USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=13 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 213 MET CE :methyl -116:sc= 0 (180deg=-0.157) USER MOD Set 1.2: B 121 THR OG1 : rot 180:sc= 0.16 USER MOD Set 2.1: A 195 THR OG1 : rot 148:sc= 0.823 USER MOD Set 2.2: A 198 GLN : amide:sc= 0.62 K(o=1.4,f=-0.52) USER MOD Set 3.1: A 173 MET CE :methyl -167:sc= -1.81 (180deg=-1.25) USER MOD Set 3.2: A 223 HIS : no HD1:sc= 0.0064 K(o=-1.8,f=-7.2!) USER MOD Single : A 171 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 172 GLN : amide:sc= -0.566 K(o=-0.57,f=-0.041) USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 180 LYS NZ :NH3+ -170:sc=-0.00843 (180deg=-0.149) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 GLN : amide:sc= 0 X(o=0,f=0.27) USER MOD Single : A 188 ASN : amide:sc= 0.197 X(o=0.2,f=-0.11) USER MOD Single : A 192 ASN : amide:sc= -1.82! C(o=-1.8!,f=-5!) USER MOD Single : A 194 ASN : amide:sc= -1.27 K(o=-1.3,f=-4.5!) USER MOD Single : A 197 GLN : amide:sc= -0.258 K(o=-0.26,f=-3.6!) USER MOD Single : A 200 THR OG1 : rot 52:sc= 0.194 USER MOD Single : A 204 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.5!) USER MOD Single : A 205 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 206 LYS NZ :NH3+ -158:sc= -0.0872 (180deg=-0.533) USER MOD Single : A 209 THR OG1 : rot -42:sc= 1.09 USER MOD Single : A 211 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.2) USER MOD Single : A 217 LYS NZ :NH3+ -148:sc= 1.97 (180deg=1.52) USER MOD Single : A 220 TYR OH : rot 180:sc= 0 USER MOD Single : A 221 LYS NZ :NH3+ 161:sc= 0.819 (180deg=0.451) USER MOD Single : A 224 GLN : amide:sc= 0.838 K(o=0.84,f=0) USER MOD Single : A 225 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 116 ASN : amide:sc= -0.279 K(o=-0.28,f=-1.5!) USER MOD Single : B 117 SER OG : rot 180:sc=0.000119 USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 122 SER OG : rot 164:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 169 -6.681 2.647 -6.300 1.00 5.81 N ATOM 201 CA LEU A 169 -5.883 3.106 -5.173 1.00 5.44 C ATOM 202 C LEU A 169 -4.647 2.230 -5.003 1.00 5.18 C ATOM 203 O LEU A 169 -3.540 2.727 -4.798 1.00 5.07 O ATOM 204 CB LEU A 169 -6.721 3.094 -3.893 1.00 5.36 C ATOM 205 CG LEU A 169 -8.061 3.834 -3.988 1.00 5.65 C ATOM 206 CD1 LEU A 169 -9.008 3.370 -2.891 1.00 5.76 C ATOM 207 CD2 LEU A 169 -7.851 5.340 -3.905 1.00 5.82 C ATOM 0 HA LEU A 169 -5.558 4.128 -5.371 1.00 5.44 H new ATOM 0 HB2 LEU A 169 -6.914 2.058 -3.613 1.00 5.36 H new ATOM 0 HB3 LEU A 169 -6.134 3.538 -3.089 1.00 5.36 H new ATOM 0 HG LEU A 169 -8.510 3.602 -4.954 1.00 5.65 H new ATOM 0 HD11 LEU A 169 -9.953 3.907 -2.975 1.00 5.76 H new ATOM 0 HD12 LEU A 169 -9.188 2.300 -2.994 1.00 5.76 H new ATOM 0 HD13 LEU A 169 -8.562 3.571 -1.917 1.00 5.76 H new ATOM 0 HD21 LEU A 169 -8.814 5.846 -3.974 1.00 5.82 H new ATOM 0 HD22 LEU A 169 -7.378 5.590 -2.955 1.00 5.82 H new ATOM 0 HD23 LEU A 169 -7.211 5.664 -4.726 1.00 5.82 H new ATOM 219 N VAL A 170 -4.841 0.919 -5.115 1.00 5.20 N ATOM 220 CA VAL A 170 -3.741 -0.030 -4.967 1.00 5.06 C ATOM 221 C VAL A 170 -2.758 0.079 -6.132 1.00 5.34 C ATOM 222 O VAL A 170 -1.598 -0.313 -6.016 1.00 5.28 O ATOM 223 CB VAL A 170 -4.240 -1.487 -4.855 1.00 5.24 C ATOM 224 CG1 VAL A 170 -3.090 -2.425 -4.508 1.00 5.25 C ATOM 225 CG2 VAL A 170 -5.347 -1.596 -3.817 1.00 5.42 C ATOM 0 H VAL A 170 -5.746 0.490 -5.307 1.00 5.20 H new ATOM 0 HA VAL A 170 -3.233 0.231 -4.039 1.00 5.06 H new ATOM 0 HB VAL A 170 -4.645 -1.783 -5.823 1.00 5.24 H new ATOM 0 HG11 VAL A 170 -3.463 -3.446 -4.434 1.00 5.25 H new ATOM 0 HG12 VAL A 170 -2.330 -2.372 -5.287 1.00 5.25 H new ATOM 0 HG13 VAL A 170 -2.653 -2.128 -3.554 1.00 5.25 H new ATOM 0 HG21 VAL A 170 -5.685 -2.630 -3.753 1.00 5.42 H new ATOM 0 HG22 VAL A 170 -4.968 -1.277 -2.846 1.00 5.42 H new ATOM 0 HG23 VAL A 170 -6.182 -0.959 -4.107 1.00 5.42 H new ATOM 235 N ASN A 171 -3.222 0.624 -7.252 1.00 5.77 N ATOM 236 CA ASN A 171 -2.379 0.781 -8.437 1.00 6.24 C ATOM 237 C ASN A 171 -1.140 1.613 -8.124 1.00 6.25 C ATOM 238 O ASN A 171 -0.063 1.364 -8.664 1.00 6.59 O ATOM 239 CB ASN A 171 -3.166 1.424 -9.582 1.00 6.76 C ATOM 240 CG ASN A 171 -2.685 0.955 -10.943 1.00 7.31 C ATOM 241 OD1 ASN A 171 -2.894 -0.203 -11.318 1.00 7.47 O ATOM 242 ND2 ASN A 171 -2.047 1.842 -11.693 1.00 7.80 N ATOM 0 H ASN A 171 -4.177 0.965 -7.366 1.00 5.77 H new ATOM 0 HA ASN A 171 -2.057 -0.213 -8.747 1.00 6.24 H new ATOM 0 HB2 ASN A 171 -4.224 1.187 -9.471 1.00 6.76 H new ATOM 0 HB3 ASN A 171 -3.074 2.508 -9.520 1.00 6.76 H new ATOM 0 HD21 ASN A 171 -1.708 1.578 -12.618 1.00 7.80 H new ATOM 0 HD22 ASN A 171 -1.895 2.789 -11.345 1.00 7.80 H new ATOM 249 N GLN A 172 -1.289 2.589 -7.234 1.00 6.00 N ATOM 250 CA GLN A 172 -0.169 3.439 -6.847 1.00 6.13 C ATOM 251 C GLN A 172 0.667 2.754 -5.770 1.00 5.80 C ATOM 252 O GLN A 172 1.843 3.066 -5.595 1.00 6.06 O ATOM 253 CB GLN A 172 -0.662 4.794 -6.327 1.00 6.13 C ATOM 254 CG GLN A 172 -1.104 5.755 -7.422 1.00 6.58 C ATOM 255 CD GLN A 172 -2.592 5.687 -7.691 1.00 6.95 C ATOM 256 OE1 GLN A 172 -3.383 6.400 -7.072 1.00 7.27 O ATOM 257 NE2 GLN A 172 -2.981 4.850 -8.635 1.00 7.22 N ATOM 0 H GLN A 172 -2.170 2.810 -6.769 1.00 6.00 H new ATOM 0 HA GLN A 172 0.446 3.607 -7.732 1.00 6.13 H new ATOM 0 HB2 GLN A 172 -1.496 4.628 -5.645 1.00 6.13 H new ATOM 0 HB3 GLN A 172 0.135 5.261 -5.748 1.00 6.13 H new ATOM 0 HG2 GLN A 172 -0.836 6.772 -7.137 1.00 6.58 H new ATOM 0 HG3 GLN A 172 -0.562 5.528 -8.340 1.00 6.58 H new ATOM 0 HE21 GLN A 172 -2.293 4.277 -9.124 1.00 7.22 H new ATOM 0 HE22 GLN A 172 -3.969 4.776 -8.876 1.00 7.22 H new ATOM 266 N MET A 173 0.059 1.800 -5.075 1.00 5.33 N ATOM 267 CA MET A 173 0.734 1.072 -4.001 1.00 5.03 C ATOM 268 C MET A 173 1.568 -0.087 -4.541 1.00 5.21 C ATOM 269 O MET A 173 2.139 -0.863 -3.776 1.00 5.01 O ATOM 270 CB MET A 173 -0.288 0.534 -2.997 1.00 4.54 C ATOM 271 CG MET A 173 -1.004 1.614 -2.205 1.00 4.49 C ATOM 272 SD MET A 173 0.114 2.612 -1.198 1.00 4.57 S ATOM 273 CE MET A 173 1.039 1.346 -0.335 1.00 4.49 C ATOM 0 H MET A 173 -0.906 1.510 -5.235 1.00 5.33 H new ATOM 0 HA MET A 173 1.403 1.775 -3.505 1.00 5.03 H new ATOM 0 HB2 MET A 173 -1.028 -0.061 -3.531 1.00 4.54 H new ATOM 0 HB3 MET A 173 0.219 -0.136 -2.302 1.00 4.54 H new ATOM 0 HG2 MET A 173 -1.542 2.265 -2.894 1.00 4.49 H new ATOM 0 HG3 MET A 173 -1.748 1.149 -1.559 1.00 4.49 H new ATOM 0 HE1 MET A 173 1.599 1.799 0.483 1.00 4.49 H new ATOM 0 HE2 MET A 173 0.351 0.601 0.065 1.00 4.49 H new ATOM 0 HE3 MET A 173 1.731 0.866 -1.027 1.00 4.49 H new ATOM 283 N LYS A 174 1.628 -0.206 -5.858 1.00 5.68 N ATOM 284 CA LYS A 174 2.398 -1.268 -6.486 1.00 6.02 C ATOM 285 C LYS A 174 3.837 -0.810 -6.689 1.00 6.49 C ATOM 286 O LYS A 174 4.779 -1.596 -6.584 1.00 6.55 O ATOM 287 CB LYS A 174 1.772 -1.655 -7.825 1.00 6.45 C ATOM 288 CG LYS A 174 1.401 -3.127 -7.918 1.00 6.44 C ATOM 289 CD LYS A 174 0.966 -3.514 -9.322 1.00 6.92 C ATOM 290 CE LYS A 174 2.100 -3.348 -10.321 1.00 7.15 C ATOM 291 NZ LYS A 174 1.725 -3.834 -11.671 1.00 7.76 N1+ ATOM 0 H LYS A 174 1.154 0.418 -6.511 1.00 5.68 H new ATOM 0 HA LYS A 174 2.392 -2.143 -5.836 1.00 6.02 H new ATOM 0 HB2 LYS A 174 0.878 -1.052 -7.987 1.00 6.45 H new ATOM 0 HB3 LYS A 174 2.470 -1.413 -8.627 1.00 6.45 H new ATOM 0 HG2 LYS A 174 2.255 -3.736 -7.622 1.00 6.44 H new ATOM 0 HG3 LYS A 174 0.596 -3.344 -7.216 1.00 6.44 H new ATOM 0 HD2 LYS A 174 0.624 -4.549 -9.326 1.00 6.92 H new ATOM 0 HD3 LYS A 174 0.119 -2.898 -9.625 1.00 6.92 H new ATOM 0 HE2 LYS A 174 2.381 -2.297 -10.379 1.00 7.15 H new ATOM 0 HE3 LYS A 174 2.976 -3.893 -9.969 1.00 7.15 H new ATOM 0 HZ1 LYS A 174 2.525 -3.703 -12.322 1.00 7.76 H new ATOM 0 HZ2 LYS A 174 1.481 -4.844 -11.621 1.00 7.76 H new ATOM 0 HZ3 LYS A 174 0.905 -3.297 -12.018 1.00 7.76 H new ATOM 305 N VAL A 175 3.986 0.474 -6.978 1.00 6.90 N ATOM 306 CA VAL A 175 5.293 1.074 -7.188 1.00 7.46 C ATOM 307 C VAL A 175 5.356 2.432 -6.509 1.00 7.44 C ATOM 308 O VAL A 175 5.139 3.472 -7.133 1.00 7.78 O ATOM 309 CB VAL A 175 5.629 1.238 -8.687 1.00 8.18 C ATOM 310 CG1 VAL A 175 6.306 -0.015 -9.212 1.00 8.62 C ATOM 311 CG2 VAL A 175 4.377 1.556 -9.498 1.00 8.33 C ATOM 0 H VAL A 175 3.207 1.126 -7.073 1.00 6.90 H new ATOM 0 HA VAL A 175 6.029 0.399 -6.752 1.00 7.46 H new ATOM 0 HB VAL A 175 6.316 2.077 -8.795 1.00 8.18 H new ATOM 0 HG11 VAL A 175 6.538 0.113 -10.269 1.00 8.62 H new ATOM 0 HG12 VAL A 175 7.228 -0.190 -8.657 1.00 8.62 H new ATOM 0 HG13 VAL A 175 5.639 -0.868 -9.087 1.00 8.62 H new ATOM 0 HG21 VAL A 175 4.643 1.666 -10.549 1.00 8.33 H new ATOM 0 HG22 VAL A 175 3.657 0.745 -9.389 1.00 8.33 H new ATOM 0 HG23 VAL A 175 3.935 2.484 -9.136 1.00 8.33 H new ATOM 321 N ALA A 176 5.642 2.410 -5.225 1.00 7.10 N ATOM 322 CA ALA A 176 5.734 3.632 -4.447 1.00 7.14 C ATOM 323 C ALA A 176 6.695 3.462 -3.284 1.00 7.24 C ATOM 324 O ALA A 176 6.693 2.430 -2.615 1.00 6.92 O ATOM 325 CB ALA A 176 4.360 4.039 -3.936 1.00 6.59 C ATOM 0 H ALA A 176 5.816 1.557 -4.694 1.00 7.10 H new ATOM 0 HA ALA A 176 6.117 4.419 -5.096 1.00 7.14 H new ATOM 0 HB1 ALA A 176 4.445 4.957 -3.354 1.00 6.59 H new ATOM 0 HB2 ALA A 176 3.692 4.206 -4.781 1.00 6.59 H new ATOM 0 HB3 ALA A 176 3.957 3.246 -3.306 1.00 6.59 H new ATOM 331 N PRO A 177 7.562 4.453 -3.057 1.00 7.75 N ATOM 332 CA PRO A 177 8.513 4.424 -1.954 1.00 7.96 C ATOM 333 C PRO A 177 7.888 4.891 -0.643 1.00 7.58 C ATOM 334 O PRO A 177 7.056 5.807 -0.614 1.00 7.42 O ATOM 335 CB PRO A 177 9.594 5.390 -2.421 1.00 8.76 C ATOM 336 CG PRO A 177 8.885 6.384 -3.268 1.00 8.86 C ATOM 337 CD PRO A 177 7.707 5.670 -3.883 1.00 8.23 C ATOM 0 HA PRO A 177 8.882 3.421 -1.740 1.00 7.96 H new ATOM 0 HB2 PRO A 177 10.085 5.871 -1.575 1.00 8.76 H new ATOM 0 HB3 PRO A 177 10.369 4.872 -2.986 1.00 8.76 H new ATOM 0 HG2 PRO A 177 8.554 7.234 -2.672 1.00 8.86 H new ATOM 0 HG3 PRO A 177 9.546 6.775 -4.041 1.00 8.86 H new ATOM 0 HD2 PRO A 177 6.807 6.284 -3.852 1.00 8.23 H new ATOM 0 HD3 PRO A 177 7.890 5.424 -4.929 1.00 8.23 H new ATOM 345 N ILE A 178 8.297 4.245 0.428 1.00 7.53 N ATOM 346 CA ILE A 178 7.811 4.540 1.761 1.00 7.29 C ATOM 347 C ILE A 178 8.470 5.798 2.312 1.00 7.90 C ATOM 348 O ILE A 178 9.696 5.902 2.333 1.00 8.45 O ATOM 349 CB ILE A 178 8.114 3.373 2.723 1.00 7.03 C ATOM 350 CG1 ILE A 178 7.851 2.031 2.044 1.00 6.56 C ATOM 351 CG2 ILE A 178 7.284 3.495 3.990 1.00 6.79 C ATOM 352 CD1 ILE A 178 8.662 0.900 2.632 1.00 6.69 C ATOM 0 H ILE A 178 8.984 3.492 0.398 1.00 7.53 H new ATOM 0 HA ILE A 178 6.734 4.690 1.688 1.00 7.29 H new ATOM 0 HB ILE A 178 9.169 3.422 2.993 1.00 7.03 H new ATOM 0 HG12 ILE A 178 6.791 1.791 2.126 1.00 6.56 H new ATOM 0 HG13 ILE A 178 8.077 2.118 0.981 1.00 6.56 H new ATOM 0 HG21 ILE A 178 7.512 2.663 4.656 1.00 6.79 H new ATOM 0 HG22 ILE A 178 7.519 4.435 4.490 1.00 6.79 H new ATOM 0 HG23 ILE A 178 6.225 3.475 3.734 1.00 6.79 H new ATOM 0 HD11 ILE A 178 8.430 -0.026 2.106 1.00 6.69 H new ATOM 0 HD12 ILE A 178 9.724 1.121 2.526 1.00 6.69 H new ATOM 0 HD13 ILE A 178 8.418 0.788 3.688 1.00 6.69 H new ATOM 364 N PRO A 179 7.666 6.783 2.731 1.00 7.89 N ATOM 365 CA PRO A 179 8.178 8.018 3.318 1.00 8.51 C ATOM 366 C PRO A 179 8.951 7.752 4.602 1.00 8.75 C ATOM 367 O PRO A 179 8.777 6.712 5.247 1.00 8.38 O ATOM 368 CB PRO A 179 6.919 8.828 3.627 1.00 8.36 C ATOM 369 CG PRO A 179 5.862 8.242 2.768 1.00 7.74 C ATOM 370 CD PRO A 179 6.199 6.788 2.635 1.00 7.36 C ATOM 0 HA PRO A 179 8.871 8.528 2.649 1.00 8.51 H new ATOM 0 HB2 PRO A 179 6.654 8.757 4.682 1.00 8.36 H new ATOM 0 HB3 PRO A 179 7.066 9.885 3.405 1.00 8.36 H new ATOM 0 HG2 PRO A 179 4.877 8.375 3.215 1.00 7.74 H new ATOM 0 HG3 PRO A 179 5.838 8.728 1.793 1.00 7.74 H new ATOM 0 HD2 PRO A 179 5.740 6.193 3.424 1.00 7.36 H new ATOM 0 HD3 PRO A 179 5.854 6.378 1.686 1.00 7.36 H new ATOM 378 N LYS A 180 9.767 8.714 4.987 1.00 9.42 N ATOM 379 CA LYS A 180 10.587 8.594 6.187 1.00 9.77 C ATOM 380 C LYS A 180 9.714 8.410 7.421 1.00 9.52 C ATOM 381 O LYS A 180 10.065 7.656 8.330 1.00 9.52 O ATOM 382 CB LYS A 180 11.482 9.826 6.357 1.00 10.55 C ATOM 383 CG LYS A 180 12.765 9.778 5.539 1.00 10.96 C ATOM 384 CD LYS A 180 12.508 10.022 4.060 1.00 11.55 C ATOM 385 CE LYS A 180 13.792 9.933 3.248 1.00 12.03 C ATOM 386 NZ LYS A 180 14.780 10.970 3.645 1.00 12.47 N1+ ATOM 0 H LYS A 180 9.883 9.595 4.486 1.00 9.42 H new ATOM 0 HA LYS A 180 11.221 7.714 6.074 1.00 9.77 H new ATOM 0 HB2 LYS A 180 10.917 10.714 6.075 1.00 10.55 H new ATOM 0 HB3 LYS A 180 11.739 9.933 7.411 1.00 10.55 H new ATOM 0 HG2 LYS A 180 13.462 10.527 5.914 1.00 10.96 H new ATOM 0 HG3 LYS A 180 13.241 8.806 5.669 1.00 10.96 H new ATOM 0 HD2 LYS A 180 11.790 9.290 3.689 1.00 11.55 H new ATOM 0 HD3 LYS A 180 12.059 11.006 3.925 1.00 11.55 H new ATOM 0 HE2 LYS A 180 14.233 8.945 3.377 1.00 12.03 H new ATOM 0 HE3 LYS A 180 13.559 10.042 2.189 1.00 12.03 H new ATOM 0 HZ1 LYS A 180 15.563 10.983 2.961 1.00 12.47 H new ATOM 0 HZ2 LYS A 180 14.318 11.902 3.661 1.00 12.47 H new ATOM 0 HZ3 LYS A 180 15.151 10.752 4.592 1.00 12.47 H new ATOM 400 N GLN A 181 8.565 9.084 7.426 1.00 9.38 N ATOM 401 CA GLN A 181 7.621 9.007 8.541 1.00 9.25 C ATOM 402 C GLN A 181 7.213 7.564 8.825 1.00 8.64 C ATOM 403 O GLN A 181 7.146 7.142 9.978 1.00 8.66 O ATOM 404 CB GLN A 181 6.367 9.830 8.242 1.00 9.25 C ATOM 405 CG GLN A 181 6.637 11.300 7.975 1.00 9.84 C ATOM 406 CD GLN A 181 5.365 12.088 7.738 1.00 9.79 C ATOM 407 OE1 GLN A 181 4.870 12.173 6.612 1.00 9.75 O ATOM 408 NE2 GLN A 181 4.832 12.675 8.796 1.00 9.99 N ATOM 0 H GLN A 181 8.264 9.693 6.666 1.00 9.38 H new ATOM 0 HA GLN A 181 8.124 9.411 9.419 1.00 9.25 H new ATOM 0 HB2 GLN A 181 5.863 9.402 7.376 1.00 9.25 H new ATOM 0 HB3 GLN A 181 5.681 9.745 9.085 1.00 9.25 H new ATOM 0 HG2 GLN A 181 7.173 11.728 8.822 1.00 9.84 H new ATOM 0 HG3 GLN A 181 7.287 11.395 7.105 1.00 9.84 H new ATOM 0 HE21 GLN A 181 5.275 12.579 9.710 1.00 9.99 H new ATOM 0 HE22 GLN A 181 3.978 13.224 8.698 1.00 9.99 H new ATOM 417 N LEU A 182 6.963 6.804 7.768 1.00 8.14 N ATOM 418 CA LEU A 182 6.539 5.419 7.912 1.00 7.55 C ATOM 419 C LEU A 182 7.731 4.480 8.085 1.00 7.61 C ATOM 420 O LEU A 182 7.616 3.438 8.725 1.00 7.33 O ATOM 421 CB LEU A 182 5.691 4.994 6.713 1.00 6.99 C ATOM 422 CG LEU A 182 4.286 5.606 6.660 1.00 6.82 C ATOM 423 CD1 LEU A 182 3.603 5.265 5.346 1.00 6.67 C ATOM 424 CD2 LEU A 182 3.451 5.115 7.833 1.00 6.66 C ATOM 0 H LEU A 182 7.046 7.123 6.803 1.00 8.14 H new ATOM 0 HA LEU A 182 5.932 5.350 8.815 1.00 7.55 H new ATOM 0 HB2 LEU A 182 6.222 5.262 5.799 1.00 6.99 H new ATOM 0 HB3 LEU A 182 5.597 3.908 6.721 1.00 6.99 H new ATOM 0 HG LEU A 182 4.380 6.690 6.728 1.00 6.82 H new ATOM 0 HD11 LEU A 182 2.607 5.708 5.328 1.00 6.67 H new ATOM 0 HD12 LEU A 182 4.191 5.659 4.517 1.00 6.67 H new ATOM 0 HD13 LEU A 182 3.520 4.182 5.249 1.00 6.67 H new ATOM 0 HD21 LEU A 182 2.456 5.558 7.782 1.00 6.66 H new ATOM 0 HD22 LEU A 182 3.367 4.029 7.791 1.00 6.66 H new ATOM 0 HD23 LEU A 182 3.930 5.406 8.768 1.00 6.66 H new ATOM 436 N LEU A 183 8.873 4.850 7.515 1.00 8.04 N ATOM 437 CA LEU A 183 10.083 4.036 7.630 1.00 8.24 C ATOM 438 C LEU A 183 10.545 3.972 9.085 1.00 8.55 C ATOM 439 O LEU A 183 11.101 2.968 9.536 1.00 8.54 O ATOM 440 CB LEU A 183 11.202 4.604 6.751 1.00 8.80 C ATOM 441 CG LEU A 183 11.052 4.355 5.248 1.00 8.62 C ATOM 442 CD1 LEU A 183 12.139 5.090 4.477 1.00 9.31 C ATOM 443 CD2 LEU A 183 11.106 2.864 4.946 1.00 8.25 C ATOM 0 H LEU A 183 8.989 5.705 6.970 1.00 8.04 H new ATOM 0 HA LEU A 183 9.849 3.028 7.288 1.00 8.24 H new ATOM 0 HB2 LEU A 183 11.261 5.679 6.919 1.00 8.80 H new ATOM 0 HB3 LEU A 183 12.150 4.177 7.079 1.00 8.80 H new ATOM 0 HG LEU A 183 10.082 4.737 4.931 1.00 8.62 H new ATOM 0 HD11 LEU A 183 12.018 4.903 3.410 1.00 9.31 H new ATOM 0 HD12 LEU A 183 12.061 6.160 4.669 1.00 9.31 H new ATOM 0 HD13 LEU A 183 13.118 4.734 4.799 1.00 9.31 H new ATOM 0 HD21 LEU A 183 10.998 2.706 3.873 1.00 8.25 H new ATOM 0 HD22 LEU A 183 12.063 2.460 5.278 1.00 8.25 H new ATOM 0 HD23 LEU A 183 10.296 2.357 5.471 1.00 8.25 H new ATOM 455 N GLN A 184 10.284 5.050 9.820 1.00 8.87 N ATOM 456 CA GLN A 184 10.651 5.141 11.231 1.00 9.25 C ATOM 457 C GLN A 184 9.750 4.262 12.097 1.00 8.85 C ATOM 458 O GLN A 184 9.942 4.162 13.308 1.00 9.14 O ATOM 459 CB GLN A 184 10.567 6.594 11.699 1.00 9.76 C ATOM 460 CG GLN A 184 11.761 7.438 11.282 1.00 10.33 C ATOM 461 CD GLN A 184 11.482 8.927 11.351 1.00 10.90 C ATOM 462 OE1 GLN A 184 11.042 9.536 10.376 1.00 11.17 O ATOM 463 NE2 GLN A 184 11.737 9.522 12.504 1.00 11.29 N ATOM 0 H GLN A 184 9.815 5.880 9.458 1.00 8.87 H new ATOM 0 HA GLN A 184 11.675 4.783 11.337 1.00 9.25 H new ATOM 0 HB2 GLN A 184 9.658 7.044 11.300 1.00 9.76 H new ATOM 0 HB3 GLN A 184 10.481 6.613 12.785 1.00 9.76 H new ATOM 0 HG2 GLN A 184 12.609 7.202 11.925 1.00 10.33 H new ATOM 0 HG3 GLN A 184 12.049 7.174 10.264 1.00 10.33 H new ATOM 0 HE21 GLN A 184 12.101 8.980 13.288 1.00 11.29 H new ATOM 0 HE22 GLN A 184 11.569 10.523 12.610 1.00 11.29 H new ATOM 472 N ARG A 185 8.760 3.636 11.477 1.00 8.24 N ATOM 473 CA ARG A 185 7.837 2.769 12.196 1.00 7.89 C ATOM 474 C ARG A 185 8.301 1.321 12.164 1.00 7.66 C ATOM 475 O ARG A 185 7.774 0.479 12.887 1.00 7.54 O ATOM 476 CB ARG A 185 6.435 2.853 11.601 1.00 7.40 C ATOM 477 CG ARG A 185 5.742 4.180 11.841 1.00 7.66 C ATOM 478 CD ARG A 185 4.268 4.098 11.476 1.00 7.53 C ATOM 479 NE ARG A 185 3.570 3.065 12.242 1.00 7.91 N ATOM 480 CZ ARG A 185 2.572 3.312 13.095 1.00 8.28 C ATOM 481 NH1 ARG A 185 2.156 4.555 13.303 1.00 8.35 N1+ ATOM 482 NH2 ARG A 185 1.998 2.309 13.750 1.00 8.81 N ATOM 0 H ARG A 185 8.575 3.712 10.477 1.00 8.24 H new ATOM 0 HA ARG A 185 7.814 3.114 13.230 1.00 7.89 H new ATOM 0 HB2 ARG A 185 6.496 2.675 10.527 1.00 7.40 H new ATOM 0 HB3 ARG A 185 5.824 2.054 12.022 1.00 7.40 H new ATOM 0 HG2 ARG A 185 5.846 4.465 12.888 1.00 7.66 H new ATOM 0 HG3 ARG A 185 6.224 4.958 11.250 1.00 7.66 H new ATOM 0 HD2 ARG A 185 3.796 5.064 11.656 1.00 7.53 H new ATOM 0 HD3 ARG A 185 4.169 3.888 10.411 1.00 7.53 H new ATOM 0 HE ARG A 185 3.864 2.096 12.117 1.00 7.91 H new ATOM 0 HH11 ARG A 185 2.599 5.330 12.810 1.00 8.35 H new ATOM 0 HH12 ARG A 185 1.393 4.735 13.956 1.00 8.35 H new ATOM 0 HH21 ARG A 185 2.319 1.352 13.601 1.00 8.81 H new ATOM 0 HH22 ARG A 185 1.236 2.495 14.402 1.00 8.81 H new ATOM 496 N ILE A 186 9.282 1.030 11.320 1.00 7.69 N ATOM 497 CA ILE A 186 9.791 -0.329 11.199 1.00 7.57 C ATOM 498 C ILE A 186 11.238 -0.411 11.679 1.00 8.20 C ATOM 499 O ILE A 186 12.165 -0.108 10.928 1.00 8.43 O ATOM 500 CB ILE A 186 9.721 -0.846 9.745 1.00 7.11 C ATOM 501 CG1 ILE A 186 8.461 -0.331 9.043 1.00 6.84 C ATOM 502 CG2 ILE A 186 9.750 -2.368 9.730 1.00 6.83 C ATOM 503 CD1 ILE A 186 8.455 -0.577 7.548 1.00 6.52 C ATOM 0 H ILE A 186 9.738 1.711 10.713 1.00 7.69 H new ATOM 0 HA ILE A 186 9.155 -0.956 11.824 1.00 7.57 H new ATOM 0 HB ILE A 186 10.589 -0.470 9.204 1.00 7.11 H new ATOM 0 HG12 ILE A 186 7.588 -0.810 9.485 1.00 6.84 H new ATOM 0 HG13 ILE A 186 8.365 0.739 9.227 1.00 6.84 H new ATOM 0 HG21 ILE A 186 9.700 -2.723 8.701 1.00 6.83 H new ATOM 0 HG22 ILE A 186 10.674 -2.719 10.190 1.00 6.83 H new ATOM 0 HG23 ILE A 186 8.897 -2.754 10.288 1.00 6.83 H new ATOM 0 HD11 ILE A 186 7.533 -0.186 7.119 1.00 6.52 H new ATOM 0 HD12 ILE A 186 9.309 -0.074 7.093 1.00 6.52 H new ATOM 0 HD13 ILE A 186 8.519 -1.648 7.355 1.00 6.52 H new ATOM 515 N PRO A 187 11.447 -0.775 12.952 1.00 8.55 N ATOM 516 CA PRO A 187 12.771 -0.916 13.537 1.00 9.18 C ATOM 517 C PRO A 187 13.275 -2.362 13.459 1.00 9.19 C ATOM 518 O PRO A 187 12.689 -3.185 12.754 1.00 8.73 O ATOM 519 CB PRO A 187 12.536 -0.495 14.993 1.00 9.56 C ATOM 520 CG PRO A 187 11.056 -0.604 15.235 1.00 9.11 C ATOM 521 CD PRO A 187 10.419 -1.062 13.949 1.00 8.45 C ATOM 0 HA PRO A 187 13.530 -0.325 13.024 1.00 9.18 H new ATOM 0 HB2 PRO A 187 13.089 -1.138 15.677 1.00 9.56 H new ATOM 0 HB3 PRO A 187 12.883 0.524 15.163 1.00 9.56 H new ATOM 0 HG2 PRO A 187 10.850 -1.312 16.038 1.00 9.11 H new ATOM 0 HG3 PRO A 187 10.646 0.358 15.545 1.00 9.11 H new ATOM 0 HD2 PRO A 187 10.170 -2.123 13.978 1.00 8.45 H new ATOM 0 HD3 PRO A 187 9.495 -0.523 13.742 1.00 8.45 H new ATOM 529 N ASN A 188 14.375 -2.645 14.165 1.00 9.77 N ATOM 530 CA ASN A 188 15.002 -3.983 14.221 1.00 9.94 C ATOM 531 C ASN A 188 15.722 -4.344 12.914 1.00 9.83 C ATOM 532 O ASN A 188 16.650 -5.157 12.911 1.00 9.99 O ATOM 533 CB ASN A 188 13.964 -5.064 14.559 1.00 9.66 C ATOM 534 CG ASN A 188 14.561 -6.458 14.581 1.00 9.91 C ATOM 535 OD1 ASN A 188 15.638 -6.678 15.138 1.00 10.35 O ATOM 536 ND2 ASN A 188 13.869 -7.404 13.967 1.00 9.83 N ATOM 0 H ASN A 188 14.866 -1.947 14.723 1.00 9.77 H new ATOM 0 HA ASN A 188 15.749 -3.943 15.014 1.00 9.94 H new ATOM 0 HB2 ASN A 188 13.522 -4.847 15.531 1.00 9.66 H new ATOM 0 HB3 ASN A 188 13.157 -5.030 13.827 1.00 9.66 H new ATOM 0 HD21 ASN A 188 14.223 -8.360 13.942 1.00 9.83 H new ATOM 0 HD22 ASN A 188 12.981 -7.177 13.519 1.00 9.83 H new ATOM 543 N ILE A 189 15.337 -3.704 11.824 1.00 9.66 N ATOM 544 CA ILE A 189 15.949 -3.964 10.529 1.00 9.64 C ATOM 545 C ILE A 189 15.990 -2.698 9.696 1.00 9.96 C ATOM 546 O ILE A 189 14.964 -2.054 9.474 1.00 9.97 O ATOM 547 CB ILE A 189 15.205 -5.063 9.727 1.00 9.24 C ATOM 548 CG1 ILE A 189 13.891 -5.467 10.405 1.00 9.23 C ATOM 549 CG2 ILE A 189 16.095 -6.281 9.542 1.00 9.06 C ATOM 550 CD1 ILE A 189 12.683 -4.703 9.906 1.00 9.09 C ATOM 0 H ILE A 189 14.601 -2.998 11.808 1.00 9.66 H new ATOM 0 HA ILE A 189 16.960 -4.317 10.734 1.00 9.64 H new ATOM 0 HB ILE A 189 14.962 -4.647 8.749 1.00 9.24 H new ATOM 0 HG12 ILE A 189 13.725 -6.533 10.248 1.00 9.23 H new ATOM 0 HG13 ILE A 189 13.986 -5.315 11.480 1.00 9.23 H new ATOM 0 HG21 ILE A 189 15.557 -7.042 8.977 1.00 9.06 H new ATOM 0 HG22 ILE A 189 16.995 -5.995 8.999 1.00 9.06 H new ATOM 0 HG23 ILE A 189 16.372 -6.681 10.517 1.00 9.06 H new ATOM 0 HD11 ILE A 189 11.793 -5.045 10.433 1.00 9.09 H new ATOM 0 HD12 ILE A 189 12.825 -3.638 10.088 1.00 9.09 H new ATOM 0 HD13 ILE A 189 12.560 -4.875 8.837 1.00 9.09 H new ATOM 562 N PRO A 190 17.183 -2.315 9.235 1.00 10.38 N ATOM 563 CA PRO A 190 17.360 -1.125 8.409 1.00 10.85 C ATOM 564 C PRO A 190 16.861 -1.372 6.992 1.00 10.73 C ATOM 565 O PRO A 190 17.288 -2.319 6.332 1.00 11.03 O ATOM 566 CB PRO A 190 18.874 -0.917 8.409 1.00 11.43 C ATOM 567 CG PRO A 190 19.441 -2.275 8.613 1.00 11.22 C ATOM 568 CD PRO A 190 18.459 -3.012 9.482 1.00 10.57 C ATOM 0 HA PRO A 190 16.806 -0.264 8.782 1.00 10.85 H new ATOM 0 HB2 PRO A 190 19.214 -0.483 7.469 1.00 11.43 H new ATOM 0 HB3 PRO A 190 19.180 -0.236 9.203 1.00 11.43 H new ATOM 0 HG2 PRO A 190 19.579 -2.787 7.660 1.00 11.22 H new ATOM 0 HG3 PRO A 190 20.419 -2.221 9.090 1.00 11.22 H new ATOM 0 HD2 PRO A 190 18.398 -4.066 9.212 1.00 10.57 H new ATOM 0 HD3 PRO A 190 18.743 -2.968 10.534 1.00 10.57 H new ATOM 576 N PRO A 191 15.922 -0.550 6.520 1.00 10.37 N ATOM 577 CA PRO A 191 15.372 -0.688 5.169 1.00 10.30 C ATOM 578 C PRO A 191 16.445 -0.505 4.082 1.00 10.68 C ATOM 579 O PRO A 191 16.484 -1.254 3.103 1.00 10.94 O ATOM 580 CB PRO A 191 14.326 0.430 5.096 1.00 9.89 C ATOM 581 CG PRO A 191 14.677 1.383 6.190 1.00 9.82 C ATOM 582 CD PRO A 191 15.309 0.560 7.269 1.00 10.13 C ATOM 0 HA PRO A 191 14.960 -1.682 4.992 1.00 10.30 H new ATOM 0 HB2 PRO A 191 14.348 0.924 4.125 1.00 9.89 H new ATOM 0 HB3 PRO A 191 13.319 0.034 5.230 1.00 9.89 H new ATOM 0 HG2 PRO A 191 15.363 2.151 5.833 1.00 9.82 H new ATOM 0 HG3 PRO A 191 13.789 1.896 6.560 1.00 9.82 H new ATOM 0 HD2 PRO A 191 16.052 1.129 7.828 1.00 10.13 H new ATOM 0 HD3 PRO A 191 14.572 0.203 7.989 1.00 10.13 H new ATOM 590 N ASN A 192 17.309 0.497 4.287 1.00 10.83 N ATOM 591 CA ASN A 192 18.408 0.849 3.368 1.00 11.33 C ATOM 592 C ASN A 192 17.878 1.405 2.053 1.00 11.24 C ATOM 593 O ASN A 192 18.645 1.726 1.142 1.00 11.75 O ATOM 594 CB ASN A 192 19.301 -0.374 3.088 1.00 11.90 C ATOM 595 CG ASN A 192 20.133 -0.785 4.290 1.00 12.46 C ATOM 596 OD1 ASN A 192 19.773 -0.512 5.433 1.00 12.68 O ATOM 597 ND2 ASN A 192 21.257 -1.443 4.045 1.00 12.84 N ATOM 0 H ASN A 192 17.266 1.099 5.110 1.00 10.83 H new ATOM 0 HA ASN A 192 19.002 1.622 3.857 1.00 11.33 H new ATOM 0 HB2 ASN A 192 18.675 -1.212 2.782 1.00 11.90 H new ATOM 0 HB3 ASN A 192 19.964 -0.150 2.253 1.00 11.90 H new ATOM 0 HD21 ASN A 192 21.853 -1.739 4.818 1.00 12.84 H new ATOM 0 HD22 ASN A 192 21.526 -1.653 3.084 1.00 12.84 H new ATOM 604 N ILE A 193 16.579 1.602 2.001 1.00 10.63 N ATOM 605 CA ILE A 193 15.914 2.147 0.829 1.00 10.51 C ATOM 606 C ILE A 193 14.518 2.588 1.206 1.00 9.90 C ATOM 607 O ILE A 193 14.159 2.613 2.389 1.00 9.52 O ATOM 608 CB ILE A 193 15.825 1.153 -0.357 1.00 10.37 C ATOM 609 CG1 ILE A 193 15.983 -0.292 0.107 1.00 10.58 C ATOM 610 CG2 ILE A 193 16.859 1.487 -1.416 1.00 10.81 C ATOM 611 CD1 ILE A 193 14.674 -0.952 0.453 1.00 10.26 C ATOM 0 H ILE A 193 15.947 1.389 2.773 1.00 10.63 H new ATOM 0 HA ILE A 193 16.521 2.987 0.492 1.00 10.51 H new ATOM 0 HB ILE A 193 14.832 1.254 -0.795 1.00 10.37 H new ATOM 0 HG12 ILE A 193 16.476 -0.867 -0.677 1.00 10.58 H new ATOM 0 HG13 ILE A 193 16.637 -0.317 0.979 1.00 10.58 H new ATOM 0 HG21 ILE A 193 16.779 0.777 -2.239 1.00 10.81 H new ATOM 0 HG22 ILE A 193 16.685 2.496 -1.789 1.00 10.81 H new ATOM 0 HG23 ILE A 193 17.857 1.428 -0.982 1.00 10.81 H new ATOM 0 HD11 ILE A 193 14.857 -1.977 0.775 1.00 10.26 H new ATOM 0 HD12 ILE A 193 14.190 -0.400 1.258 1.00 10.26 H new ATOM 0 HD13 ILE A 193 14.026 -0.958 -0.424 1.00 10.26 H new ATOM 623 N ASN A 194 13.737 2.932 0.205 1.00 9.87 N ATOM 624 CA ASN A 194 12.372 3.360 0.433 1.00 9.35 C ATOM 625 C ASN A 194 11.400 2.734 -0.571 1.00 8.86 C ATOM 626 O ASN A 194 10.210 2.654 -0.301 1.00 8.57 O ATOM 627 CB ASN A 194 12.288 4.893 0.419 1.00 9.78 C ATOM 628 CG ASN A 194 12.664 5.516 -0.913 1.00 10.10 C ATOM 629 OD1 ASN A 194 13.322 4.897 -1.751 1.00 10.43 O ATOM 630 ND2 ASN A 194 12.259 6.760 -1.110 1.00 10.17 N ATOM 0 H ASN A 194 14.023 2.924 -0.774 1.00 9.87 H new ATOM 0 HA ASN A 194 12.069 3.007 1.419 1.00 9.35 H new ATOM 0 HB2 ASN A 194 11.273 5.194 0.676 1.00 9.78 H new ATOM 0 HB3 ASN A 194 12.944 5.290 1.193 1.00 9.78 H new ATOM 0 HD21 ASN A 194 12.490 7.240 -1.980 1.00 10.17 H new ATOM 0 HD22 ASN A 194 11.716 7.239 -0.392 1.00 10.17 H new ATOM 637 N THR A 195 11.892 2.237 -1.701 1.00 8.88 N ATOM 638 CA THR A 195 11.011 1.640 -2.699 1.00 8.49 C ATOM 639 C THR A 195 10.514 0.273 -2.235 1.00 7.92 C ATOM 640 O THR A 195 11.314 -0.575 -1.852 1.00 8.08 O ATOM 641 CB THR A 195 11.755 1.485 -4.035 1.00 9.05 C ATOM 642 OG1 THR A 195 13.168 1.597 -3.807 1.00 9.80 O ATOM 643 CG2 THR A 195 11.303 2.537 -5.036 1.00 8.98 C ATOM 0 H THR A 195 12.882 2.235 -1.947 1.00 8.88 H new ATOM 0 HA THR A 195 10.154 2.300 -2.833 1.00 8.49 H new ATOM 0 HB THR A 195 11.526 0.504 -4.452 1.00 9.05 H new ATOM 0 HG1 THR A 195 13.649 1.036 -4.451 1.00 9.80 H new ATOM 0 HG21 THR A 195 11.845 2.405 -5.972 1.00 8.98 H new ATOM 0 HG22 THR A 195 10.233 2.431 -5.218 1.00 8.98 H new ATOM 0 HG23 THR A 195 11.506 3.531 -4.636 1.00 8.98 H new ATOM 651 N TRP A 196 9.204 0.039 -2.360 1.00 7.29 N ATOM 652 CA TRP A 196 8.581 -1.210 -1.900 1.00 6.73 C ATOM 653 C TRP A 196 9.163 -2.449 -2.572 1.00 7.00 C ATOM 654 O TRP A 196 9.388 -3.462 -1.910 1.00 6.84 O ATOM 655 CB TRP A 196 7.064 -1.164 -2.106 1.00 6.14 C ATOM 656 CG TRP A 196 6.312 -0.711 -0.886 1.00 5.65 C ATOM 657 CD1 TRP A 196 5.503 0.384 -0.776 1.00 5.54 C ATOM 658 CD2 TRP A 196 6.295 -1.349 0.401 1.00 5.33 C ATOM 659 NE1 TRP A 196 4.990 0.469 0.497 1.00 5.20 N ATOM 660 CE2 TRP A 196 5.460 -0.580 1.238 1.00 5.06 C ATOM 661 CE3 TRP A 196 6.909 -2.488 0.931 1.00 5.33 C ATOM 662 CZ2 TRP A 196 5.224 -0.917 2.568 1.00 4.84 C ATOM 663 CZ3 TRP A 196 6.669 -2.823 2.252 1.00 5.05 C ATOM 664 CH2 TRP A 196 5.833 -2.037 3.056 1.00 4.82 C ATOM 0 H TRP A 196 8.550 0.701 -2.778 1.00 7.29 H new ATOM 0 HA TRP A 196 8.803 -1.291 -0.836 1.00 6.73 H new ATOM 0 HB2 TRP A 196 6.837 -0.493 -2.934 1.00 6.14 H new ATOM 0 HB3 TRP A 196 6.713 -2.155 -2.393 1.00 6.14 H new ATOM 0 HD1 TRP A 196 5.296 1.082 -1.574 1.00 5.54 H new ATOM 0 HE1 TRP A 196 4.360 1.197 0.834 1.00 5.20 H new ATOM 0 HE3 TRP A 196 7.560 -3.096 0.320 1.00 5.33 H new ATOM 0 HZ2 TRP A 196 4.582 -0.313 3.192 1.00 4.84 H new ATOM 0 HZ3 TRP A 196 7.133 -3.704 2.670 1.00 5.05 H new ATOM 0 HH2 TRP A 196 5.667 -2.323 4.084 1.00 4.82 H new ATOM 675 N GLN A 197 9.416 -2.364 -3.869 1.00 7.47 N ATOM 676 CA GLN A 197 9.964 -3.495 -4.614 1.00 7.85 C ATOM 677 C GLN A 197 11.313 -3.927 -4.041 1.00 8.27 C ATOM 678 O GLN A 197 11.678 -5.103 -4.096 1.00 8.37 O ATOM 679 CB GLN A 197 10.128 -3.141 -6.092 1.00 8.38 C ATOM 680 CG GLN A 197 8.916 -2.458 -6.706 1.00 8.33 C ATOM 681 CD GLN A 197 9.032 -0.945 -6.674 1.00 8.43 C ATOM 682 OE1 GLN A 197 8.636 -0.301 -5.703 1.00 8.59 O ATOM 683 NE2 GLN A 197 9.584 -0.372 -7.732 1.00 8.60 N ATOM 0 H GLN A 197 9.252 -1.528 -4.429 1.00 7.47 H new ATOM 0 HA GLN A 197 9.260 -4.322 -4.520 1.00 7.85 H new ATOM 0 HB2 GLN A 197 10.994 -2.489 -6.204 1.00 8.38 H new ATOM 0 HB3 GLN A 197 10.340 -4.052 -6.651 1.00 8.38 H new ATOM 0 HG2 GLN A 197 8.798 -2.790 -7.738 1.00 8.33 H new ATOM 0 HG3 GLN A 197 8.018 -2.763 -6.168 1.00 8.33 H new ATOM 0 HE21 GLN A 197 9.899 -0.944 -8.516 1.00 8.60 H new ATOM 0 HE22 GLN A 197 9.695 0.641 -7.763 1.00 8.60 H new ATOM 692 N GLN A 198 12.063 -2.962 -3.529 1.00 8.57 N ATOM 693 CA GLN A 198 13.368 -3.230 -2.943 1.00 9.03 C ATOM 694 C GLN A 198 13.250 -3.542 -1.448 1.00 8.61 C ATOM 695 O GLN A 198 14.068 -4.277 -0.897 1.00 8.82 O ATOM 696 CB GLN A 198 14.304 -2.043 -3.175 1.00 9.66 C ATOM 697 CG GLN A 198 14.790 -1.921 -4.613 1.00 10.19 C ATOM 698 CD GLN A 198 15.751 -0.769 -4.797 1.00 10.85 C ATOM 699 OE1 GLN A 198 15.344 0.351 -5.110 1.00 11.11 O ATOM 700 NE2 GLN A 198 17.032 -1.033 -4.595 1.00 11.29 N ATOM 0 H GLN A 198 11.788 -1.980 -3.508 1.00 8.57 H new ATOM 0 HA GLN A 198 13.788 -4.109 -3.433 1.00 9.03 H new ATOM 0 HB2 GLN A 198 13.788 -1.124 -2.896 1.00 9.66 H new ATOM 0 HB3 GLN A 198 15.167 -2.137 -2.516 1.00 9.66 H new ATOM 0 HG2 GLN A 198 15.278 -2.849 -4.909 1.00 10.19 H new ATOM 0 HG3 GLN A 198 13.934 -1.786 -5.274 1.00 10.19 H new ATOM 0 HE21 GLN A 198 17.324 -1.976 -4.337 1.00 11.29 H new ATOM 0 HE22 GLN A 198 17.727 -0.294 -4.697 1.00 11.29 H new ATOM 709 N VAL A 199 12.230 -2.979 -0.795 1.00 8.07 N ATOM 710 CA VAL A 199 12.019 -3.189 0.640 1.00 7.70 C ATOM 711 C VAL A 199 11.756 -4.669 0.942 1.00 7.32 C ATOM 712 O VAL A 199 12.155 -5.184 1.986 1.00 7.31 O ATOM 713 CB VAL A 199 10.839 -2.334 1.179 1.00 7.25 C ATOM 714 CG1 VAL A 199 10.590 -2.626 2.651 1.00 7.19 C ATOM 715 CG2 VAL A 199 11.100 -0.843 0.976 1.00 7.41 C ATOM 0 H VAL A 199 11.537 -2.374 -1.237 1.00 8.07 H new ATOM 0 HA VAL A 199 12.932 -2.874 1.145 1.00 7.70 H new ATOM 0 HB VAL A 199 9.948 -2.606 0.612 1.00 7.25 H new ATOM 0 HG11 VAL A 199 9.760 -2.016 3.007 1.00 7.19 H new ATOM 0 HG12 VAL A 199 10.346 -3.681 2.776 1.00 7.19 H new ATOM 0 HG13 VAL A 199 11.486 -2.390 3.225 1.00 7.19 H new ATOM 0 HG21 VAL A 199 10.257 -0.270 1.363 1.00 7.41 H new ATOM 0 HG22 VAL A 199 12.008 -0.557 1.507 1.00 7.41 H new ATOM 0 HG23 VAL A 199 11.222 -0.636 -0.087 1.00 7.41 H new ATOM 725 N THR A 200 11.121 -5.354 0.000 1.00 7.10 N ATOM 726 CA THR A 200 10.794 -6.765 0.161 1.00 6.83 C ATOM 727 C THR A 200 12.044 -7.642 0.276 1.00 7.39 C ATOM 728 O THR A 200 11.977 -8.768 0.779 1.00 7.30 O ATOM 729 CB THR A 200 9.921 -7.250 -1.007 1.00 6.60 C ATOM 730 OG1 THR A 200 10.144 -6.417 -2.151 1.00 6.76 O ATOM 731 CG2 THR A 200 8.450 -7.206 -0.626 1.00 6.11 C ATOM 0 H THR A 200 10.821 -4.953 -0.888 1.00 7.10 H new ATOM 0 HA THR A 200 10.239 -6.859 1.095 1.00 6.83 H new ATOM 0 HB THR A 200 10.192 -8.279 -1.243 1.00 6.60 H new ATOM 0 HG1 THR A 200 11.105 -6.364 -2.334 1.00 6.76 H new ATOM 0 HG21 THR A 200 7.846 -7.553 -1.465 1.00 6.11 H new ATOM 0 HG22 THR A 200 8.278 -7.851 0.236 1.00 6.11 H new ATOM 0 HG23 THR A 200 8.169 -6.183 -0.376 1.00 6.11 H new ATOM 739 N ALA A 201 13.184 -7.120 -0.172 1.00 8.02 N ATOM 740 CA ALA A 201 14.444 -7.859 -0.121 1.00 8.63 C ATOM 741 C ALA A 201 14.829 -8.206 1.312 1.00 8.64 C ATOM 742 O ALA A 201 15.511 -9.200 1.551 1.00 8.93 O ATOM 743 CB ALA A 201 15.557 -7.066 -0.787 1.00 9.32 C ATOM 0 H ALA A 201 13.261 -6.186 -0.575 1.00 8.02 H new ATOM 0 HA ALA A 201 14.301 -8.792 -0.666 1.00 8.63 H new ATOM 0 HB1 ALA A 201 16.487 -7.633 -0.739 1.00 9.32 H new ATOM 0 HB2 ALA A 201 15.298 -6.881 -1.830 1.00 9.32 H new ATOM 0 HB3 ALA A 201 15.685 -6.115 -0.271 1.00 9.32 H new ATOM 749 N LEU A 202 14.375 -7.395 2.262 1.00 8.38 N ATOM 750 CA LEU A 202 14.664 -7.623 3.672 1.00 8.45 C ATOM 751 C LEU A 202 14.148 -8.989 4.110 1.00 8.04 C ATOM 752 O LEU A 202 14.781 -9.684 4.910 1.00 8.27 O ATOM 753 CB LEU A 202 14.034 -6.520 4.528 1.00 8.32 C ATOM 754 CG LEU A 202 14.895 -5.269 4.720 1.00 8.50 C ATOM 755 CD1 LEU A 202 14.937 -4.428 3.450 1.00 8.35 C ATOM 756 CD2 LEU A 202 14.378 -4.447 5.891 1.00 9.03 C ATOM 0 H LEU A 202 13.803 -6.571 2.079 1.00 8.38 H new ATOM 0 HA LEU A 202 15.745 -7.601 3.810 1.00 8.45 H new ATOM 0 HB2 LEU A 202 13.089 -6.224 4.072 1.00 8.32 H new ATOM 0 HB3 LEU A 202 13.799 -6.933 5.509 1.00 8.32 H new ATOM 0 HG LEU A 202 15.913 -5.589 4.940 1.00 8.50 H new ATOM 0 HD11 LEU A 202 15.556 -3.547 3.618 1.00 8.35 H new ATOM 0 HD12 LEU A 202 15.359 -5.018 2.637 1.00 8.35 H new ATOM 0 HD13 LEU A 202 13.926 -4.117 3.186 1.00 8.35 H new ATOM 0 HD21 LEU A 202 15.000 -3.560 6.016 1.00 9.03 H new ATOM 0 HD22 LEU A 202 13.349 -4.144 5.697 1.00 9.03 H new ATOM 0 HD23 LEU A 202 14.414 -5.047 6.801 1.00 9.03 H new ATOM 768 N ALA A 203 13.006 -9.376 3.565 1.00 7.51 N ATOM 769 CA ALA A 203 12.400 -10.658 3.887 1.00 7.19 C ATOM 770 C ALA A 203 13.079 -11.783 3.117 1.00 7.64 C ATOM 771 O ALA A 203 13.221 -12.898 3.619 1.00 7.71 O ATOM 772 CB ALA A 203 10.909 -10.627 3.584 1.00 6.60 C ATOM 0 H ALA A 203 12.478 -8.818 2.894 1.00 7.51 H new ATOM 0 HA ALA A 203 12.535 -10.846 4.952 1.00 7.19 H new ATOM 0 HB1 ALA A 203 10.468 -11.593 3.830 1.00 6.60 H new ATOM 0 HB2 ALA A 203 10.433 -9.848 4.180 1.00 6.60 H new ATOM 0 HB3 ALA A 203 10.757 -10.417 2.525 1.00 6.60 H new ATOM 778 N GLN A 204 13.514 -11.474 1.902 1.00 8.03 N ATOM 779 CA GLN A 204 14.175 -12.453 1.047 1.00 8.56 C ATOM 780 C GLN A 204 15.572 -12.791 1.564 1.00 9.11 C ATOM 781 O GLN A 204 16.060 -13.906 1.375 1.00 9.51 O ATOM 782 CB GLN A 204 14.266 -11.935 -0.389 1.00 8.89 C ATOM 783 CG GLN A 204 12.913 -11.648 -1.026 1.00 8.56 C ATOM 784 CD GLN A 204 12.889 -11.962 -2.508 1.00 8.93 C ATOM 785 OE1 GLN A 204 13.568 -12.877 -2.968 1.00 9.22 O ATOM 786 NE2 GLN A 204 12.113 -11.205 -3.266 1.00 9.16 N ATOM 0 H GLN A 204 13.420 -10.548 1.484 1.00 8.03 H new ATOM 0 HA GLN A 204 13.575 -13.363 1.063 1.00 8.56 H new ATOM 0 HB2 GLN A 204 14.863 -11.023 -0.399 1.00 8.89 H new ATOM 0 HB3 GLN A 204 14.795 -12.669 -0.997 1.00 8.89 H new ATOM 0 HG2 GLN A 204 12.146 -12.235 -0.521 1.00 8.56 H new ATOM 0 HG3 GLN A 204 12.660 -10.598 -0.877 1.00 8.56 H new ATOM 0 HE21 GLN A 204 11.565 -10.455 -2.845 1.00 9.16 H new ATOM 0 HE22 GLN A 204 12.063 -11.371 -4.271 1.00 9.16 H new ATOM 795 N GLN A 205 16.214 -11.827 2.214 1.00 9.17 N ATOM 796 CA GLN A 205 17.553 -12.035 2.755 1.00 9.72 C ATOM 797 C GLN A 205 17.486 -12.606 4.168 1.00 9.52 C ATOM 798 O GLN A 205 18.498 -12.673 4.866 1.00 9.93 O ATOM 799 CB GLN A 205 18.343 -10.726 2.755 1.00 10.00 C ATOM 800 CG GLN A 205 18.539 -10.134 1.367 1.00 10.36 C ATOM 801 CD GLN A 205 19.446 -8.920 1.371 1.00 10.95 C ATOM 802 OE1 GLN A 205 19.550 -8.209 2.368 1.00 11.13 O ATOM 803 NE2 GLN A 205 20.108 -8.672 0.253 1.00 11.44 N ATOM 0 H GLN A 205 15.831 -10.896 2.379 1.00 9.17 H new ATOM 0 HA GLN A 205 18.065 -12.754 2.115 1.00 9.72 H new ATOM 0 HB2 GLN A 205 17.826 -9.999 3.381 1.00 10.00 H new ATOM 0 HB3 GLN A 205 19.319 -10.900 3.208 1.00 10.00 H new ATOM 0 HG2 GLN A 205 18.959 -10.894 0.708 1.00 10.36 H new ATOM 0 HG3 GLN A 205 17.569 -9.856 0.955 1.00 10.36 H new ATOM 0 HE21 GLN A 205 19.995 -9.286 -0.554 1.00 11.44 H new ATOM 0 HE22 GLN A 205 20.732 -7.867 0.197 1.00 11.44 H new ATOM 812 N LYS A 206 16.282 -13.003 4.583 1.00 8.93 N ATOM 813 CA LYS A 206 16.050 -13.590 5.906 1.00 8.75 C ATOM 814 C LYS A 206 16.422 -12.628 7.036 1.00 8.72 C ATOM 815 O LYS A 206 16.784 -13.054 8.137 1.00 8.89 O ATOM 816 CB LYS A 206 16.825 -14.904 6.047 1.00 9.26 C ATOM 817 CG LYS A 206 16.338 -15.998 5.110 1.00 9.36 C ATOM 818 CD LYS A 206 17.365 -17.108 4.967 1.00 9.64 C ATOM 819 CE LYS A 206 16.792 -18.307 4.228 1.00 9.95 C ATOM 820 NZ LYS A 206 15.644 -18.906 4.959 1.00 10.29 N1+ ATOM 0 H LYS A 206 15.440 -12.927 4.013 1.00 8.93 H new ATOM 0 HA LYS A 206 14.982 -13.792 5.991 1.00 8.75 H new ATOM 0 HB2 LYS A 206 17.881 -14.716 5.855 1.00 9.26 H new ATOM 0 HB3 LYS A 206 16.745 -15.255 7.076 1.00 9.26 H new ATOM 0 HG2 LYS A 206 15.403 -16.412 5.488 1.00 9.36 H new ATOM 0 HG3 LYS A 206 16.124 -15.571 4.130 1.00 9.36 H new ATOM 0 HD2 LYS A 206 18.236 -16.732 4.431 1.00 9.64 H new ATOM 0 HD3 LYS A 206 17.707 -17.418 5.954 1.00 9.64 H new ATOM 0 HE2 LYS A 206 16.470 -18.001 3.233 1.00 9.95 H new ATOM 0 HE3 LYS A 206 17.570 -19.058 4.094 1.00 9.95 H new ATOM 0 HZ1 LYS A 206 15.517 -19.893 4.657 1.00 10.29 H new ATOM 0 HZ2 LYS A 206 15.831 -18.878 5.982 1.00 10.29 H new ATOM 0 HZ3 LYS A 206 14.780 -18.366 4.750 1.00 10.29 H new ATOM 834 N LEU A 207 16.322 -11.334 6.765 1.00 8.58 N ATOM 835 CA LEU A 207 16.636 -10.323 7.766 1.00 8.66 C ATOM 836 C LEU A 207 15.375 -9.954 8.535 1.00 8.06 C ATOM 837 O LEU A 207 15.429 -9.618 9.716 1.00 8.10 O ATOM 838 CB LEU A 207 17.227 -9.073 7.110 1.00 9.02 C ATOM 839 CG LEU A 207 18.518 -9.289 6.317 1.00 9.66 C ATOM 840 CD1 LEU A 207 18.974 -7.984 5.684 1.00 9.96 C ATOM 841 CD2 LEU A 207 19.613 -9.856 7.209 1.00 10.21 C ATOM 0 H LEU A 207 16.027 -10.960 5.863 1.00 8.58 H new ATOM 0 HA LEU A 207 17.376 -10.734 8.453 1.00 8.66 H new ATOM 0 HB2 LEU A 207 16.479 -8.647 6.442 1.00 9.02 H new ATOM 0 HB3 LEU A 207 17.419 -8.333 7.887 1.00 9.02 H new ATOM 0 HG LEU A 207 18.316 -10.010 5.525 1.00 9.66 H new ATOM 0 HD11 LEU A 207 19.893 -8.153 5.123 1.00 9.96 H new ATOM 0 HD12 LEU A 207 18.200 -7.617 5.010 1.00 9.96 H new ATOM 0 HD13 LEU A 207 19.156 -7.245 6.464 1.00 9.96 H new ATOM 0 HD21 LEU A 207 20.521 -10.001 6.623 1.00 10.21 H new ATOM 0 HD22 LEU A 207 19.814 -9.161 8.024 1.00 10.21 H new ATOM 0 HD23 LEU A 207 19.289 -10.813 7.619 1.00 10.21 H new ATOM 853 N LEU A 208 14.249 -10.017 7.839 1.00 7.59 N ATOM 854 CA LEU A 208 12.952 -9.700 8.414 1.00 7.05 C ATOM 855 C LEU A 208 12.301 -10.966 8.950 1.00 6.95 C ATOM 856 O LEU A 208 11.981 -11.880 8.189 1.00 6.96 O ATOM 857 CB LEU A 208 12.076 -9.060 7.338 1.00 6.63 C ATOM 858 CG LEU A 208 10.903 -8.232 7.845 1.00 6.34 C ATOM 859 CD1 LEU A 208 10.819 -6.922 7.080 1.00 6.60 C ATOM 860 CD2 LEU A 208 9.610 -9.015 7.705 1.00 5.96 C ATOM 0 H LEU A 208 14.210 -10.290 6.857 1.00 7.59 H new ATOM 0 HA LEU A 208 13.073 -9.001 9.241 1.00 7.05 H new ATOM 0 HB2 LEU A 208 12.705 -8.423 6.716 1.00 6.63 H new ATOM 0 HB3 LEU A 208 11.688 -9.850 6.695 1.00 6.63 H new ATOM 0 HG LEU A 208 11.058 -8.008 8.900 1.00 6.34 H new ATOM 0 HD11 LEU A 208 9.977 -6.338 7.451 1.00 6.60 H new ATOM 0 HD12 LEU A 208 11.741 -6.359 7.221 1.00 6.60 H new ATOM 0 HD13 LEU A 208 10.678 -7.129 6.019 1.00 6.60 H new ATOM 0 HD21 LEU A 208 8.778 -8.413 8.071 1.00 5.96 H new ATOM 0 HD22 LEU A 208 9.446 -9.262 6.656 1.00 5.96 H new ATOM 0 HD23 LEU A 208 9.676 -9.934 8.288 1.00 5.96 H new ATOM 872 N THR A 209 12.120 -11.023 10.260 1.00 6.97 N ATOM 873 CA THR A 209 11.511 -12.182 10.891 1.00 7.00 C ATOM 874 C THR A 209 9.991 -12.123 10.750 1.00 6.57 C ATOM 875 O THR A 209 9.430 -11.048 10.519 1.00 6.24 O ATOM 876 CB THR A 209 11.886 -12.271 12.391 1.00 7.40 C ATOM 877 OG1 THR A 209 11.178 -11.277 13.146 1.00 7.39 O ATOM 878 CG2 THR A 209 13.383 -12.083 12.592 1.00 7.89 C ATOM 0 H THR A 209 12.386 -10.280 10.906 1.00 6.97 H new ATOM 0 HA THR A 209 11.892 -13.070 10.387 1.00 7.00 H new ATOM 0 HB THR A 209 11.604 -13.263 12.743 1.00 7.40 H new ATOM 0 HG1 THR A 209 11.175 -10.431 12.651 1.00 7.39 H new ATOM 0 HG21 THR A 209 13.619 -12.150 13.654 1.00 7.89 H new ATOM 0 HG22 THR A 209 13.923 -12.860 12.051 1.00 7.89 H new ATOM 0 HG23 THR A 209 13.681 -11.104 12.215 1.00 7.89 H new ATOM 886 N PRO A 210 9.297 -13.273 10.869 1.00 6.66 N ATOM 887 CA PRO A 210 7.832 -13.333 10.776 1.00 6.45 C ATOM 888 C PRO A 210 7.147 -12.370 11.749 1.00 6.38 C ATOM 889 O PRO A 210 5.988 -12.002 11.564 1.00 6.16 O ATOM 890 CB PRO A 210 7.501 -14.790 11.130 1.00 6.85 C ATOM 891 CG PRO A 210 8.755 -15.373 11.687 1.00 7.16 C ATOM 892 CD PRO A 210 9.881 -14.610 11.062 1.00 7.08 C ATOM 0 HA PRO A 210 7.477 -13.037 9.789 1.00 6.45 H new ATOM 0 HB2 PRO A 210 6.691 -14.840 11.857 1.00 6.85 H new ATOM 0 HB3 PRO A 210 7.173 -15.341 10.249 1.00 6.85 H new ATOM 0 HG2 PRO A 210 8.778 -15.282 12.773 1.00 7.16 H new ATOM 0 HG3 PRO A 210 8.828 -16.435 11.454 1.00 7.16 H new ATOM 0 HD2 PRO A 210 10.758 -14.579 11.709 1.00 7.08 H new ATOM 0 HD3 PRO A 210 10.197 -15.054 10.118 1.00 7.08 H new ATOM 900 N GLN A 211 7.881 -11.955 12.777 1.00 6.66 N ATOM 901 CA GLN A 211 7.364 -11.024 13.768 1.00 6.77 C ATOM 902 C GLN A 211 7.279 -9.619 13.183 1.00 6.45 C ATOM 903 O GLN A 211 6.295 -8.909 13.390 1.00 6.38 O ATOM 904 CB GLN A 211 8.265 -11.008 15.003 1.00 7.30 C ATOM 905 CG GLN A 211 7.901 -12.044 16.054 1.00 7.72 C ATOM 906 CD GLN A 211 6.530 -11.811 16.658 1.00 8.30 C ATOM 907 OE1 GLN A 211 6.363 -10.973 17.545 1.00 8.70 O ATOM 908 NE2 GLN A 211 5.545 -12.565 16.201 1.00 8.61 N ATOM 0 H GLN A 211 8.842 -12.253 12.944 1.00 6.66 H new ATOM 0 HA GLN A 211 6.366 -11.352 14.057 1.00 6.77 H new ATOM 0 HB2 GLN A 211 9.296 -11.172 14.689 1.00 7.30 H new ATOM 0 HB3 GLN A 211 8.224 -10.017 15.456 1.00 7.30 H new ATOM 0 HG2 GLN A 211 7.931 -13.037 15.605 1.00 7.72 H new ATOM 0 HG3 GLN A 211 8.649 -12.030 16.846 1.00 7.72 H new ATOM 0 HE21 GLN A 211 5.725 -13.248 15.465 1.00 8.61 H new ATOM 0 HE22 GLN A 211 4.605 -12.464 16.584 1.00 8.61 H new ATOM 917 N ASP A 212 8.301 -9.231 12.422 1.00 6.37 N ATOM 918 CA ASP A 212 8.348 -7.904 11.818 1.00 6.18 C ATOM 919 C ASP A 212 7.373 -7.837 10.655 1.00 5.63 C ATOM 920 O ASP A 212 6.915 -6.765 10.261 1.00 5.44 O ATOM 921 CB ASP A 212 9.767 -7.579 11.334 1.00 6.44 C ATOM 922 CG ASP A 212 10.818 -7.745 12.416 1.00 7.03 C ATOM 923 OD1 ASP A 212 11.019 -6.808 13.221 1.00 7.38 O ATOM 924 OD2 ASP A 212 11.452 -8.823 12.470 1.00 7.34 O1- ATOM 0 H ASP A 212 9.107 -9.818 12.210 1.00 6.37 H new ATOM 0 HA ASP A 212 8.065 -7.167 12.570 1.00 6.18 H new ATOM 0 HB2 ASP A 212 10.015 -8.227 10.493 1.00 6.44 H new ATOM 0 HB3 ASP A 212 9.793 -6.554 10.965 1.00 6.44 H new ATOM 929 N MET A 213 7.052 -9.007 10.120 1.00 5.47 N ATOM 930 CA MET A 213 6.134 -9.131 8.999 1.00 5.06 C ATOM 931 C MET A 213 4.770 -8.531 9.321 1.00 4.94 C ATOM 932 O MET A 213 4.086 -8.018 8.437 1.00 4.64 O ATOM 933 CB MET A 213 5.969 -10.604 8.630 1.00 5.15 C ATOM 934 CG MET A 213 6.417 -10.930 7.221 1.00 5.33 C ATOM 935 SD MET A 213 5.328 -10.219 5.969 1.00 5.56 S ATOM 936 CE MET A 213 6.226 -10.630 4.476 1.00 5.57 C ATOM 0 H MET A 213 7.422 -9.898 10.452 1.00 5.47 H new ATOM 0 HA MET A 213 6.556 -8.580 8.158 1.00 5.06 H new ATOM 0 HB2 MET A 213 6.538 -11.212 9.333 1.00 5.15 H new ATOM 0 HB3 MET A 213 4.921 -10.883 8.743 1.00 5.15 H new ATOM 0 HG2 MET A 213 7.431 -10.558 7.070 1.00 5.33 H new ATOM 0 HG3 MET A 213 6.452 -12.012 7.095 1.00 5.33 H new ATOM 0 HE1 MET A 213 6.548 -9.714 3.981 1.00 5.57 H new ATOM 0 HE2 MET A 213 7.099 -11.231 4.730 1.00 5.57 H new ATOM 0 HE3 MET A 213 5.579 -11.196 3.806 1.00 5.57 H new ATOM 946 N GLU A 214 4.382 -8.595 10.585 1.00 5.29 N ATOM 947 CA GLU A 214 3.092 -8.072 11.017 1.00 5.44 C ATOM 948 C GLU A 214 3.154 -6.559 11.210 1.00 5.41 C ATOM 949 O GLU A 214 2.139 -5.869 11.132 1.00 5.42 O ATOM 950 CB GLU A 214 2.656 -8.756 12.313 1.00 6.00 C ATOM 951 CG GLU A 214 2.739 -10.276 12.258 1.00 6.18 C ATOM 952 CD GLU A 214 2.011 -10.862 11.063 1.00 6.23 C ATOM 953 OE1 GLU A 214 0.785 -11.080 11.151 1.00 6.40 O1- ATOM 954 OE2 GLU A 214 2.661 -11.112 10.026 1.00 6.43 O ATOM 0 H GLU A 214 4.942 -9.005 11.333 1.00 5.29 H new ATOM 0 HA GLU A 214 2.358 -8.284 10.240 1.00 5.44 H new ATOM 0 HB2 GLU A 214 3.279 -8.396 13.132 1.00 6.00 H new ATOM 0 HB3 GLU A 214 1.631 -8.464 12.541 1.00 6.00 H new ATOM 0 HG2 GLU A 214 3.786 -10.577 12.223 1.00 6.18 H new ATOM 0 HG3 GLU A 214 2.318 -10.692 13.174 1.00 6.18 H new ATOM 961 N ALA A 215 4.357 -6.049 11.432 1.00 5.51 N ATOM 962 CA ALA A 215 4.561 -4.623 11.644 1.00 5.66 C ATOM 963 C ALA A 215 4.524 -3.861 10.325 1.00 5.27 C ATOM 964 O ALA A 215 3.972 -2.761 10.240 1.00 5.33 O ATOM 965 CB ALA A 215 5.880 -4.385 12.356 1.00 6.08 C ATOM 0 H ALA A 215 5.211 -6.605 11.470 1.00 5.51 H new ATOM 0 HA ALA A 215 3.749 -4.251 12.269 1.00 5.66 H new ATOM 0 HB1 ALA A 215 6.023 -3.315 12.510 1.00 6.08 H new ATOM 0 HB2 ALA A 215 5.869 -4.892 13.321 1.00 6.08 H new ATOM 0 HB3 ALA A 215 6.697 -4.777 11.750 1.00 6.08 H new ATOM 971 N ALA A 216 5.094 -4.464 9.291 1.00 4.95 N ATOM 972 CA ALA A 216 5.130 -3.851 7.970 1.00 4.66 C ATOM 973 C ALA A 216 3.733 -3.805 7.367 1.00 4.31 C ATOM 974 O ALA A 216 3.439 -2.976 6.504 1.00 4.17 O ATOM 975 CB ALA A 216 6.079 -4.615 7.062 1.00 4.61 C ATOM 0 H ALA A 216 5.539 -5.380 9.342 1.00 4.95 H new ATOM 0 HA ALA A 216 5.494 -2.828 8.069 1.00 4.66 H new ATOM 0 HB1 ALA A 216 6.097 -4.147 6.078 1.00 4.61 H new ATOM 0 HB2 ALA A 216 7.082 -4.600 7.489 1.00 4.61 H new ATOM 0 HB3 ALA A 216 5.740 -5.647 6.967 1.00 4.61 H new ATOM 981 N LYS A 217 2.870 -4.690 7.848 1.00 4.31 N ATOM 982 CA LYS A 217 1.497 -4.760 7.373 1.00 4.20 C ATOM 983 C LYS A 217 0.716 -3.512 7.776 1.00 4.42 C ATOM 984 O LYS A 217 -0.298 -3.177 7.159 1.00 4.34 O ATOM 985 CB LYS A 217 0.808 -6.018 7.907 1.00 4.47 C ATOM 986 CG LYS A 217 1.300 -7.301 7.257 1.00 4.63 C ATOM 987 CD LYS A 217 0.523 -8.516 7.746 1.00 5.07 C ATOM 988 CE LYS A 217 1.017 -9.796 7.090 1.00 5.46 C ATOM 989 NZ LYS A 217 2.377 -10.174 7.556 1.00 5.88 N1+ ATOM 0 H LYS A 217 3.100 -5.372 8.571 1.00 4.31 H new ATOM 0 HA LYS A 217 1.518 -4.811 6.284 1.00 4.20 H new ATOM 0 HB2 LYS A 217 0.968 -6.081 8.983 1.00 4.47 H new ATOM 0 HB3 LYS A 217 -0.267 -5.929 7.749 1.00 4.47 H new ATOM 0 HG2 LYS A 217 1.204 -7.220 6.174 1.00 4.63 H new ATOM 0 HG3 LYS A 217 2.360 -7.435 7.474 1.00 4.63 H new ATOM 0 HD2 LYS A 217 0.621 -8.600 8.828 1.00 5.07 H new ATOM 0 HD3 LYS A 217 -0.537 -8.382 7.531 1.00 5.07 H new ATOM 0 HE2 LYS A 217 0.321 -10.606 7.308 1.00 5.46 H new ATOM 0 HE3 LYS A 217 1.028 -9.667 6.008 1.00 5.46 H new ATOM 0 HZ1 LYS A 217 2.887 -10.653 6.787 1.00 5.88 H new ATOM 0 HZ2 LYS A 217 2.898 -9.319 7.837 1.00 5.88 H new ATOM 0 HZ3 LYS A 217 2.299 -10.815 8.371 1.00 5.88 H new ATOM 1003 N GLU A 218 1.188 -2.829 8.817 1.00 0.00 N ATOM 1004 CA GLU A 218 0.541 -1.606 9.283 1.00 0.00 C ATOM 1005 C GLU A 218 0.908 -0.433 8.407 1.00 0.00 C ATOM 1006 O GLU A 218 0.064 0.403 8.081 1.00 0.00 O ATOM 1007 CB GLU A 218 0.943 -1.329 10.760 1.00 0.00 C ATOM 1008 CG GLU A 218 0.471 -2.394 11.802 1.00 0.00 C ATOM 1009 CD GLU A 218 -0.970 -2.351 12.275 1.00 0.00 C ATOM 1010 OE1 GLU A 218 -1.910 -2.552 11.482 1.00 0.00 O ATOM 1011 OE2 GLU A 218 -1.152 -2.121 13.488 1.00 0.00 O1- ATOM 0 H GLU A 218 2.013 -3.101 9.352 1.00 0.00 H new ATOM 0 HA GLU A 218 -0.539 -1.740 9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 218 2.029 -1.252 10.813 1.00 0.00 H new ATOM 0 HB3 GLU A 218 0.540 -0.359 11.051 1.00 0.00 H new ATOM 0 HG2 GLU A 218 0.651 -3.380 11.374 1.00 0.00 H new ATOM 0 HG3 GLU A 218 1.111 -2.306 12.680 1.00 0.00 H new ATOM 1018 N VAL A 219 2.179 -0.368 8.028 1.00 4.99 N ATOM 1019 CA VAL A 219 2.686 0.713 7.193 1.00 5.07 C ATOM 1020 C VAL A 219 1.952 0.765 5.854 1.00 4.71 C ATOM 1021 O VAL A 219 1.607 1.841 5.367 1.00 4.89 O ATOM 1022 CB VAL A 219 4.207 0.564 6.964 1.00 5.20 C ATOM 1023 CG1 VAL A 219 4.700 1.495 5.866 1.00 5.47 C ATOM 1024 CG2 VAL A 219 4.961 0.822 8.262 1.00 5.63 C ATOM 0 H VAL A 219 2.883 -1.059 8.289 1.00 4.99 H new ATOM 0 HA VAL A 219 2.504 1.650 7.719 1.00 5.07 H new ATOM 0 HB VAL A 219 4.399 -0.459 6.639 1.00 5.20 H new ATOM 0 HG11 VAL A 219 5.774 1.363 5.732 1.00 5.47 H new ATOM 0 HG12 VAL A 219 4.187 1.261 4.933 1.00 5.47 H new ATOM 0 HG13 VAL A 219 4.493 2.528 6.145 1.00 5.47 H new ATOM 0 HG21 VAL A 219 6.032 0.714 8.088 1.00 5.63 H new ATOM 0 HG22 VAL A 219 4.750 1.833 8.611 1.00 5.63 H new ATOM 0 HG23 VAL A 219 4.642 0.104 9.017 1.00 5.63 H new ATOM 1034 N TYR A 220 1.684 -0.407 5.290 1.00 4.28 N ATOM 1035 CA TYR A 220 0.990 -0.518 4.007 1.00 4.00 C ATOM 1036 C TYR A 220 -0.412 0.097 4.068 1.00 4.14 C ATOM 1037 O TYR A 220 -0.969 0.502 3.046 1.00 4.18 O ATOM 1038 CB TYR A 220 0.905 -1.991 3.610 1.00 3.69 C ATOM 1039 CG TYR A 220 0.480 -2.237 2.176 1.00 3.55 C ATOM 1040 CD1 TYR A 220 1.354 -2.001 1.120 1.00 3.97 C ATOM 1041 CD2 TYR A 220 -0.790 -2.717 1.878 1.00 3.52 C ATOM 1042 CE1 TYR A 220 0.973 -2.233 -0.189 1.00 4.12 C ATOM 1043 CE2 TYR A 220 -1.176 -2.955 0.571 1.00 3.66 C ATOM 1044 CZ TYR A 220 -0.291 -2.711 -0.460 1.00 3.85 C ATOM 1045 OH TYR A 220 -0.670 -2.948 -1.764 1.00 4.23 O ATOM 0 H TYR A 220 1.939 -1.304 5.704 1.00 4.28 H new ATOM 0 HA TYR A 220 1.556 0.037 3.258 1.00 4.00 H new ATOM 0 HB2 TYR A 220 1.879 -2.453 3.770 1.00 3.69 H new ATOM 0 HB3 TYR A 220 0.201 -2.492 4.274 1.00 3.69 H new ATOM 0 HD1 TYR A 220 2.347 -1.630 1.326 1.00 3.97 H new ATOM 0 HD2 TYR A 220 -1.487 -2.907 2.680 1.00 3.52 H new ATOM 0 HE1 TYR A 220 1.664 -2.040 -0.996 1.00 4.12 H new ATOM 0 HE2 TYR A 220 -2.166 -3.330 0.358 1.00 3.66 H new ATOM 0 HH TYR A 220 -1.591 -3.284 -1.781 1.00 4.23 H new ATOM 1055 N LYS A 221 -0.980 0.160 5.265 1.00 4.37 N ATOM 1056 CA LYS A 221 -2.312 0.726 5.450 1.00 4.73 C ATOM 1057 C LYS A 221 -2.239 2.248 5.504 1.00 5.09 C ATOM 1058 O LYS A 221 -2.958 2.943 4.789 1.00 5.27 O ATOM 1059 CB LYS A 221 -2.946 0.187 6.734 1.00 5.11 C ATOM 1060 CG LYS A 221 -2.887 -1.327 6.856 1.00 5.12 C ATOM 1061 CD LYS A 221 -3.915 -2.009 5.965 1.00 5.57 C ATOM 1062 CE LYS A 221 -3.498 -3.433 5.616 1.00 5.79 C ATOM 1063 NZ LYS A 221 -3.027 -4.190 6.806 1.00 6.17 N1+ ATOM 0 H LYS A 221 -0.540 -0.173 6.123 1.00 4.37 H new ATOM 0 HA LYS A 221 -2.932 0.433 4.602 1.00 4.73 H new ATOM 0 HB2 LYS A 221 -2.442 0.632 7.592 1.00 5.11 H new ATOM 0 HB3 LYS A 221 -3.988 0.506 6.776 1.00 5.11 H new ATOM 0 HG2 LYS A 221 -1.889 -1.674 6.590 1.00 5.12 H new ATOM 0 HG3 LYS A 221 -3.058 -1.614 7.893 1.00 5.12 H new ATOM 0 HD2 LYS A 221 -4.881 -2.025 6.470 1.00 5.57 H new ATOM 0 HD3 LYS A 221 -4.044 -1.432 5.049 1.00 5.57 H new ATOM 0 HE2 LYS A 221 -4.341 -3.956 5.166 1.00 5.79 H new ATOM 0 HE3 LYS A 221 -2.705 -3.404 4.869 1.00 5.79 H new ATOM 0 HZ1 LYS A 221 -3.061 -5.210 6.605 1.00 6.17 H new ATOM 0 HZ2 LYS A 221 -2.049 -3.914 7.029 1.00 6.17 H new ATOM 0 HZ3 LYS A 221 -3.640 -3.977 7.618 1.00 6.17 H new ATOM 1077 N ILE A 222 -1.343 2.753 6.345 1.00 5.30 N ATOM 1078 CA ILE A 222 -1.164 4.192 6.514 1.00 5.78 C ATOM 1079 C ILE A 222 -0.622 4.832 5.233 1.00 5.68 C ATOM 1080 O ILE A 222 -0.942 5.979 4.913 1.00 6.01 O ATOM 1081 CB ILE A 222 -0.212 4.497 7.693 1.00 6.15 C ATOM 1082 CG1 ILE A 222 -0.594 3.651 8.915 1.00 6.30 C ATOM 1083 CG2 ILE A 222 -0.254 5.978 8.041 1.00 6.74 C ATOM 1084 CD1 ILE A 222 0.486 3.585 9.977 1.00 6.53 C ATOM 0 H ILE A 222 -0.726 2.184 6.924 1.00 5.30 H new ATOM 0 HA ILE A 222 -2.142 4.620 6.733 1.00 5.78 H new ATOM 0 HB ILE A 222 0.805 4.241 7.394 1.00 6.15 H new ATOM 0 HG12 ILE A 222 -1.502 4.060 9.359 1.00 6.30 H new ATOM 0 HG13 ILE A 222 -0.828 2.639 8.585 1.00 6.30 H new ATOM 0 HG21 ILE A 222 0.422 6.176 8.873 1.00 6.74 H new ATOM 0 HG22 ILE A 222 0.055 6.564 7.175 1.00 6.74 H new ATOM 0 HG23 ILE A 222 -1.269 6.257 8.324 1.00 6.74 H new ATOM 0 HD11 ILE A 222 0.142 2.970 10.808 1.00 6.53 H new ATOM 0 HD12 ILE A 222 1.389 3.147 9.551 1.00 6.53 H new ATOM 0 HD13 ILE A 222 0.705 4.591 10.336 1.00 6.53 H new ATOM 1096 N HIS A 223 0.182 4.072 4.497 1.00 5.31 N ATOM 1097 CA HIS A 223 0.770 4.540 3.245 1.00 5.36 C ATOM 1098 C HIS A 223 -0.323 4.939 2.253 1.00 5.26 C ATOM 1099 O HIS A 223 -0.229 5.974 1.592 1.00 5.59 O ATOM 1100 CB HIS A 223 1.652 3.442 2.645 1.00 5.11 C ATOM 1101 CG HIS A 223 2.709 3.936 1.701 1.00 5.45 C ATOM 1102 ND1 HIS A 223 3.702 3.099 1.254 1.00 5.42 N ATOM 1103 CD2 HIS A 223 2.888 5.164 1.154 1.00 5.95 C ATOM 1104 CE1 HIS A 223 4.455 3.826 0.449 1.00 5.92 C ATOM 1105 NE2 HIS A 223 4.001 5.085 0.358 1.00 6.23 N ATOM 0 H HIS A 223 0.444 3.119 4.749 1.00 5.31 H new ATOM 0 HA HIS A 223 1.382 5.418 3.452 1.00 5.36 H new ATOM 0 HB2 HIS A 223 2.134 2.897 3.457 1.00 5.11 H new ATOM 0 HB3 HIS A 223 1.016 2.731 2.118 1.00 5.11 H new ATOM 0 HD2 HIS A 223 2.272 6.036 1.315 1.00 5.95 H new ATOM 0 HE1 HIS A 223 5.326 3.454 -0.070 1.00 5.92 H new ATOM 0 HE2 HIS A 223 4.406 5.839 -0.197 1.00 6.23 H new ATOM 1113 N GLN A 224 -1.368 4.120 2.182 1.00 4.91 N ATOM 1114 CA GLN A 224 -2.491 4.370 1.285 1.00 4.90 C ATOM 1115 C GLN A 224 -3.181 5.685 1.629 1.00 5.38 C ATOM 1116 O GLN A 224 -3.565 6.450 0.744 1.00 5.57 O ATOM 1117 CB GLN A 224 -3.500 3.225 1.376 1.00 4.63 C ATOM 1118 CG GLN A 224 -3.123 2.009 0.550 1.00 4.79 C ATOM 1119 CD GLN A 224 -3.993 0.808 0.858 1.00 4.97 C ATOM 1120 OE1 GLN A 224 -5.066 0.635 0.279 1.00 5.09 O ATOM 1121 NE2 GLN A 224 -3.533 -0.033 1.768 1.00 5.38 N ATOM 0 H GLN A 224 -1.460 3.271 2.740 1.00 4.91 H new ATOM 0 HA GLN A 224 -2.104 4.435 0.268 1.00 4.90 H new ATOM 0 HB2 GLN A 224 -3.603 2.926 2.419 1.00 4.63 H new ATOM 0 HB3 GLN A 224 -4.475 3.586 1.050 1.00 4.63 H new ATOM 0 HG2 GLN A 224 -3.207 2.253 -0.509 1.00 4.79 H new ATOM 0 HG3 GLN A 224 -2.080 1.756 0.737 1.00 4.79 H new ATOM 0 HE21 GLN A 224 -2.639 0.148 2.224 1.00 5.38 H new ATOM 0 HE22 GLN A 224 -4.072 -0.863 2.014 1.00 5.38 H new ATOM 1130 N GLN A 225 -3.309 5.947 2.923 1.00 5.66 N ATOM 1131 CA GLN A 225 -3.962 7.160 3.399 1.00 6.22 C ATOM 1132 C GLN A 225 -3.136 8.391 3.043 1.00 6.53 C ATOM 1133 O GLN A 225 -3.680 9.458 2.751 1.00 6.88 O ATOM 1134 CB GLN A 225 -4.164 7.085 4.911 1.00 6.56 C ATOM 1135 CG GLN A 225 -4.945 8.253 5.483 1.00 6.94 C ATOM 1136 CD GLN A 225 -4.878 8.305 6.994 1.00 7.36 C ATOM 1137 OE1 GLN A 225 -5.684 7.682 7.679 1.00 7.76 O ATOM 1138 NE2 GLN A 225 -3.915 9.045 7.525 1.00 7.56 N ATOM 0 H GLN A 225 -2.968 5.334 3.664 1.00 5.66 H new ATOM 0 HA GLN A 225 -4.934 7.244 2.912 1.00 6.22 H new ATOM 0 HB2 GLN A 225 -4.685 6.158 5.153 1.00 6.56 H new ATOM 0 HB3 GLN A 225 -3.189 7.039 5.397 1.00 6.56 H new ATOM 0 HG2 GLN A 225 -4.555 9.184 5.072 1.00 6.94 H new ATOM 0 HG3 GLN A 225 -5.987 8.179 5.170 1.00 6.94 H new ATOM 0 HE21 GLN A 225 -3.265 9.547 6.920 1.00 7.56 H new ATOM 0 HE22 GLN A 225 -3.824 9.112 8.539 1.00 7.56 H new ATOM 1147 N LEU A 226 -1.822 8.236 3.069 1.00 6.49 N ATOM 1148 CA LEU A 226 -0.925 9.334 2.751 1.00 6.92 C ATOM 1149 C LEU A 226 -0.923 9.610 1.253 1.00 6.85 C ATOM 1150 O LEU A 226 -0.913 10.765 0.827 1.00 7.28 O ATOM 1151 CB LEU A 226 0.492 9.029 3.230 1.00 7.02 C ATOM 1152 CG LEU A 226 1.459 10.212 3.158 1.00 7.62 C ATOM 1153 CD1 LEU A 226 1.075 11.289 4.160 1.00 7.93 C ATOM 1154 CD2 LEU A 226 2.883 9.747 3.394 1.00 8.09 C ATOM 0 H LEU A 226 -1.354 7.362 3.307 1.00 6.49 H new ATOM 0 HA LEU A 226 -1.284 10.223 3.269 1.00 6.92 H new ATOM 0 HB2 LEU A 226 0.445 8.678 4.261 1.00 7.02 H new ATOM 0 HB3 LEU A 226 0.895 8.211 2.633 1.00 7.02 H new ATOM 0 HG LEU A 226 1.396 10.643 2.159 1.00 7.62 H new ATOM 0 HD11 LEU A 226 1.778 12.119 4.089 1.00 7.93 H new ATOM 0 HD12 LEU A 226 0.068 11.646 3.942 1.00 7.93 H new ATOM 0 HD13 LEU A 226 1.103 10.875 5.168 1.00 7.93 H new ATOM 0 HD21 LEU A 226 3.558 10.601 3.339 1.00 8.09 H new ATOM 0 HD22 LEU A 226 2.957 9.288 4.380 1.00 8.09 H new ATOM 0 HD23 LEU A 226 3.158 9.017 2.633 1.00 8.09 H new ATOM 1166 N LEU A 227 -0.937 8.549 0.453 1.00 6.38 N ATOM 1167 CA LEU A 227 -0.947 8.696 -0.997 1.00 6.38 C ATOM 1168 C LEU A 227 -2.198 9.440 -1.445 1.00 6.51 C ATOM 1169 O LEU A 227 -2.154 10.231 -2.388 1.00 6.81 O ATOM 1170 CB LEU A 227 -0.872 7.334 -1.692 1.00 5.94 C ATOM 1171 CG LEU A 227 0.480 6.620 -1.613 1.00 5.92 C ATOM 1172 CD1 LEU A 227 0.585 5.569 -2.706 1.00 5.56 C ATOM 1173 CD2 LEU A 227 1.632 7.607 -1.723 1.00 6.51 C ATOM 0 H LEU A 227 -0.942 7.584 0.782 1.00 6.38 H new ATOM 0 HA LEU A 227 -0.067 9.273 -1.281 1.00 6.38 H new ATOM 0 HB2 LEU A 227 -1.631 6.683 -1.258 1.00 5.94 H new ATOM 0 HB3 LEU A 227 -1.130 7.468 -2.742 1.00 5.94 H new ATOM 0 HG LEU A 227 0.545 6.131 -0.641 1.00 5.92 H new ATOM 0 HD11 LEU A 227 1.551 5.069 -2.638 1.00 5.56 H new ATOM 0 HD12 LEU A 227 -0.212 4.836 -2.584 1.00 5.56 H new ATOM 0 HD13 LEU A 227 0.492 6.047 -3.681 1.00 5.56 H new ATOM 0 HD21 LEU A 227 2.578 7.070 -1.663 1.00 6.51 H new ATOM 0 HD22 LEU A 227 1.572 8.132 -2.677 1.00 6.51 H new ATOM 0 HD23 LEU A 227 1.572 8.328 -0.908 1.00 6.51 H new ATOM 1185 N PHE A 228 -3.304 9.190 -0.750 1.00 6.38 N ATOM 1186 CA PHE A 228 -4.576 9.835 -1.054 1.00 6.62 C ATOM 1187 C PHE A 228 -4.440 11.355 -0.967 1.00 7.17 C ATOM 1188 O PHE A 228 -5.039 12.093 -1.750 1.00 7.44 O ATOM 1189 CB PHE A 228 -5.654 9.352 -0.080 1.00 6.57 C ATOM 1190 CG PHE A 228 -7.051 9.587 -0.555 1.00 6.89 C ATOM 1191 CD1 PHE A 228 -7.693 8.640 -1.327 1.00 7.04 C ATOM 1192 CD2 PHE A 228 -7.726 10.748 -0.218 1.00 7.26 C ATOM 1193 CE1 PHE A 228 -8.984 8.841 -1.758 1.00 7.43 C ATOM 1194 CE2 PHE A 228 -9.017 10.957 -0.649 1.00 7.64 C ATOM 1195 CZ PHE A 228 -9.650 10.003 -1.419 1.00 7.67 C ATOM 0 H PHE A 228 -3.344 8.539 0.034 1.00 6.38 H new ATOM 0 HA PHE A 228 -4.866 9.568 -2.070 1.00 6.62 H new ATOM 0 HB2 PHE A 228 -5.516 8.286 0.099 1.00 6.57 H new ATOM 0 HB3 PHE A 228 -5.517 9.856 0.877 1.00 6.57 H new ATOM 0 HD1 PHE A 228 -7.176 7.731 -1.596 1.00 7.04 H new ATOM 0 HD2 PHE A 228 -7.236 11.496 0.388 1.00 7.26 H new ATOM 0 HE1 PHE A 228 -9.476 8.092 -2.360 1.00 7.43 H new ATOM 0 HE2 PHE A 228 -9.534 11.868 -0.384 1.00 7.64 H new ATOM 0 HZ PHE A 228 -10.663 10.164 -1.756 1.00 7.67 H new ATOM 1205 N LYS A 229 -3.629 11.810 -0.018 1.00 7.38 N ATOM 1206 CA LYS A 229 -3.404 13.236 0.183 1.00 7.96 C ATOM 1207 C LYS A 229 -2.593 13.814 -0.970 1.00 8.17 C ATOM 1208 O LYS A 229 -2.905 14.888 -1.489 1.00 8.60 O ATOM 1209 CB LYS A 229 -2.676 13.473 1.511 1.00 8.19 C ATOM 1210 CG LYS A 229 -3.339 12.796 2.700 1.00 8.20 C ATOM 1211 CD LYS A 229 -4.694 13.411 3.006 1.00 8.62 C ATOM 1212 CE LYS A 229 -5.428 12.644 4.092 1.00 8.81 C ATOM 1213 NZ LYS A 229 -6.481 13.471 4.736 1.00 9.36 N1+ ATOM 0 H LYS A 229 -3.115 11.209 0.626 1.00 7.38 H new ATOM 0 HA LYS A 229 -4.370 13.739 0.215 1.00 7.96 H new ATOM 0 HB2 LYS A 229 -1.651 13.112 1.423 1.00 8.19 H new ATOM 0 HB3 LYS A 229 -2.621 14.545 1.699 1.00 8.19 H new ATOM 0 HG2 LYS A 229 -3.459 11.732 2.494 1.00 8.20 H new ATOM 0 HG3 LYS A 229 -2.694 12.881 3.575 1.00 8.20 H new ATOM 0 HD2 LYS A 229 -4.561 14.447 3.319 1.00 8.62 H new ATOM 0 HD3 LYS A 229 -5.299 13.427 2.100 1.00 8.62 H new ATOM 0 HE2 LYS A 229 -5.880 11.750 3.663 1.00 8.81 H new ATOM 0 HE3 LYS A 229 -4.715 12.311 4.847 1.00 8.81 H new ATOM 0 HZ1 LYS A 229 -6.959 12.913 5.472 1.00 9.36 H new ATOM 0 HZ2 LYS A 229 -6.047 14.312 5.167 1.00 9.36 H new ATOM 0 HZ3 LYS A 229 -7.175 13.768 4.021 1.00 9.36 H new ATOM 1227 N ALA A 230 -1.561 13.082 -1.374 1.00 7.94 N ATOM 1228 CA ALA A 230 -0.698 13.507 -2.470 1.00 8.24 C ATOM 1229 C ALA A 230 -1.462 13.522 -3.789 1.00 8.26 C ATOM 1230 O ALA A 230 -1.209 14.357 -4.658 1.00 8.69 O ATOM 1231 CB ALA A 230 0.516 12.597 -2.567 1.00 8.09 C ATOM 0 H ALA A 230 -1.301 12.188 -0.957 1.00 7.94 H new ATOM 0 HA ALA A 230 -0.358 14.522 -2.265 1.00 8.24 H new ATOM 0 HB1 ALA A 230 1.152 12.925 -3.389 1.00 8.09 H new ATOM 0 HB2 ALA A 230 1.078 12.640 -1.634 1.00 8.09 H new ATOM 0 HB3 ALA A 230 0.190 11.573 -2.747 1.00 8.09 H new ATOM 1603 N ASN B 116 -3.990 -16.193 3.600 1.00 11.51 N ATOM 1604 CA ASN B 116 -3.319 -15.748 2.380 1.00 10.99 C ATOM 1605 C ASN B 116 -2.320 -14.625 2.646 1.00 10.00 C ATOM 1606 O ASN B 116 -1.739 -14.072 1.709 1.00 9.54 O ATOM 1607 CB ASN B 116 -4.351 -15.284 1.357 1.00 11.43 C ATOM 1608 CG ASN B 116 -4.499 -16.252 0.205 1.00 11.80 C ATOM 1609 OD1 ASN B 116 -3.560 -16.967 -0.144 1.00 12.04 O ATOM 1610 ND2 ASN B 116 -5.679 -16.290 -0.389 1.00 12.05 N ATOM 0 HA ASN B 116 -2.762 -16.599 1.988 1.00 10.99 H new ATOM 0 HB2 ASN B 116 -5.316 -15.160 1.849 1.00 11.43 H new ATOM 0 HB3 ASN B 116 -4.062 -14.306 0.971 1.00 11.43 H new ATOM 0 HD21 ASN B 116 -5.838 -16.929 -1.168 1.00 12.05 H new ATOM 0 HD22 ASN B 116 -6.431 -15.680 -0.068 1.00 12.05 H new ATOM 1617 N SER B 117 -2.105 -14.302 3.914 1.00 9.85 N ATOM 1618 CA SER B 117 -1.175 -13.243 4.292 1.00 9.09 C ATOM 1619 C SER B 117 0.272 -13.635 3.992 1.00 8.48 C ATOM 1620 O SER B 117 1.171 -12.793 4.000 1.00 7.94 O ATOM 1621 CB SER B 117 -1.326 -12.924 5.781 1.00 9.58 C ATOM 1622 OG SER B 117 -2.690 -12.936 6.166 1.00 10.42 O ATOM 0 H SER B 117 -2.563 -14.759 4.702 1.00 9.85 H new ATOM 0 HA SER B 117 -1.415 -12.359 3.701 1.00 9.09 H new ATOM 0 HB2 SER B 117 -0.771 -13.653 6.371 1.00 9.58 H new ATOM 0 HB3 SER B 117 -0.893 -11.947 5.993 1.00 9.58 H new ATOM 0 HG SER B 117 -2.762 -12.731 7.122 1.00 10.42 H new ATOM 1628 N LYS B 118 0.483 -14.914 3.719 1.00 8.71 N ATOM 1629 CA LYS B 118 1.810 -15.440 3.420 1.00 8.32 C ATOM 1630 C LYS B 118 2.322 -14.933 2.072 1.00 7.50 C ATOM 1631 O LYS B 118 3.526 -14.932 1.815 1.00 7.07 O ATOM 1632 CB LYS B 118 1.756 -16.967 3.410 1.00 9.09 C ATOM 1633 CG LYS B 118 3.088 -17.638 3.690 1.00 9.49 C ATOM 1634 CD LYS B 118 2.915 -19.138 3.836 1.00 10.17 C ATOM 1635 CE LYS B 118 4.187 -19.805 4.328 1.00 10.68 C ATOM 1636 NZ LYS B 118 3.958 -21.228 4.683 1.00 11.16 N1+ ATOM 0 H LYS B 118 -0.257 -15.616 3.698 1.00 8.71 H new ATOM 0 HA LYS B 118 2.498 -15.094 4.191 1.00 8.32 H new ATOM 0 HB2 LYS B 118 1.031 -17.299 4.154 1.00 9.09 H new ATOM 0 HB3 LYS B 118 1.391 -17.300 2.438 1.00 9.09 H new ATOM 0 HG2 LYS B 118 3.785 -17.425 2.880 1.00 9.49 H new ATOM 0 HG3 LYS B 118 3.523 -17.227 4.601 1.00 9.49 H new ATOM 0 HD2 LYS B 118 2.103 -19.344 4.533 1.00 10.17 H new ATOM 0 HD3 LYS B 118 2.628 -19.566 2.876 1.00 10.17 H new ATOM 0 HE2 LYS B 118 4.954 -19.741 3.556 1.00 10.68 H new ATOM 0 HE3 LYS B 118 4.566 -19.269 5.198 1.00 10.68 H new ATOM 0 HZ1 LYS B 118 4.848 -21.651 5.015 1.00 11.16 H new ATOM 0 HZ2 LYS B 118 3.245 -21.287 5.437 1.00 11.16 H new ATOM 0 HZ3 LYS B 118 3.620 -21.745 3.846 1.00 11.16 H new ATOM 1650 N GLU B 119 1.409 -14.479 1.224 1.00 7.48 N ATOM 1651 CA GLU B 119 1.775 -13.984 -0.099 1.00 6.99 C ATOM 1652 C GLU B 119 1.899 -12.463 -0.113 1.00 6.13 C ATOM 1653 O GLU B 119 1.792 -11.836 -1.166 1.00 5.77 O ATOM 1654 CB GLU B 119 0.743 -14.438 -1.128 1.00 7.65 C ATOM 1655 CG GLU B 119 0.638 -15.948 -1.252 1.00 8.43 C ATOM 1656 CD GLU B 119 1.742 -16.549 -2.100 1.00 9.01 C ATOM 1657 OE1 GLU B 119 2.928 -16.208 -1.885 1.00 9.34 O ATOM 1658 OE2 GLU B 119 1.428 -17.370 -2.987 1.00 9.37 O1- ATOM 0 H GLU B 119 0.410 -14.443 1.427 1.00 7.48 H new ATOM 0 HA GLU B 119 2.750 -14.399 -0.356 1.00 6.99 H new ATOM 0 HB2 GLU B 119 -0.232 -14.035 -0.856 1.00 7.65 H new ATOM 0 HB3 GLU B 119 1.001 -14.018 -2.100 1.00 7.65 H new ATOM 0 HG2 GLU B 119 0.669 -16.392 -0.257 1.00 8.43 H new ATOM 0 HG3 GLU B 119 -0.328 -16.205 -1.687 1.00 8.43 H new ATOM 1665 N TRP B 120 2.136 -11.877 1.055 1.00 6.01 N ATOM 1666 CA TRP B 120 2.274 -10.430 1.179 1.00 5.38 C ATOM 1667 C TRP B 120 3.488 -9.932 0.396 1.00 4.90 C ATOM 1668 O TRP B 120 3.399 -8.968 -0.364 1.00 4.43 O ATOM 1669 CB TRP B 120 2.404 -10.044 2.654 1.00 5.80 C ATOM 1670 CG TRP B 120 2.065 -8.612 2.931 1.00 5.98 C ATOM 1671 CD1 TRP B 120 0.822 -8.049 2.917 1.00 6.39 C ATOM 1672 CD2 TRP B 120 2.978 -7.563 3.273 1.00 6.18 C ATOM 1673 NE1 TRP B 120 0.906 -6.711 3.224 1.00 6.78 N ATOM 1674 CE2 TRP B 120 2.219 -6.391 3.450 1.00 6.64 C ATOM 1675 CE3 TRP B 120 4.363 -7.500 3.447 1.00 6.35 C ATOM 1676 CZ2 TRP B 120 2.800 -5.172 3.785 1.00 7.17 C ATOM 1677 CZ3 TRP B 120 4.937 -6.290 3.785 1.00 6.93 C ATOM 1678 CH2 TRP B 120 4.157 -5.141 3.953 1.00 7.28 C ATOM 0 H TRP B 120 2.237 -12.384 1.934 1.00 6.01 H new ATOM 0 HA TRP B 120 1.383 -9.960 0.763 1.00 5.38 H new ATOM 0 HB2 TRP B 120 1.751 -10.684 3.247 1.00 5.80 H new ATOM 0 HB3 TRP B 120 3.425 -10.237 2.983 1.00 5.80 H new ATOM 0 HD1 TRP B 120 -0.094 -8.577 2.697 1.00 6.39 H new ATOM 0 HE1 TRP B 120 0.120 -6.063 3.275 1.00 6.78 H new ATOM 0 HE3 TRP B 120 4.974 -8.382 3.319 1.00 6.35 H new ATOM 0 HZ2 TRP B 120 2.201 -4.282 3.908 1.00 7.17 H new ATOM 0 HZ3 TRP B 120 6.007 -6.230 3.922 1.00 6.93 H new ATOM 0 HH2 TRP B 120 4.636 -4.211 4.221 1.00 7.28 H new ATOM 1689 N THR B 121 4.616 -10.606 0.582 1.00 5.33 N ATOM 1690 CA THR B 121 5.855 -10.248 -0.095 1.00 5.34 C ATOM 1691 C THR B 121 5.743 -10.447 -1.607 1.00 5.03 C ATOM 1692 O THR B 121 6.314 -9.687 -2.392 1.00 5.08 O ATOM 1693 CB THR B 121 7.012 -11.108 0.443 1.00 6.28 C ATOM 1694 OG1 THR B 121 6.515 -11.997 1.452 1.00 6.81 O ATOM 1695 CG2 THR B 121 8.121 -10.244 1.030 1.00 6.77 C ATOM 0 H THR B 121 4.697 -11.411 1.203 1.00 5.33 H new ATOM 0 HA THR B 121 6.049 -9.194 0.102 1.00 5.34 H new ATOM 0 HB THR B 121 7.429 -11.677 -0.388 1.00 6.28 H new ATOM 0 HG1 THR B 121 7.250 -12.547 1.795 1.00 6.81 H new ATOM 0 HG21 THR B 121 8.922 -10.883 1.401 1.00 6.77 H new ATOM 0 HG22 THR B 121 8.513 -9.581 0.258 1.00 6.77 H new ATOM 0 HG23 THR B 121 7.722 -9.649 1.851 1.00 6.77 H new ATOM 1703 N SER B 122 4.976 -11.460 -2.000 1.00 5.01 N ATOM 1704 CA SER B 122 4.781 -11.802 -3.408 1.00 4.99 C ATOM 1705 C SER B 122 4.063 -10.697 -4.183 1.00 4.55 C ATOM 1706 O SER B 122 4.124 -10.658 -5.413 1.00 4.76 O ATOM 1707 CB SER B 122 3.993 -13.108 -3.505 1.00 5.61 C ATOM 1708 OG SER B 122 4.364 -13.997 -2.461 1.00 6.23 O ATOM 0 H SER B 122 4.472 -12.067 -1.353 1.00 5.01 H new ATOM 0 HA SER B 122 5.765 -11.920 -3.862 1.00 4.99 H new ATOM 0 HB2 SER B 122 2.925 -12.899 -3.449 1.00 5.61 H new ATOM 0 HB3 SER B 122 4.176 -13.578 -4.471 1.00 5.61 H new ATOM 0 HG SER B 122 3.692 -14.706 -2.380 1.00 6.23 H new ATOM 1714 N LEU B 123 3.388 -9.799 -3.468 1.00 4.24 N ATOM 1715 CA LEU B 123 2.667 -8.701 -4.106 1.00 4.22 C ATOM 1716 C LEU B 123 3.642 -7.713 -4.735 1.00 4.10 C ATOM 1717 O LEU B 123 3.328 -7.066 -5.735 1.00 4.50 O ATOM 1718 CB LEU B 123 1.769 -7.984 -3.085 1.00 4.40 C ATOM 1719 CG LEU B 123 0.781 -6.964 -3.674 1.00 5.14 C ATOM 1720 CD1 LEU B 123 -0.588 -7.102 -3.028 1.00 5.74 C ATOM 1721 CD2 LEU B 123 1.300 -5.541 -3.503 1.00 5.71 C ATOM 0 H LEU B 123 3.326 -9.810 -2.450 1.00 4.24 H new ATOM 0 HA LEU B 123 2.038 -9.116 -4.894 1.00 4.22 H new ATOM 0 HB2 LEU B 123 1.203 -8.735 -2.534 1.00 4.40 H new ATOM 0 HB3 LEU B 123 2.406 -7.472 -2.364 1.00 4.40 H new ATOM 0 HG LEU B 123 0.685 -7.172 -4.740 1.00 5.14 H new ATOM 0 HD11 LEU B 123 -1.270 -6.370 -3.461 1.00 5.74 H new ATOM 0 HD12 LEU B 123 -0.974 -8.106 -3.204 1.00 5.74 H new ATOM 0 HD13 LEU B 123 -0.503 -6.929 -1.955 1.00 5.74 H new ATOM 0 HD21 LEU B 123 0.583 -4.839 -3.928 1.00 5.71 H new ATOM 0 HD22 LEU B 123 1.433 -5.327 -2.442 1.00 5.71 H new ATOM 0 HD23 LEU B 123 2.256 -5.438 -4.016 1.00 5.71 H new