.771 -9.453 15.261 1.00 7.72 H new ATOM 0 HE21 GLN A 211 11.869 -8.730 15.507 1.00 8.61 H new ATOM 0 HE22 GLN A 211 12.424 -7.898 16.963 1.00 8.61 H new ATOM 917 N ASP A 212 8.281 -8.447 13.697 1.00 6.37 N ATOM 918 CA ASP A 212 8.501 -7.366 12.750 1.00 6.18 C ATOM 919 C ASP A 212 7.570 -7.498 11.553 1.00 5.63 C ATOM 920 O ASP A 212 7.268 -6.515 10.875 1.00 5.44 O ATOM 921 CB ASP A 212 9.961 -7.355 12.287 1.00 6.44 C ATOM 922 CG ASP A 212 10.936 -7.459 13.444 1.00 7.03 C ATOM 923 OD1 ASP A 212 11.239 -6.423 14.075 1.00 7.34 O1- ATOM 924 OD2 ASP A 212 11.396 -8.588 13.738 1.00 7.38 O ATOM 0 H ASP A 212 8.919 -9.236 13.591 1.00 6.37 H new ATOM 0 HA ASP A 212 8.283 -6.423 13.251 1.00 6.18 H new ATOM 0 HB2 ASP A 212 10.127 -8.184 11.600 1.00 6.44 H new ATOM 0 HB3 ASP A 212 10.156 -6.437 11.732 1.00 6.44 H new ATOM 929 N MET A 213 7.110 -8.717 11.303 1.00 5.47 N ATOM 930 CA MET A 213 6.206 -8.986 10.187 1.00 5.06 C ATOM 931 C MET A 213 4.912 -8.200 10.345 1.00 4.94 C ATOM 932 O MET A 213 4.461 -7.523 9.418 1.00 4.64 O ATOM 933 CB MET A 213 5.890 -10.481 10.091 1.00 5.15 C ATOM 934 CG MET A 213 7.056 -11.332 9.624 1.00 5.33 C ATOM 935 SD MET A 213 6.555 -13.016 9.215 1.00 5.56 S ATOM 936 CE MET A 213 5.687 -12.748 7.668 1.00 5.57 C ATOM 0 H MET A 213 7.348 -9.539 11.858 1.00 5.47 H new ATOM 0 HA MET A 213 6.705 -8.672 9.270 1.00 5.06 H new ATOM 0 HB2 MET A 213 5.564 -10.836 11.069 1.00 5.15 H new ATOM 0 HB3 MET A 213 5.054 -10.621 9.406 1.00 5.15 H new ATOM 0 HG2 MET A 213 7.513 -10.869 8.750 1.00 5.33 H new ATOM 0 HG3 MET A 213 7.817 -11.361 10.404 1.00 5.33 H new ATOM 0 HE1 MET A 213 5.598 -13.693 7.133 1.00 5.57 H new ATOM 0 HE2 MET A 213 4.693 -12.351 7.873 1.00 5.57 H new ATOM 0 HE3 MET A 213 6.243 -12.036 7.057 1.00 5.57 H new ATOM 946 N GLU A 214 4.327 -8.280 11.534 1.00 5.29 N ATOM 947 CA GLU A 214 3.081 -7.582 11.819 1.00 5.44 C ATOM 948 C GLU A 214 3.298 -6.072 11.808 1.00 5.41 C ATOM 949 O GLU A 214 2.393 -5.309 11.472 1.00 5.42 O ATOM 950 CB GLU A 214 2.518 -8.019 13.172 1.00 6.00 C ATOM 951 CG GLU A 214 2.492 -9.528 13.376 1.00 6.18 C ATOM 952 CD GLU A 214 1.903 -10.280 12.196 1.00 6.23 C ATOM 953 OE1 GLU A 214 0.827 -9.875 11.699 1.00 6.43 O ATOM 954 OE2 GLU A 214 2.509 -11.287 11.770 1.00 6.40 O1- ATOM 0 H GLU A 214 4.696 -8.821 12.316 1.00 5.29 H new ATOM 0 HA GLU A 214 2.362 -7.839 11.041 1.00 5.44 H new ATOM 0 HB2 GLU A 214 3.113 -7.566 13.965 1.00 6.00 H new ATOM 0 HB3 GLU A 214 1.504 -7.632 13.274 1.00 6.00 H new ATOM 0 HG2 GLU A 214 3.508 -9.882 13.554 1.00 6.18 H new ATOM 0 HG3 GLU A 214 1.913 -9.757 14.271 1.00 6.18 H new ATOM 961 N ALA A 215 4.506 -5.651 12.170 1.00 5.51 N ATOM 962 CA ALA A 215 4.852 -4.236 12.197 1.00 5.66 C ATOM 963 C ALA A 215 4.881 -3.662 10.785 1.00 5.27 C ATOM 964 O ALA A 215 4.385 -2.559 10.539 1.00 5.33 O ATOM 965 CB ALA A 215 6.193 -4.029 12.887 1.00 6.08 C ATOM 0 H ALA A 215 5.264 -6.274 12.450 1.00 5.51 H new ATOM 0 HA ALA A 215 4.087 -3.706 12.765 1.00 5.66 H new ATOM 0 HB1 ALA A 215 6.436 -2.967 12.898 1.00 6.08 H new ATOM 0 HB2 ALA A 215 6.136 -4.399 13.911 1.00 6.08 H new ATOM 0 HB3 ALA A 215 6.968 -4.573 12.347 1.00 6.08 H new ATOM 971 N ALA A 216 5.448 -4.427 9.855 1.00 4.95 N ATOM 972 CA ALA A 216 5.540 -4.005 8.463 1.00 4.66 C ATOM 973 C ALA A 216 4.165 -4.036 7.821 1.00 4.31 C ATOM 974 O ALA A 216 3.870 -3.265 6.907 1.00 4.17 O ATOM 975 CB ALA A 216 6.509 -4.895 7.697 1.00 4.61 C ATOM 0 H ALA A 216 5.851 -5.345 10.043 1.00 4.95 H new ATOM 0 HA ALA A 216 5.920 -2.984 8.430 1.00 4.66 H new ATOM 0 HB1 ALA A 216 6.564 -4.564 6.660 1.00 4.61 H new ATOM 0 HB2 ALA A 216 7.498 -4.832 8.151 1.00 4.61 H new ATOM 0 HB3 ALA A 216 6.160 -5.927 7.731 1.00 4.61 H new ATOM 981 N LYS A 217 3.322 -4.928 8.323 1.00 4.31 N ATOM 982 CA LYS A 217 1.959 -5.074 7.833 1.00 4.20 C ATOM 983 C LYS A 217 1.175 -3.786 8.079 1.00 4.42 C ATOM 984 O LYS A 217 0.300 -3.408 7.297 1.00 4.34 O ATOM 985 CB LYS A 217 1.285 -6.257 8.530 1.00 4.47 C ATOM 986 CG LYS A 217 -0.107 -6.577 8.011 1.00 4.63 C ATOM 987 CD LYS A 217 -0.702 -7.770 8.740 1.00 5.07 C ATOM 988 CE LYS A 217 -0.021 -9.068 8.342 1.00 5.46 C ATOM 989 NZ LYS A 217 -0.356 -10.172 9.276 1.00 5.88 N1+ ATOM 0 H LYS A 217 3.563 -5.569 9.079 1.00 4.31 H new ATOM 0 HA LYS A 217 1.979 -5.265 6.760 1.00 4.20 H new ATOM 0 HB2 LYS A 217 1.915 -7.139 8.414 1.00 4.47 H new ATOM 0 HB3 LYS A 217 1.223 -6.047 9.598 1.00 4.47 H new ATOM 0 HG2 LYS A 217 -0.754 -5.709 8.138 1.00 4.63 H new ATOM 0 HG3 LYS A 217 -0.061 -6.786 6.942 1.00 4.63 H new ATOM 0 HD2 LYS A 217 -0.606 -7.624 9.816 1.00 5.07 H new ATOM 0 HD3 LYS A 217 -1.768 -7.836 8.521 1.00 5.07 H new ATOM 0 HE2 LYS A 217 -0.323 -9.342 7.331 1.00 5.46 H new ATOM 0 HE3 LYS A 217 1.059 -8.922 8.324 1.00 5.46 H new ATOM 0 HZ1 LYS A 217 -0.016 -11.073 8.884 1.00 5.88 H new ATOM 0 HZ2 LYS A 217 0.100 -10.000 10.195 1.00 5.88 H new ATOM 0 HZ3 LYS A 217 -1.387 -10.217 9.404 1.00 5.88 H new ATOM 1003 N GLU A 218 1.503 -3.123 9.177 1.00 0.00 N ATOM 1004 CA GLU A 218 0.861 -1.858 9.523 1.00 0.00 C ATOM 1005 C GLU A 218 1.297 -0.757 8.588 1.00 0.00 C ATOM 1006 O GLU A 218 0.497 0.073 8.177 1.00 0.00 O ATOM 1007 CB GLU A 218 1.195 -1.486 10.996 1.00 0.00 C ATOM 1008 CG GLU A 218 0.564 -2.407 12.089 1.00 0.00 C ATOM 1009 CD GLU A 218 0.864 -2.108 13.546 1.00 0.00 C ATOM 1010 OE1 GLU A 218 0.619 -0.988 14.033 1.00 0.00 O ATOM 1011 OE2 GLU A 218 1.348 -3.042 14.218 1.00 0.00 O1- ATOM 0 H GLU A 218 2.208 -3.436 9.844 1.00 0.00 H new ATOM 0 HA GLU A 218 -0.218 -1.975 9.420 1.00 0.00 H new ATOM 0 HB2 GLU A 218 2.278 -1.499 11.118 1.00 0.00 H new ATOM 0 HB3 GLU A 218 0.866 -0.462 11.176 1.00 0.00 H new ATOM 0 HG2 GLU A 218 -0.518 -2.381 11.961 1.00 0.00 H new ATOM 0 HG3 GLU A 218 0.884 -3.429 11.887 1.00 0.00 H new ATOM 1018 N VAL A 219 2.584 -0.779 8.241 1.00 4.99 N ATOM 1019 CA VAL A 219 3.173 0.218 7.350 1.00 5.07 C ATOM 1020 C VAL A 219 2.401 0.310 6.036 1.00 4.71 C ATOM 1021 O VAL A 219 2.062 1.401 5.579 1.00 4.89 O ATOM 1022 CB VAL A 219 4.651 -0.117 7.049 1.00 5.20 C ATOM 1023 CG1 VAL A 219 5.255 0.890 6.083 1.00 5.47 C ATOM 1024 CG2 VAL A 219 5.458 -0.170 8.337 1.00 5.63 C ATOM 0 H VAL A 219 3.244 -1.485 8.568 1.00 4.99 H new ATOM 0 HA VAL A 219 3.118 1.179 7.861 1.00 5.07 H new ATOM 0 HB VAL A 219 4.684 -1.099 6.576 1.00 5.20 H new ATOM 0 HG11 VAL A 219 6.296 0.629 5.889 1.00 5.47 H new ATOM 0 HG12 VAL A 219 4.697 0.876 5.147 1.00 5.47 H new ATOM 0 HG13 VAL A 219 5.206 1.888 6.520 1.00 5.47 H new ATOM 0 HG21 VAL A 219 6.497 -0.407 8.106 1.00 5.63 H new ATOM 0 HG22 VAL A 219 5.409 0.797 8.837 1.00 5.63 H new ATOM 0 HG23 VAL A 219 5.047 -0.938 8.992 1.00 5.63 H new ATOM 1034 N TYR A 220 2.106 -0.843 5.450 1.00 4.28 N ATOM 1035 CA TYR A 220 1.383 -0.899 4.187 1.00 4.00 C ATOM 1036 C TYR A 220 -0.008 -0.267 4.306 1.00 4.14 C ATOM 1037 O TYR A 220 -0.473 0.416 3.391 1.00 4.18 O ATOM 1038 CB TYR A 220 1.260 -2.352 3.720 1.00 3.69 C ATOM 1039 CG TYR A 220 0.829 -2.495 2.280 1.00 3.55 C ATOM 1040 CD1 TYR A 220 1.761 -2.459 1.249 1.00 3.52 C ATOM 1041 CD2 TYR A 220 -0.510 -2.657 1.948 1.00 3.97 C ATOM 1042 CE1 TYR A 220 1.370 -2.580 -0.069 1.00 3.66 C ATOM 1043 CE2 TYR A 220 -0.906 -2.780 0.631 1.00 4.12 C ATOM 1044 CZ TYR A 220 0.034 -2.740 -0.372 1.00 3.85 C ATOM 1045 OH TYR A 220 -0.365 -2.859 -1.682 1.00 4.23 O ATOM 0 H TYR A 220 2.358 -1.755 5.831 1.00 4.28 H new ATOM 0 HA TYR A 220 1.948 -0.326 3.451 1.00 4.00 H new ATOM 0 HB2 TYR A 220 2.221 -2.849 3.853 1.00 3.69 H new ATOM 0 HB3 TYR A 220 0.543 -2.869 4.357 1.00 3.69 H new ATOM 0 HD1 TYR A 220 2.808 -2.334 1.483 1.00 3.52 H new ATOM 0 HD2 TYR A 220 -1.252 -2.687 2.732 1.00 3.97 H new ATOM 0 HE1 TYR A 220 2.106 -2.550 -0.859 1.00 3.66 H new ATOM 0 HE2 TYR A 220 -1.951 -2.907 0.389 1.00 4.12 H new ATOM 0 HH TYR A 220 0.345 -2.530 -2.271 1.00 4.23 H new ATOM 1055 N LYS A 221 -0.658 -0.482 5.443 1.00 4.37 N ATOM 1056 CA LYS A 221 -1.996 0.056 5.669 1.00 4.73 C ATOM 1057 C LYS A 221 -1.958 1.569 5.892 1.00 5.09 C ATOM 1058 O LYS A 221 -2.895 2.283 5.539 1.00 5.27 O ATOM 1059 CB LYS A 221 -2.651 -0.630 6.869 1.00 5.11 C ATOM 1060 CG LYS A 221 -4.130 -0.934 6.674 1.00 5.12 C ATOM 1061 CD LYS A 221 -4.353 -2.049 5.658 1.00 5.57 C ATOM 1062 CE LYS A 221 -3.746 -3.366 6.125 1.00 5.79 C ATOM 1063 NZ LYS A 221 -4.214 -4.516 5.310 1.00 6.17 N1+ ATOM 0 H LYS A 221 -0.283 -1.023 6.222 1.00 4.37 H new ATOM 0 HA LYS A 221 -2.588 -0.142 4.775 1.00 4.73 H new ATOM 0 HB2 LYS A 221 -2.123 -1.561 7.076 1.00 5.11 H new ATOM 0 HB3 LYS A 221 -2.533 0.005 7.747 1.00 5.11 H new ATOM 0 HG2 LYS A 221 -4.571 -1.220 7.629 1.00 5.12 H new ATOM 0 HG3 LYS A 221 -4.645 -0.032 6.342 1.00 5.12 H new ATOM 0 HD2 LYS A 221 -5.422 -2.180 5.490 1.00 5.57 H new ATOM 0 HD3 LYS A 221 -3.913 -1.764 4.702 1.00 5.57 H new ATOM 0 HE2 LYS A 221 -2.659 -3.303 6.072 1.00 5.79 H new ATOM 0 HE3 LYS A 221 -4.005 -3.534 7.170 1.00 5.79 H new ATOM 0 HZ1 LYS A 221 -3.777 -5.392 5.662 1.00 6.17 H new ATOM 0 HZ2 LYS A 221 -5.249 -4.593 5.380 1.00 6.17 H new ATOM 0 HZ3 LYS A 221 -3.945 -4.370 4.316 1.00 6.17 H new ATOM 1077 N ILE A 222 -0.877 2.054 6.482 1.00 5.30 N ATOM 1078 CA ILE A 222 -0.725 3.482 6.739 1.00 5.78 C ATOM 1079 C ILE A 222 -0.365 4.216 5.450 1.00 5.68 C ATOM 1080 O ILE A 222 -0.782 5.354 5.227 1.00 6.01 O ATOM 1081 CB ILE A 222 0.360 3.750 7.808 1.00 6.15 C ATOM 1082 CG1 ILE A 222 0.070 2.933 9.070 1.00 6.30 C ATOM 1083 CG2 ILE A 222 0.431 5.236 8.139 1.00 6.74 C ATOM 1084 CD1 ILE A 222 1.267 2.761 9.978 1.00 6.53 C ATOM 0 H ILE A 222 -0.091 1.483 6.793 1.00 5.30 H new ATOM 0 HA ILE A 222 -1.678 3.853 7.116 1.00 5.78 H new ATOM 0 HB ILE A 222 1.326 3.443 7.407 1.00 6.15 H new ATOM 0 HG12 ILE A 222 -0.731 3.418 9.629 1.00 6.30 H new ATOM 0 HG13 ILE A 222 -0.296 1.949 8.778 1.00 6.30 H new ATOM 0 HG21 ILE A 222 1.200 5.404 8.893 1.00 6.74 H new ATOM 0 HG22 ILE A 222 0.677 5.798 7.238 1.00 6.74 H new ATOM 0 HG23 ILE A 222 -0.533 5.570 8.523 1.00 6.74 H new ATOM 0 HD11 ILE A 222 0.981 2.172 10.849 1.00 6.53 H new ATOM 0 HD12 ILE A 222 2.063 2.248 9.438 1.00 6.53 H new ATOM 0 HD13 ILE A 222 1.621 3.739 10.302 1.00 6.53 H new ATOM 1096 N HIS A 223 0.384 3.533 4.594 1.00 5.31 N ATOM 1097 CA HIS A 223 0.827 4.090 3.322 1.00 5.36 C ATOM 1098 C HIS A 223 -0.356 4.519 2.448 1.00 5.26 C ATOM 1099 O HIS A 223 -0.422 5.665 2.002 1.00 5.59 O ATOM 1100 CB HIS A 223 1.681 3.055 2.577 1.00 5.11 C ATOM 1101 CG HIS A 223 2.460 3.615 1.427 1.00 5.45 C ATOM 1102 ND1 HIS A 223 3.084 2.794 0.525 1.00 5.42 N ATOM 1103 CD2 HIS A 223 2.680 4.906 1.076 1.00 5.95 C ATOM 1104 CE1 HIS A 223 3.672 3.595 -0.347 1.00 5.92 C ATOM 1105 NE2 HIS A 223 3.455 4.884 -0.051 1.00 6.23 N ATOM 0 H HIS A 223 0.701 2.578 4.761 1.00 5.31 H new ATOM 0 HA HIS A 223 1.422 4.979 3.532 1.00 5.36 H new ATOM 0 HB2 HIS A 223 2.375 2.597 3.282 1.00 5.11 H new ATOM 0 HB3 HIS A 223 1.031 2.261 2.209 1.00 5.11 H new ATOM 0 HD2 HIS A 223 2.314 5.783 1.588 1.00 5.95 H new ATOM 0 HE1 HIS A 223 4.253 3.254 -1.191 1.00 5.92 H new ATOM 0 HE2 HIS A 223 3.801 5.693 -0.567 1.00 6.23 H new ATOM 1113 N GLN A 224 -1.298 3.603 2.234 1.00 4.91 N ATOM 1114 CA GLN A 224 -2.467 3.881 1.400 1.00 4.90 C ATOM 1115 C GLN A 224 -3.306 5.030 1.956 1.00 5.38 C ATOM 1116 O GLN A 224 -3.974 5.745 1.201 1.00 5.57 O ATOM 1117 CB GLN A 224 -3.329 2.628 1.239 1.00 4.63 C ATOM 1118 CG GLN A 224 -3.741 1.979 2.547 1.00 4.79 C ATOM 1119 CD GLN A 224 -4.465 0.665 2.335 1.00 4.97 C ATOM 1120 OE1 GLN A 224 -4.192 -0.062 1.377 1.00 5.09 O ATOM 1121 NE2 GLN A 224 -5.396 0.359 3.220 1.00 5.38 N ATOM 0 H GLN A 224 -1.275 2.662 2.626 1.00 4.91 H new ATOM 0 HA GLN A 224 -2.097 4.185 0.421 1.00 4.90 H new ATOM 0 HB2 GLN A 224 -4.227 2.889 0.678 1.00 4.63 H new ATOM 0 HB3 GLN A 224 -2.781 1.899 0.642 1.00 4.63 H new ATOM 0 HG2 GLN A 224 -2.856 1.809 3.160 1.00 4.79 H new ATOM 0 HG3 GLN A 224 -4.386 2.661 3.101 1.00 4.79 H new ATOM 0 HE21 GLN A 224 -5.588 0.991 3.997 1.00 5.38 H new ATOM 0 HE22 GLN A 224 -5.923 -0.509 3.126 1.00 5.38 H new ATOM 1130 N GLN A 225 -3.259 5.219 3.268 1.00 5.66 N ATOM 1131 CA GLN A 225 -4.016 6.286 3.906 1.00 6.22 C ATOM 1132 C GLN A 225 -3.422 7.642 3.550 1.00 6.53 C ATOM 1133 O GLN A 225 -4.151 8.597 3.272 1.00 6.88 O ATOM 1134 CB GLN A 225 -4.032 6.098 5.423 1.00 6.56 C ATOM 1135 CG GLN A 225 -4.983 5.006 5.889 1.00 6.94 C ATOM 1136 CD GLN A 225 -4.851 4.709 7.368 1.00 7.36 C ATOM 1137 OE1 GLN A 225 -5.479 5.361 8.200 1.00 7.76 O ATOM 1138 NE2 GLN A 225 -4.045 3.717 7.705 1.00 7.56 N ATOM 0 H GLN A 225 -2.707 4.649 3.909 1.00 5.66 H new ATOM 0 HA GLN A 225 -5.042 6.247 3.541 1.00 6.22 H new ATOM 0 HB2 GLN A 225 -3.024 5.860 5.762 1.00 6.56 H new ATOM 0 HB3 GLN A 225 -4.313 7.039 5.895 1.00 6.56 H new ATOM 0 HG2 GLN A 225 -6.008 5.306 5.673 1.00 6.94 H new ATOM 0 HG3 GLN A 225 -4.791 4.096 5.321 1.00 6.94 H new ATOM 0 HE21 GLN A 225 -3.542 3.201 6.983 1.00 7.56 H new ATOM 0 HE22 GLN A 225 -3.926 3.468 8.687 1.00 7.56 H new ATOM 1147 N LEU A 226 -2.097 7.709 3.544 1.00 6.49 N ATOM 1148 CA LEU A 226 -1.392 8.942 3.218 1.00 6.92 C ATOM 1149 C LEU A 226 -1.566 9.282 1.746 1.00 6.85 C ATOM 1150 O LEU A 226 -1.756 10.445 1.386 1.00 7.28 O ATOM 1151 CB LEU A 226 0.098 8.814 3.548 1.00 7.02 C ATOM 1152 CG LEU A 226 0.420 8.582 5.023 1.00 7.62 C ATOM 1153 CD1 LEU A 226 1.927 8.526 5.236 1.00 7.93 C ATOM 1154 CD2 LEU A 226 -0.199 9.673 5.883 1.00 8.09 C ATOM 0 H LEU A 226 -1.487 6.921 3.762 1.00 6.49 H new ATOM 0 HA LEU A 226 -1.818 9.745 3.819 1.00 6.92 H new ATOM 0 HB2 LEU A 226 0.513 7.989 2.968 1.00 7.02 H new ATOM 0 HB3 LEU A 226 0.606 9.721 3.220 1.00 7.02 H new ATOM 0 HG LEU A 226 -0.007 7.625 5.322 1.00 7.62 H new ATOM 0 HD11 LEU A 226 2.139 8.360 6.292 1.00 7.93 H new ATOM 0 HD12 LEU A 226 2.347 7.710 4.649 1.00 7.93 H new ATOM 0 HD13 LEU A 226 2.374 9.468 4.920 1.00 7.93 H new ATOM 0 HD21 LEU A 226 0.041 9.491 6.930 1.00 8.09 H new ATOM 0 HD22 LEU A 226 0.199 10.642 5.583 1.00 8.09 H new ATOM 0 HD23 LEU A 226 -1.281 9.669 5.753 1.00 8.09 H new ATOM 1166 N LEU A 227 -1.515 8.257 0.900 1.00 6.38 N ATOM 1167 CA LEU A 227 -1.665 8.438 -0.539 1.00 6.38 C ATOM 1168 C LEU A 227 -3.025 9.035 -0.875 1.00 6.51 C ATOM 1169 O LEU A 227 -3.125 9.934 -1.707 1.00 6.81 O ATOM 1170 CB LEU A 227 -1.493 7.102 -1.269 1.00 5.94 C ATOM 1171 CG LEU A 227 -0.125 6.436 -1.105 1.00 5.92 C ATOM 1172 CD1 LEU A 227 -0.081 5.125 -1.873 1.00 5.56 C ATOM 1173 CD2 LEU A 227 0.983 7.364 -1.575 1.00 6.51 C ATOM 0 H LEU A 227 -1.370 7.289 1.188 1.00 6.38 H new ATOM 0 HA LEU A 227 -0.890 9.129 -0.870 1.00 6.38 H new ATOM 0 HB2 LEU A 227 -2.259 6.412 -0.914 1.00 5.94 H new ATOM 0 HB3 LEU A 227 -1.675 7.262 -2.332 1.00 5.94 H new ATOM 0 HG LEU A 227 0.031 6.226 -0.047 1.00 5.92 H new ATOM 0 HD11 LEU A 227 0.898 4.662 -1.747 1.00 5.56 H new ATOM 0 HD12 LEU A 227 -0.851 4.454 -1.492 1.00 5.56 H new ATOM 0 HD13 LEU A 227 -0.258 5.317 -2.931 1.00 5.56 H new ATOM 0 HD21 LEU A 227 1.947 6.872 -1.450 1.00 6.51 H new ATOM 0 HD22 LEU A 227 0.833 7.606 -2.627 1.00 6.51 H new ATOM 0 HD23 LEU A 227 0.964 8.281 -0.985 1.00 6.51 H new ATOM 1185 N PHE A 228 -4.068 8.546 -0.214 1.00 6.38 N ATOM 1186 CA PHE A 228 -5.421 9.038 -0.458 1.00 6.62 C ATOM 1187 C PHE A 228 -5.540 10.515 -0.094 1.00 7.17 C ATOM 1188 O PHE A 228 -6.133 11.296 -0.838 1.00 7.44 O ATOM 1189 CB PHE A 228 -6.445 8.218 0.328 1.00 6.57 C ATOM 1190 CG PHE A 228 -7.863 8.529 -0.035 1.00 6.89 C ATOM 1191 CD1 PHE A 228 -8.412 8.035 -1.204 1.00 7.04 C ATOM 1192 CD2 PHE A 228 -8.646 9.310 0.794 1.00 7.26 C ATOM 1193 CE1 PHE A 228 -9.720 8.317 -1.540 1.00 7.43 C ATOM 1194 CE2 PHE A 228 -9.952 9.598 0.465 1.00 7.64 C ATOM 1195 CZ PHE A 228 -10.493 9.100 -0.704 1.00 7.67 C ATOM 0 H PHE A 228 -4.005 7.813 0.492 1.00 6.38 H new ATOM 0 HA PHE A 228 -5.628 8.928 -1.522 1.00 6.62 H new ATOM 0 HB2 PHE A 228 -6.258 7.158 0.157 1.00 6.57 H new ATOM 0 HB3 PHE A 228 -6.303 8.399 1.393 1.00 6.57 H new ATOM 0 HD1 PHE A 228 -7.811 7.423 -1.860 1.00 7.04 H new ATOM 0 HD2 PHE A 228 -8.229 9.699 1.711 1.00 7.26 H new ATOM 0 HE1 PHE A 228 -10.139 7.926 -2.455 1.00 7.43 H new ATOM 0 HE2 PHE A 228 -10.552 10.212 1.120 1.00 7.64 H new ATOM 0 HZ PHE A 228 -11.517 9.322 -0.964 1.00 7.67 H new ATOM 1205 N LYS A 229 -4.961 10.897 1.037 1.00 7.38 N ATOM 1206 CA LYS A 229 -5.009 12.286 1.489 1.00 7.96 C ATOM 1207 C LYS A 229 -4.203 13.181 0.558 1.00 8.17 C ATOM 1208 O LYS A 229 -4.590 14.317 0.282 1.00 8.60 O ATOM 1209 CB LYS A 229 -4.484 12.405 2.920 1.00 8.19 C ATOM 1210 CG LYS A 229 -5.543 12.137 3.974 1.00 8.20 C ATOM 1211 CD LYS A 229 -5.010 12.389 5.375 1.00 8.62 C ATOM 1212 CE LYS A 229 -6.086 12.165 6.429 1.00 8.81 C ATOM 1213 NZ LYS A 229 -6.576 10.762 6.434 1.00 9.36 N1+ ATOM 0 H LYS A 229 -4.453 10.268 1.659 1.00 7.38 H new ATOM 0 HA LYS A 229 -6.049 12.613 1.472 1.00 7.96 H new ATOM 0 HB2 LYS A 229 -3.660 11.704 3.057 1.00 8.19 H new ATOM 0 HB3 LYS A 229 -4.079 13.406 3.069 1.00 8.19 H new ATOM 0 HG2 LYS A 229 -6.408 12.775 3.792 1.00 8.20 H new ATOM 0 HG3 LYS A 229 -5.885 11.105 3.894 1.00 8.20 H new ATOM 0 HD2 LYS A 229 -4.166 11.727 5.569 1.00 8.62 H new ATOM 0 HD3 LYS A 229 -4.637 13.411 5.445 1.00 8.62 H new ATOM 0 HE2 LYS A 229 -5.687 12.413 7.413 1.00 8.81 H new ATOM 0 HE3 LYS A 229 -6.921 12.840 6.244 1.00 8.81 H new ATOM 0 HZ1 LYS A 229 -7.164 10.603 7.277 1.00 9.36 H new ATOM 0 HZ2 LYS A 229 -7.142 10.589 5.579 1.00 9.36 H new ATOM 0 HZ3 LYS A 229 -5.765 10.111 6.450 1.00 9.36 H new ATOM 1227 N ALA A 230 -3.087 12.653 0.070 1.00 7.94 N ATOM 1228 CA ALA A 230 -2.224 13.392 -0.843 1.00 8.24 C ATOM 1229 C ALA A 230 -2.937 13.684 -2.163 1.00 8.26 C ATOM 1230 O ALA A 230 -2.629 14.660 -2.848 1.00 8.69 O ATOM 1231 CB ALA A 230 -0.935 12.621 -1.084 1.00 8.09 C ATOM 0 H ALA A 230 -2.758 11.713 0.292 1.00 7.94 H new ATOM 0 HA ALA A 230 -1.978 14.349 -0.383 1.00 8.24 H new ATOM 0 HB1 ALA A 230 -0.298 13.182 -1.767 1.00 8.09 H new ATOM 0 HB2 ALA A 230 -0.414 12.478 -0.137 1.00 8.09 H new ATOM 0 HB3 ALA A 230 -1.168 11.650 -1.520 1.00 8.09 H new ATOM 1603 N ASN B 116 9.992 -20.096 -2.391 1.00 11.51 N ATOM 1604 CA ASN B 116 8.685 -19.501 -2.125 1.00 10.99 C ATOM 1605 C ASN B 116 8.788 -17.998 -1.863 1.00 10.00 C ATOM 1606 O ASN B 116 8.171 -17.474 -0.937 1.00 9.54 O ATOM 1607 CB ASN B 116 8.050 -20.211 -0.933 1.00 11.43 C ATOM 1608 CG ASN B 116 7.044 -21.260 -1.368 1.00 11.80 C ATOM 1609 OD1 ASN B 116 7.075 -21.733 -2.501 1.00 12.04 O ATOM 1610 ND2 ASN B 116 6.139 -21.622 -0.477 1.00 12.05 N ATOM 0 HA ASN B 116 8.059 -19.627 -3.008 1.00 10.99 H new ATOM 0 HB2 ASN B 116 8.829 -20.682 -0.334 1.00 11.43 H new ATOM 0 HB3 ASN B 116 7.557 -19.478 -0.295 1.00 11.43 H new ATOM 0 HD21 ASN B 116 5.433 -22.317 -0.720 1.00 12.05 H new ATOM 0 HD22 ASN B 116 6.146 -21.206 0.454 1.00 12.05 H new ATOM 1617 N SER B 117 9.544 -17.303 -2.702 1.00 9.85 N ATOM 1618 CA SER B 117 9.753 -15.867 -2.552 1.00 9.09 C ATOM 1619 C SER B 117 8.464 -15.048 -2.765 1.00 8.48 C ATOM 1620 O SER B 117 8.342 -13.936 -2.251 1.00 7.94 O ATOM 1621 CB SER B 117 10.816 -15.423 -3.551 1.00 9.58 C ATOM 1622 OG SER B 117 11.831 -16.412 -3.687 1.00 10.42 O ATOM 0 H SER B 117 10.027 -17.714 -3.501 1.00 9.85 H new ATOM 0 HA SER B 117 10.076 -15.682 -1.527 1.00 9.09 H new ATOM 0 HB2 SER B 117 10.354 -15.235 -4.520 1.00 9.58 H new ATOM 0 HB3 SER B 117 11.260 -14.483 -3.222 1.00 9.58 H new ATOM 0 HG SER B 117 12.501 -16.106 -4.334 1.00 10.42 H new ATOM 1628 N LYS B 118 7.510 -15.595 -3.510 1.00 8.71 N ATOM 1629 CA LYS B 118 6.251 -14.892 -3.802 1.00 8.32 C ATOM 1630 C LYS B 118 5.373 -14.733 -2.558 1.00 7.50 C ATOM 1631 O LYS B 118 4.531 -13.831 -2.497 1.00 7.07 O ATOM 1632 CB LYS B 118 5.473 -15.644 -4.892 1.00 9.09 C ATOM 1633 CG LYS B 118 4.171 -14.970 -5.304 1.00 9.49 C ATOM 1634 CD LYS B 118 3.250 -15.946 -6.026 1.00 10.17 C ATOM 1635 CE LYS B 118 1.890 -15.330 -6.341 1.00 10.68 C ATOM 1636 NZ LYS B 118 1.140 -14.964 -5.109 1.00 11.16 N1+ ATOM 0 H LYS B 118 7.578 -16.524 -3.926 1.00 8.71 H new ATOM 0 HA LYS B 118 6.511 -13.892 -4.151 1.00 8.32 H new ATOM 0 HB2 LYS B 118 6.109 -15.749 -5.771 1.00 9.09 H new ATOM 0 HB3 LYS B 118 5.252 -16.651 -4.537 1.00 9.09 H new ATOM 0 HG2 LYS B 118 3.667 -14.576 -4.421 1.00 9.49 H new ATOM 0 HG3 LYS B 118 4.387 -14.122 -5.953 1.00 9.49 H new ATOM 0 HD2 LYS B 118 3.723 -16.271 -6.953 1.00 10.17 H new ATOM 0 HD3 LYS B 118 3.111 -16.835 -5.410 1.00 10.17 H new ATOM 0 HE2 LYS B 118 2.029 -14.442 -6.957 1.00 10.68 H new ATOM 0 HE3 LYS B 118 1.301 -16.035 -6.927 1.00 10.68 H new ATOM 0 HZ1 LYS B 118 0.150 -14.759 -5.353 1.00 11.16 H new ATOM 0 HZ2 LYS B 118 1.173 -15.755 -4.435 1.00 11.16 H new ATOM 0 HZ3 LYS B 118 1.572 -14.122 -4.677 1.00 11.16 H new ATOM 1650 N GLU B 119 5.588 -15.578 -1.560 1.00 7.48 N ATOM 1651 CA GLU B 119 4.787 -15.552 -0.334 1.00 6.99 C ATOM 1652 C GLU B 119 4.874 -14.216 0.409 1.00 6.13 C ATOM 1653 O GLU B 119 3.947 -13.841 1.125 1.00 5.77 O ATOM 1654 CB GLU B 119 5.220 -16.683 0.594 1.00 7.65 C ATOM 1655 CG GLU B 119 4.989 -18.066 0.015 1.00 8.43 C ATOM 1656 CD GLU B 119 4.879 -19.121 1.090 1.00 9.01 C ATOM 1657 OE1 GLU B 119 5.923 -19.651 1.526 1.00 9.37 O1- ATOM 1658 OE2 GLU B 119 3.742 -19.426 1.511 1.00 9.34 O ATOM 0 H GLU B 119 6.313 -16.295 -1.571 1.00 7.48 H new ATOM 0 HA GLU B 119 3.748 -15.685 -0.634 1.00 6.99 H new ATOM 0 HB2 GLU B 119 6.279 -16.567 0.825 1.00 7.65 H new ATOM 0 HB3 GLU B 119 4.677 -16.597 1.535 1.00 7.65 H new ATOM 0 HG2 GLU B 119 4.077 -18.061 -0.582 1.00 8.43 H new ATOM 0 HG3 GLU B 119 5.809 -18.318 -0.658 1.00 8.43 H new ATOM 1665 N TRP B 120 5.972 -13.497 0.230 1.00 6.01 N ATOM 1666 CA TRP B 120 6.166 -12.220 0.907 1.00 5.38 C ATOM 1667 C TRP B 120 5.157 -11.171 0.434 1.00 4.90 C ATOM 1668 O TRP B 120 4.510 -10.514 1.250 1.00 4.43 O ATOM 1669 CB TRP B 120 7.602 -11.733 0.715 1.00 5.80 C ATOM 1670 CG TRP B 120 8.611 -12.647 1.354 1.00 5.98 C ATOM 1671 CD1 TRP B 120 9.358 -13.607 0.735 1.00 6.39 C ATOM 1672 CD2 TRP B 120 8.967 -12.697 2.742 1.00 6.18 C ATOM 1673 NE1 TRP B 120 10.157 -14.251 1.652 1.00 6.78 N ATOM 1674 CE2 TRP B 120 9.937 -13.709 2.888 1.00 6.64 C ATOM 1675 CE3 TRP B 120 8.563 -11.985 3.875 1.00 6.35 C ATOM 1676 CZ2 TRP B 120 10.504 -14.023 4.120 1.00 7.17 C ATOM 1677 CZ3 TRP B 120 9.129 -12.295 5.097 1.00 6.93 C ATOM 1678 CH2 TRP B 120 10.092 -13.309 5.212 1.00 7.28 C ATOM 0 H TRP B 120 6.743 -13.774 -0.378 1.00 6.01 H new ATOM 0 HA TRP B 120 5.992 -12.372 1.972 1.00 5.38 H new ATOM 0 HB2 TRP B 120 7.815 -11.651 -0.351 1.00 5.80 H new ATOM 0 HB3 TRP B 120 7.703 -10.734 1.138 1.00 5.80 H new ATOM 0 HD1 TRP B 120 9.327 -13.829 -0.321 1.00 6.39 H new ATOM 0 HE1 TRP B 120 10.807 -15.009 1.444 1.00 6.78 H new ATOM 0 HE3 TRP B 120 7.820 -11.205 3.797 1.00 6.35 H new ATOM 0 HZ2 TRP B 120 11.244 -14.804 4.211 1.00 7.17 H new ATOM 0 HZ3 TRP B 120 8.825 -11.748 5.977 1.00 6.93 H new ATOM 0 HH2 TRP B 120 10.516 -13.530 6.180 1.00 7.28 H new ATOM 1689 N THR B 121 4.988 -11.033 -0.874 1.00 5.33 N ATOM 1690 CA THR B 121 4.043 -10.052 -1.401 1.00 5.34 C ATOM 1691 C THR B 121 2.600 -10.486 -1.145 1.00 5.03 C ATOM 1692 O THR B 121 1.682 -9.663 -1.158 1.00 5.08 O ATOM 1693 CB THR B 121 4.243 -9.811 -2.911 1.00 6.28 C ATOM 1694 OG1 THR B 121 4.605 -11.035 -3.566 1.00 6.81 O ATOM 1695 CG2 THR B 121 5.317 -8.762 -3.153 1.00 6.77 C ATOM 0 H THR B 121 5.483 -11.577 -1.581 1.00 5.33 H new ATOM 0 HA THR B 121 4.239 -9.118 -0.874 1.00 5.34 H new ATOM 0 HB THR B 121 3.302 -9.448 -3.324 1.00 6.28 H new ATOM 0 HG1 THR B 121 4.727 -10.869 -4.524 1.00 6.81 H new ATOM 0 HG21 THR B 121 5.441 -8.609 -4.225 1.00 6.77 H new ATOM 0 HG22 THR B 121 5.021 -7.824 -2.684 1.00 6.77 H new ATOM 0 HG23 THR B 121 6.260 -9.101 -2.724 1.00 6.77 H new ATOM 1703 N SER B 122 2.420 -11.775 -0.875 1.00 5.01 N ATOM 1704 CA SER B 122 1.101 -12.338 -0.616 1.00 4.99 C ATOM 1705 C SER B 122 0.505 -11.785 0.682 1.00 4.55 C ATOM 1706 O SER B 122 -0.706 -11.846 0.888 1.00 4.76 O ATOM 1707 CB SER B 122 1.186 -13.865 -0.550 1.00 5.61 C ATOM 1708 OG SER B 122 -0.042 -14.469 -0.928 1.00 6.23 O ATOM 0 H SER B 122 3.180 -12.454 -0.830 1.00 5.01 H new ATOM 0 HA SER B 122 0.443 -12.050 -1.436 1.00 4.99 H new ATOM 0 HB2 SER B 122 1.983 -14.215 -1.206 1.00 5.61 H new ATOM 0 HB3 SER B 122 1.448 -14.173 0.462 1.00 5.61 H new ATOM 0 HG SER B 122 0.044 -15.444 -0.877 1.00 6.23 H new ATOM 1714 N LEU B 123 1.355 -11.254 1.556 1.00 4.24 N ATOM 1715 CA LEU B 123 0.888 -10.692 2.818 1.00 4.22 C ATOM 1716 C LEU B 123 1.101 -9.179 2.855 1.00 4.10 C ATOM 1717 O LEU B 123 0.791 -8.520 3.847 1.00 4.50 O ATOM 1718 CB LEU B 123 1.597 -11.358 4.005 1.00 4.40 C ATOM 1719 CG LEU B 123 3.107 -11.110 4.102 1.00 5.14 C ATOM 1720 CD1 LEU B 123 3.434 -10.263 5.324 1.00 5.74 C ATOM 1721 CD2 LEU B 123 3.861 -12.431 4.153 1.00 5.71 C ATOM 0 H LEU B 123 2.364 -11.201 1.415 1.00 4.24 H new ATOM 0 HA LEU B 123 -0.181 -10.890 2.897 1.00 4.22 H new ATOM 0 HB2 LEU B 123 1.130 -11.009 4.926 1.00 4.40 H new ATOM 0 HB3 LEU B 123 1.427 -12.433 3.949 1.00 4.40 H new ATOM 0 HG LEU B 123 3.423 -10.565 3.212 1.00 5.14 H new ATOM 0 HD11 LEU B 123 4.510 -10.098 5.375 1.00 5.74 H new ATOM 0 HD12 LEU B 123 2.923 -9.303 5.249 1.00 5.74 H new ATOM 0 HD13 LEU B 123 3.103 -10.780 6.224 1.00 5.74 H new ATOM 0 HD21 LEU B 123 4.931 -12.237 4.222 1.00 5.71 H new ATOM 0 HD22 LEU B 123 3.539 -13.000 5.025 1.00 5.71 H new ATOM 0 HD23 LEU B 123 3.654 -13.003 3.249 1.00 5.71 H new