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 204 GLN : amide:sc= 0.203 K(o=0.25,f=-5.5!) USER MOD Set 1.2: A 213 MET CE :methyl -171:sc= -0.689 (180deg=-0.711) USER MOD Set 1.3: B 121 THR OG1 : rot 44:sc= 0.737 USER MOD Set 2.1: A 217 LYS NZ :NH3+ -168:sc= 2.37 (180deg=1.09) USER MOD Set 2.2: B 117 SER OG : rot 180:sc= 1.02 USER MOD Set 3.1: A 195 THR OG1 : rot 81:sc= 0.837 USER MOD Set 3.2: A 198 GLN : amide:sc= 0.672 K(o=1.5,f=0.033) USER MOD Set 4.1: A 171 ASN : amide:sc= 0.987 K(o=2.2,f=-6.6!) USER MOD Set 4.2: A 174 LYS NZ :NH3+ -172:sc= 1.25 (180deg=0) USER MOD Single : A 172 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.27) USER MOD Single : A 173 MET CE :methyl -129:sc= 0 (180deg=-0.354) USER MOD Single : A 180 LYS NZ :NH3+ -164:sc= -0.0499 (180deg=-0.343) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 GLN : amide:sc= 0.342 X(o=0.34,f=0) USER MOD Single : A 188 ASN : amide:sc= -0.0657 K(o=-0.066,f=-1.6!) USER MOD Single : A 192 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 194 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.13) USER MOD Single : A 197 GLN : amide:sc= -0.0201 K(o=-0.02,f=-1.4!) USER MOD Single : A 200 THR OG1 : rot -87:sc= 1.2 USER MOD Single : A 205 GLN : amide:sc= -2.19! C(o=-2.2!,f=-7.1!) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 THR OG1 : rot -84:sc= 1.24 USER MOD Single : A 211 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 220 TYR OH : rot 180:sc= 0 USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 HIS : no HD1:sc= 0.76 K(o=0.76,f=-6!) USER MOD Single : A 224 GLN : amide:sc=-0.00987 X(o=-0.0099,f=-0.025) USER MOD Single : A 225 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 116 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 122 SER OG : rot 78:sc= 0.0241 USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 169 -6.387 1.800 -8.443 1.00 5.81 N ATOM 201 CA LEU A 169 -5.906 2.194 -7.134 1.00 5.44 C ATOM 202 C LEU A 169 -4.760 1.302 -6.663 1.00 5.18 C ATOM 203 O LEU A 169 -3.698 1.788 -6.277 1.00 5.07 O ATOM 204 CB LEU A 169 -7.052 2.151 -6.122 1.00 5.36 C ATOM 205 CG LEU A 169 -8.210 3.119 -6.394 1.00 5.65 C ATOM 206 CD1 LEU A 169 -9.400 2.786 -5.511 1.00 5.76 C ATOM 207 CD2 LEU A 169 -7.776 4.560 -6.168 1.00 5.82 C ATOM 0 HA LEU A 169 -5.525 3.212 -7.211 1.00 5.44 H new ATOM 0 HB2 LEU A 169 -7.449 1.136 -6.092 1.00 5.36 H new ATOM 0 HB3 LEU A 169 -6.648 2.364 -5.132 1.00 5.36 H new ATOM 0 HG LEU A 169 -8.505 3.008 -7.437 1.00 5.65 H new ATOM 0 HD11 LEU A 169 -10.212 3.483 -5.717 1.00 5.76 H new ATOM 0 HD12 LEU A 169 -9.733 1.769 -5.718 1.00 5.76 H new ATOM 0 HD13 LEU A 169 -9.110 2.867 -4.463 1.00 5.76 H new ATOM 0 HD21 LEU A 169 -8.614 5.228 -6.367 1.00 5.82 H new ATOM 0 HD22 LEU A 169 -7.450 4.684 -5.135 1.00 5.82 H new ATOM 0 HD23 LEU A 169 -6.952 4.801 -6.840 1.00 5.82 H new ATOM 219 N VAL A 170 -4.994 -0.006 -6.695 1.00 5.20 N ATOM 220 CA VAL A 170 -4.009 -0.983 -6.233 1.00 5.06 C ATOM 221 C VAL A 170 -2.739 -1.002 -7.083 1.00 5.34 C ATOM 222 O VAL A 170 -1.652 -1.248 -6.567 1.00 5.28 O ATOM 223 CB VAL A 170 -4.599 -2.409 -6.176 1.00 5.24 C ATOM 224 CG1 VAL A 170 -5.635 -2.520 -5.062 1.00 5.25 C ATOM 225 CG2 VAL A 170 -5.195 -2.815 -7.519 1.00 5.42 C ATOM 0 H VAL A 170 -5.862 -0.418 -7.038 1.00 5.20 H new ATOM 0 HA VAL A 170 -3.738 -0.661 -5.227 1.00 5.06 H new ATOM 0 HB VAL A 170 -3.785 -3.100 -5.954 1.00 5.24 H new ATOM 0 HG11 VAL A 170 -6.038 -3.533 -5.039 1.00 5.25 H new ATOM 0 HG12 VAL A 170 -5.165 -2.295 -4.105 1.00 5.25 H new ATOM 0 HG13 VAL A 170 -6.443 -1.812 -5.245 1.00 5.25 H new ATOM 0 HG21 VAL A 170 -5.602 -3.824 -7.446 1.00 5.42 H new ATOM 0 HG22 VAL A 170 -5.991 -2.121 -7.789 1.00 5.42 H new ATOM 0 HG23 VAL A 170 -4.419 -2.791 -8.284 1.00 5.42 H new ATOM 235 N ASN A 171 -2.873 -0.734 -8.376 1.00 5.77 N ATOM 236 CA ASN A 171 -1.725 -0.738 -9.288 1.00 6.24 C ATOM 237 C ASN A 171 -0.716 0.341 -8.919 1.00 6.25 C ATOM 238 O ASN A 171 0.459 0.259 -9.281 1.00 6.59 O ATOM 239 CB ASN A 171 -2.181 -0.529 -10.733 1.00 6.76 C ATOM 240 CG ASN A 171 -1.162 -1.022 -11.742 1.00 7.31 C ATOM 241 OD1 ASN A 171 -0.401 -1.952 -11.478 1.00 7.47 O ATOM 242 ND2 ASN A 171 -1.143 -0.397 -12.906 1.00 7.80 N ATOM 0 H ASN A 171 -3.763 -0.511 -8.821 1.00 5.77 H new ATOM 0 HA ASN A 171 -1.244 -1.712 -9.196 1.00 6.24 H new ATOM 0 HB2 ASN A 171 -3.125 -1.050 -10.891 1.00 6.76 H new ATOM 0 HB3 ASN A 171 -2.370 0.531 -10.901 1.00 6.76 H new ATOM 0 HD21 ASN A 171 -0.480 -0.681 -13.627 1.00 7.80 H new ATOM 0 HD22 ASN A 171 -1.792 0.370 -13.084 1.00 7.80 H new ATOM 249 N GLN A 172 -1.174 1.356 -8.196 1.00 6.00 N ATOM 250 CA GLN A 172 -0.309 2.457 -7.793 1.00 6.13 C ATOM 251 C GLN A 172 0.528 2.104 -6.565 1.00 5.80 C ATOM 252 O GLN A 172 1.541 2.748 -6.295 1.00 6.06 O ATOM 253 CB GLN A 172 -1.137 3.711 -7.519 1.00 6.13 C ATOM 254 CG GLN A 172 -1.865 4.239 -8.748 1.00 6.58 C ATOM 255 CD GLN A 172 -0.934 4.501 -9.916 1.00 6.95 C ATOM 256 OE1 GLN A 172 -0.708 3.629 -10.756 1.00 7.27 O ATOM 257 NE2 GLN A 172 -0.389 5.701 -9.983 1.00 7.22 N ATOM 0 H GLN A 172 -2.139 1.439 -7.877 1.00 6.00 H new ATOM 0 HA GLN A 172 0.377 2.650 -8.618 1.00 6.13 H new ATOM 0 HB2 GLN A 172 -1.867 3.491 -6.740 1.00 6.13 H new ATOM 0 HB3 GLN A 172 -0.482 4.491 -7.131 1.00 6.13 H new ATOM 0 HG2 GLN A 172 -2.626 3.520 -9.050 1.00 6.58 H new ATOM 0 HG3 GLN A 172 -2.384 5.162 -8.489 1.00 6.58 H new ATOM 0 HE21 GLN A 172 -0.600 6.398 -9.268 1.00 7.22 H new ATOM 0 HE22 GLN A 172 0.243 5.932 -10.749 1.00 7.22 H new ATOM 266 N MET A 173 0.111 1.078 -5.828 1.00 5.33 N ATOM 267 CA MET A 173 0.824 0.658 -4.617 1.00 5.03 C ATOM 268 C MET A 173 2.037 -0.220 -4.950 1.00 5.21 C ATOM 269 O MET A 173 2.470 -1.033 -4.134 1.00 5.01 O ATOM 270 CB MET A 173 -0.126 -0.091 -3.678 1.00 4.54 C ATOM 271 CG MET A 173 -0.241 0.528 -2.290 1.00 4.49 C ATOM 272 SD MET A 173 1.318 0.520 -1.384 1.00 4.57 S ATOM 273 CE MET A 173 0.840 1.350 0.130 1.00 4.49 C ATOM 0 H MET A 173 -0.715 0.521 -6.045 1.00 5.33 H new ATOM 0 HA MET A 173 1.190 1.556 -4.119 1.00 5.03 H new ATOM 0 HB2 MET A 173 -1.116 -0.126 -4.132 1.00 4.54 H new ATOM 0 HB3 MET A 173 0.216 -1.121 -3.578 1.00 4.54 H new ATOM 0 HG2 MET A 173 -0.595 1.555 -2.384 1.00 4.49 H new ATOM 0 HG3 MET A 173 -0.991 -0.016 -1.716 1.00 4.49 H new ATOM 0 HE1 MET A 173 1.539 2.161 0.337 1.00 4.49 H new ATOM 0 HE2 MET A 173 -0.165 1.757 0.020 1.00 4.49 H new ATOM 0 HE3 MET A 173 0.855 0.638 0.956 1.00 4.49 H new ATOM 283 N LYS A 174 2.573 -0.064 -6.152 1.00 5.68 N ATOM 284 CA LYS A 174 3.734 -0.836 -6.574 1.00 6.02 C ATOM 285 C LYS A 174 5.009 -0.034 -6.361 1.00 6.49 C ATOM 286 O LYS A 174 5.856 -0.387 -5.538 1.00 6.55 O ATOM 287 CB LYS A 174 3.607 -1.244 -8.041 1.00 6.45 C ATOM 288 CG LYS A 174 2.621 -2.374 -8.268 1.00 6.44 C ATOM 289 CD LYS A 174 2.350 -2.581 -9.749 1.00 6.92 C ATOM 290 CE LYS A 174 1.634 -3.895 -9.999 1.00 7.15 C ATOM 291 NZ LYS A 174 1.296 -4.081 -11.435 1.00 7.76 N1+ ATOM 0 H LYS A 174 2.223 0.590 -6.852 1.00 5.68 H new ATOM 0 HA LYS A 174 3.782 -1.740 -5.967 1.00 6.02 H new ATOM 0 HB2 LYS A 174 3.297 -0.378 -8.626 1.00 6.45 H new ATOM 0 HB3 LYS A 174 4.586 -1.546 -8.413 1.00 6.45 H new ATOM 0 HG2 LYS A 174 3.014 -3.294 -7.836 1.00 6.44 H new ATOM 0 HG3 LYS A 174 1.686 -2.153 -7.752 1.00 6.44 H new ATOM 0 HD2 LYS A 174 1.746 -1.757 -10.129 1.00 6.92 H new ATOM 0 HD3 LYS A 174 3.291 -2.567 -10.299 1.00 6.92 H new ATOM 0 HE2 LYS A 174 2.263 -4.720 -9.665 1.00 7.15 H new ATOM 0 HE3 LYS A 174 0.721 -3.929 -9.404 1.00 7.15 H new ATOM 0 HZ1 LYS A 174 0.692 -4.921 -11.544 1.00 7.76 H new ATOM 0 HZ2 LYS A 174 0.789 -3.242 -11.784 1.00 7.76 H new ATOM 0 HZ3 LYS A 174 2.170 -4.210 -11.983 1.00 7.76 H new ATOM 305 N VAL A 175 5.148 1.050 -7.105 1.00 6.90 N ATOM 306 CA VAL A 175 6.312 1.901 -6.978 1.00 7.46 C ATOM 307 C VAL A 175 5.986 3.056 -6.052 1.00 7.44 C ATOM 308 O VAL A 175 5.635 4.154 -6.484 1.00 7.78 O ATOM 309 CB VAL A 175 6.784 2.442 -8.343 1.00 8.18 C ATOM 310 CG1 VAL A 175 8.063 3.250 -8.186 1.00 8.62 C ATOM 311 CG2 VAL A 175 6.989 1.299 -9.322 1.00 8.33 C ATOM 0 H VAL A 175 4.469 1.359 -7.801 1.00 6.90 H new ATOM 0 HA VAL A 175 7.125 1.303 -6.566 1.00 7.46 H new ATOM 0 HB VAL A 175 6.012 3.101 -8.739 1.00 8.18 H new ATOM 0 HG11 VAL A 175 8.380 3.623 -9.160 1.00 8.62 H new ATOM 0 HG12 VAL A 175 7.882 4.091 -7.517 1.00 8.62 H new ATOM 0 HG13 VAL A 175 8.845 2.616 -7.769 1.00 8.62 H new ATOM 0 HG21 VAL A 175 7.322 1.696 -10.281 1.00 8.33 H new ATOM 0 HG22 VAL A 175 7.743 0.616 -8.931 1.00 8.33 H new ATOM 0 HG23 VAL A 175 6.049 0.763 -9.458 1.00 8.33 H new ATOM 321 N ALA A 176 6.083 2.780 -4.771 1.00 7.10 N ATOM 322 CA ALA A 176 5.810 3.769 -3.749 1.00 7.14 C ATOM 323 C ALA A 176 6.855 3.695 -2.644 1.00 7.24 C ATOM 324 O ALA A 176 7.022 2.652 -2.016 1.00 6.92 O ATOM 325 CB ALA A 176 4.416 3.555 -3.183 1.00 6.59 C ATOM 0 H ALA A 176 6.353 1.866 -4.407 1.00 7.10 H new ATOM 0 HA ALA A 176 5.858 4.762 -4.196 1.00 7.14 H new ATOM 0 HB1 ALA A 176 4.217 4.302 -2.415 1.00 6.59 H new ATOM 0 HB2 ALA A 176 3.680 3.651 -3.982 1.00 6.59 H new ATOM 0 HB3 ALA A 176 4.350 2.559 -2.746 1.00 6.59 H new ATOM 331 N PRO A 177 7.624 4.772 -2.440 1.00 7.75 N ATOM 332 CA PRO A 177 8.641 4.832 -1.393 1.00 7.96 C ATOM 333 C PRO A 177 8.044 5.214 -0.043 1.00 7.58 C ATOM 334 O PRO A 177 7.214 6.122 0.049 1.00 7.42 O ATOM 335 CB PRO A 177 9.603 5.926 -1.882 1.00 8.76 C ATOM 336 CG PRO A 177 9.016 6.488 -3.143 1.00 8.86 C ATOM 337 CD PRO A 177 7.591 6.016 -3.216 1.00 8.23 C ATOM 0 HA PRO A 177 9.124 3.868 -1.236 1.00 7.96 H new ATOM 0 HB2 PRO A 177 9.718 6.705 -1.128 1.00 8.76 H new ATOM 0 HB3 PRO A 177 10.595 5.514 -2.068 1.00 8.76 H new ATOM 0 HG2 PRO A 177 9.061 7.577 -3.137 1.00 8.86 H new ATOM 0 HG3 PRO A 177 9.579 6.151 -4.013 1.00 8.86 H new ATOM 0 HD2 PRO A 177 6.901 6.743 -2.787 1.00 8.23 H new ATOM 0 HD3 PRO A 177 7.274 5.844 -4.244 1.00 8.23 H new ATOM 345 N ILE A 178 8.471 4.519 1.001 1.00 7.53 N ATOM 346 CA ILE A 178 7.990 4.772 2.350 1.00 7.29 C ATOM 347 C ILE A 178 8.588 6.069 2.901 1.00 7.90 C ATOM 348 O ILE A 178 9.799 6.282 2.824 1.00 8.45 O ATOM 349 CB ILE A 178 8.354 3.604 3.289 1.00 7.03 C ATOM 350 CG1 ILE A 178 8.034 2.265 2.620 1.00 6.56 C ATOM 351 CG2 ILE A 178 7.619 3.721 4.614 1.00 6.79 C ATOM 352 CD1 ILE A 178 9.035 1.174 2.940 1.00 6.69 C ATOM 0 H ILE A 178 9.157 3.767 0.937 1.00 7.53 H new ATOM 0 HA ILE A 178 6.905 4.867 2.303 1.00 7.29 H new ATOM 0 HB ILE A 178 9.424 3.651 3.490 1.00 7.03 H new ATOM 0 HG12 ILE A 178 7.042 1.940 2.933 1.00 6.56 H new ATOM 0 HG13 ILE A 178 7.997 2.407 1.540 1.00 6.56 H new ATOM 0 HG21 ILE A 178 7.894 2.885 5.257 1.00 6.79 H new ATOM 0 HG22 ILE A 178 7.892 4.658 5.100 1.00 6.79 H new ATOM 0 HG23 ILE A 178 6.544 3.704 4.436 1.00 6.79 H new ATOM 0 HD11 ILE A 178 8.745 0.254 2.432 1.00 6.69 H new ATOM 0 HD12 ILE A 178 10.026 1.478 2.602 1.00 6.69 H new ATOM 0 HD13 ILE A 178 9.056 1.003 4.016 1.00 6.69 H new ATOM 364 N PRO A 179 7.741 6.961 3.441 1.00 7.89 N ATOM 365 CA PRO A 179 8.186 8.237 4.010 1.00 8.51 C ATOM 366 C PRO A 179 8.987 8.054 5.297 1.00 8.75 C ATOM 367 O PRO A 179 8.858 7.035 5.982 1.00 8.38 O ATOM 368 CB PRO A 179 6.875 8.975 4.294 1.00 8.36 C ATOM 369 CG PRO A 179 5.858 7.907 4.449 1.00 7.74 C ATOM 370 CD PRO A 179 6.277 6.799 3.525 1.00 7.36 C ATOM 0 HA PRO A 179 8.855 8.772 3.336 1.00 8.51 H new ATOM 0 HB2 PRO A 179 6.951 9.581 5.197 1.00 8.36 H new ATOM 0 HB3 PRO A 179 6.617 9.650 3.478 1.00 8.36 H new ATOM 0 HG2 PRO A 179 5.812 7.558 5.481 1.00 7.74 H new ATOM 0 HG3 PRO A 179 4.864 8.274 4.192 1.00 7.74 H new ATOM 0 HD2 PRO A 179 6.003 5.821 3.920 1.00 7.36 H new ATOM 0 HD3 PRO A 179 5.805 6.891 2.547 1.00 7.36 H new ATOM 378 N LYS A 180 9.787 9.059 5.636 1.00 9.42 N ATOM 379 CA LYS A 180 10.623 9.019 6.830 1.00 9.77 C ATOM 380 C LYS A 180 9.783 8.872 8.093 1.00 9.52 C ATOM 381 O LYS A 180 10.198 8.220 9.052 1.00 9.52 O ATOM 382 CB LYS A 180 11.472 10.286 6.935 1.00 10.55 C ATOM 383 CG LYS A 180 12.445 10.470 5.784 1.00 10.96 C ATOM 384 CD LYS A 180 13.233 11.760 5.933 1.00 11.55 C ATOM 385 CE LYS A 180 14.276 11.907 4.842 1.00 12.03 C ATOM 386 NZ LYS A 180 15.281 10.813 4.878 1.00 12.47 N1+ ATOM 0 H LYS A 180 9.874 9.919 5.095 1.00 9.42 H new ATOM 0 HA LYS A 180 11.274 8.150 6.740 1.00 9.77 H new ATOM 0 HB2 LYS A 180 10.811 11.152 6.982 1.00 10.55 H new ATOM 0 HB3 LYS A 180 12.031 10.261 7.870 1.00 10.55 H new ATOM 0 HG2 LYS A 180 13.131 9.624 5.745 1.00 10.96 H new ATOM 0 HG3 LYS A 180 11.899 10.481 4.841 1.00 10.96 H new ATOM 0 HD2 LYS A 180 12.551 12.609 5.901 1.00 11.55 H new ATOM 0 HD3 LYS A 180 13.720 11.779 6.908 1.00 11.55 H new ATOM 0 HE2 LYS A 180 13.784 11.915 3.869 1.00 12.03 H new ATOM 0 HE3 LYS A 180 14.781 12.867 4.951 1.00 12.03 H new ATOM 0 HZ1 LYS A 180 16.110 11.085 4.312 1.00 12.47 H new ATOM 0 HZ2 LYS A 180 15.573 10.643 5.861 1.00 12.47 H new ATOM 0 HZ3 LYS A 180 14.864 9.945 4.486 1.00 12.47 H new ATOM 400 N GLN A 181 8.605 9.483 8.090 1.00 9.38 N ATOM 401 CA GLN A 181 7.703 9.420 9.234 1.00 9.25 C ATOM 402 C GLN A 181 7.286 7.985 9.535 1.00 8.64 C ATOM 403 O GLN A 181 7.158 7.595 10.694 1.00 8.66 O ATOM 404 CB GLN A 181 6.460 10.274 8.984 1.00 9.25 C ATOM 405 CG GLN A 181 6.659 11.748 9.285 1.00 9.84 C ATOM 406 CD GLN A 181 5.354 12.514 9.281 1.00 9.79 C ATOM 407 OE1 GLN A 181 4.943 13.063 8.258 1.00 9.75 O ATOM 408 NE2 GLN A 181 4.685 12.543 10.423 1.00 9.99 N ATOM 0 H GLN A 181 8.251 10.030 7.305 1.00 9.38 H new ATOM 0 HA GLN A 181 8.241 9.811 10.097 1.00 9.25 H new ATOM 0 HB2 GLN A 181 6.158 10.163 7.943 1.00 9.25 H new ATOM 0 HB3 GLN A 181 5.641 9.895 9.596 1.00 9.25 H new ATOM 0 HG2 GLN A 181 7.139 11.857 10.258 1.00 9.84 H new ATOM 0 HG3 GLN A 181 7.334 12.180 8.546 1.00 9.84 H new ATOM 0 HE21 GLN A 181 5.062 12.075 11.247 1.00 9.99 H new ATOM 0 HE22 GLN A 181 3.793 13.034 10.479 1.00 9.99 H new ATOM 417 N LEU A 182 7.093 7.198 8.488 1.00 8.14 N ATOM 418 CA LEU A 182 6.669 5.813 8.647 1.00 7.55 C ATOM 419 C LEU A 182 7.864 4.893 8.878 1.00 7.61 C ATOM 420 O LEU A 182 7.734 3.839 9.501 1.00 7.33 O ATOM 421 CB LEU A 182 5.881 5.363 7.417 1.00 6.99 C ATOM 422 CG LEU A 182 4.360 5.540 7.512 1.00 6.82 C ATOM 423 CD1 LEU A 182 3.989 6.997 7.750 1.00 6.67 C ATOM 424 CD2 LEU A 182 3.691 5.026 6.244 1.00 6.66 C ATOM 0 H LEU A 182 7.223 7.493 7.520 1.00 8.14 H new ATOM 0 HA LEU A 182 6.026 5.752 9.525 1.00 7.55 H new ATOM 0 HB2 LEU A 182 6.242 5.919 6.552 1.00 6.99 H new ATOM 0 HB3 LEU A 182 6.097 4.311 7.233 1.00 6.99 H new ATOM 0 HG LEU A 182 4.005 4.959 8.363 1.00 6.82 H new ATOM 0 HD11 LEU A 182 2.905 7.091 7.813 1.00 6.67 H new ATOM 0 HD12 LEU A 182 4.437 7.339 8.683 1.00 6.67 H new ATOM 0 HD13 LEU A 182 4.359 7.606 6.925 1.00 6.67 H new ATOM 0 HD21 LEU A 182 2.612 5.157 6.323 1.00 6.66 H new ATOM 0 HD22 LEU A 182 4.062 5.585 5.385 1.00 6.66 H new ATOM 0 HD23 LEU A 182 3.920 3.968 6.115 1.00 6.66 H new ATOM 436 N LEU A 183 9.031 5.316 8.402 1.00 8.04 N ATOM 437 CA LEU A 183 10.258 4.534 8.553 1.00 8.24 C ATOM 438 C LEU A 183 10.649 4.398 10.021 1.00 8.55 C ATOM 439 O LEU A 183 11.428 3.524 10.384 1.00 8.54 O ATOM 440 CB LEU A 183 11.408 5.173 7.766 1.00 8.80 C ATOM 441 CG LEU A 183 11.361 4.967 6.250 1.00 8.62 C ATOM 442 CD1 LEU A 183 12.511 5.705 5.579 1.00 9.31 C ATOM 443 CD2 LEU A 183 11.412 3.486 5.907 1.00 8.25 C ATOM 0 H LEU A 183 9.155 6.199 7.906 1.00 8.04 H new ATOM 0 HA LEU A 183 10.064 3.538 8.154 1.00 8.24 H new ATOM 0 HB2 LEU A 183 11.414 6.244 7.970 1.00 8.80 H new ATOM 0 HB3 LEU A 183 12.349 4.772 8.141 1.00 8.80 H new ATOM 0 HG LEU A 183 10.421 5.374 5.878 1.00 8.62 H new ATOM 0 HD11 LEU A 183 12.464 5.549 4.501 1.00 9.31 H new ATOM 0 HD12 LEU A 183 12.435 6.771 5.795 1.00 9.31 H new ATOM 0 HD13 LEU A 183 13.459 5.325 5.960 1.00 9.31 H new ATOM 0 HD21 LEU A 183 11.377 3.362 4.825 1.00 8.25 H new ATOM 0 HD22 LEU A 183 12.336 3.055 6.292 1.00 8.25 H new ATOM 0 HD23 LEU A 183 10.559 2.979 6.358 1.00 8.25 H new ATOM 455 N GLN A 184 10.104 5.267 10.863 1.00 8.87 N ATOM 456 CA GLN A 184 10.398 5.233 12.294 1.00 9.25 C ATOM 457 C GLN A 184 9.728 4.035 12.959 1.00 8.85 C ATOM 458 O GLN A 184 10.126 3.615 14.043 1.00 9.14 O ATOM 459 CB GLN A 184 9.926 6.517 12.962 1.00 9.76 C ATOM 460 CG GLN A 184 10.363 7.772 12.233 1.00 10.33 C ATOM 461 CD GLN A 184 9.851 9.028 12.892 1.00 10.90 C ATOM 462 OE1 GLN A 184 10.554 9.664 13.675 1.00 11.17 O ATOM 463 NE2 GLN A 184 8.614 9.381 12.602 1.00 11.29 N ATOM 0 H GLN A 184 9.457 6.004 10.582 1.00 8.87 H new ATOM 0 HA GLN A 184 11.478 5.141 12.413 1.00 9.25 H new ATOM 0 HB2 GLN A 184 8.838 6.505 13.028 1.00 9.76 H new ATOM 0 HB3 GLN A 184 10.307 6.548 13.983 1.00 9.76 H new ATOM 0 HG2 GLN A 184 11.452 7.804 12.192 1.00 10.33 H new ATOM 0 HG3 GLN A 184 10.006 7.734 11.204 1.00 10.33 H new ATOM 0 HE21 GLN A 184 8.065 8.825 11.946 1.00 11.29 H new ATOM 0 HE22 GLN A 184 8.206 10.210 13.033 1.00 11.29 H new ATOM 472 N ARG A 185 8.710 3.495 12.302 1.00 8.24 N ATOM 473 CA ARG A 185 7.986 2.346 12.827 1.00 7.89 C ATOM 474 C ARG A 185 8.738 1.063 12.501 1.00 7.66 C ATOM 475 O ARG A 185 8.628 0.059 13.205 1.00 7.54 O ATOM 476 CB ARG A 185 6.566 2.312 12.258 1.00 7.40 C ATOM 477 CG ARG A 185 5.644 3.349 12.884 1.00 7.66 C ATOM 478 CD ARG A 185 4.728 3.987 11.853 1.00 7.53 C ATOM 479 NE ARG A 185 4.940 5.430 11.747 1.00 7.91 N ATOM 480 CZ ARG A 185 3.974 6.319 11.511 1.00 8.28 C ATOM 481 NH1 ARG A 185 2.702 5.935 11.445 1.00 8.35 N1+ ATOM 482 NH2 ARG A 185 4.282 7.603 11.381 1.00 8.81 N ATOM 0 H ARG A 185 8.367 3.835 11.404 1.00 8.24 H new ATOM 0 HA ARG A 185 7.914 2.433 13.911 1.00 7.89 H new ATOM 0 HB2 ARG A 185 6.609 2.476 11.181 1.00 7.40 H new ATOM 0 HB3 ARG A 185 6.143 1.319 12.412 1.00 7.40 H new ATOM 0 HG2 ARG A 185 5.043 2.878 13.662 1.00 7.66 H new ATOM 0 HG3 ARG A 185 6.242 4.122 13.367 1.00 7.66 H new ATOM 0 HD2 ARG A 185 4.898 3.524 10.881 1.00 7.53 H new ATOM 0 HD3 ARG A 185 3.690 3.792 12.121 1.00 7.53 H new ATOM 0 HE ARG A 185 5.891 5.780 11.861 1.00 7.91 H new ATOM 0 HH11 ARG A 185 2.458 4.953 11.575 1.00 8.35 H new ATOM 0 HH12 ARG A 185 1.970 6.622 11.264 1.00 8.35 H new ATOM 0 HH21 ARG A 185 5.253 7.905 11.462 1.00 8.81 H new ATOM 0 HH22 ARG A 185 3.548 8.288 11.200 1.00 8.81 H new ATOM 496 N ILE A 186 9.511 1.110 11.427 1.00 7.69 N ATOM 497 CA ILE A 186 10.317 -0.022 11.004 1.00 7.57 C ATOM 498 C ILE A 186 11.749 0.446 10.760 1.00 8.20 C ATOM 499 O ILE A 186 12.138 0.741 9.633 1.00 8.43 O ATOM 500 CB ILE A 186 9.760 -0.688 9.726 1.00 7.11 C ATOM 501 CG1 ILE A 186 9.173 0.364 8.774 1.00 6.84 C ATOM 502 CG2 ILE A 186 8.715 -1.734 10.089 1.00 6.83 C ATOM 503 CD1 ILE A 186 8.894 -0.168 7.385 1.00 6.52 C ATOM 0 H ILE A 186 9.596 1.931 10.827 1.00 7.69 H new ATOM 0 HA ILE A 186 10.291 -0.769 11.798 1.00 7.57 H new ATOM 0 HB ILE A 186 10.581 -1.185 9.209 1.00 7.11 H new ATOM 0 HG12 ILE A 186 8.247 0.751 9.199 1.00 6.84 H new ATOM 0 HG13 ILE A 186 9.865 1.203 8.701 1.00 6.84 H new ATOM 0 HG21 ILE A 186 8.331 -2.195 9.179 1.00 6.83 H new ATOM 0 HG22 ILE A 186 9.169 -2.498 10.720 1.00 6.83 H new ATOM 0 HG23 ILE A 186 7.896 -1.258 10.628 1.00 6.83 H new ATOM 0 HD11 ILE A 186 8.481 0.629 6.766 1.00 6.52 H new ATOM 0 HD12 ILE A 186 9.822 -0.529 6.940 1.00 6.52 H new ATOM 0 HD13 ILE A 186 8.178 -0.988 7.446 1.00 6.52 H new ATOM 515 N PRO A 187 12.549 0.516 11.826 1.00 8.55 N ATOM 516 CA PRO A 187 13.925 0.972 11.752 1.00 9.18 C ATOM 517 C PRO A 187 14.931 -0.166 11.599 1.00 9.19 C ATOM 518 O PRO A 187 14.575 -1.344 11.692 1.00 8.73 O ATOM 519 CB PRO A 187 14.095 1.650 13.109 1.00 9.56 C ATOM 520 CG PRO A 187 13.214 0.881 14.044 1.00 9.11 C ATOM 521 CD PRO A 187 12.178 0.167 13.206 1.00 8.45 C ATOM 0 HA PRO A 187 14.108 1.607 10.885 1.00 9.18 H new ATOM 0 HB2 PRO A 187 15.135 1.623 13.435 1.00 9.56 H new ATOM 0 HB3 PRO A 187 13.802 2.699 13.065 1.00 9.56 H new ATOM 0 HG2 PRO A 187 13.799 0.166 14.622 1.00 9.11 H new ATOM 0 HG3 PRO A 187 12.735 1.551 14.758 1.00 9.11 H new ATOM 0 HD2 PRO A 187 12.205 -0.911 13.368 1.00 8.45 H new ATOM 0 HD3 PRO A 187 11.169 0.501 13.446 1.00 8.45 H new ATOM 529 N ASN A 188 16.187 0.211 11.366 1.00 9.77 N ATOM 530 CA ASN A 188 17.285 -0.739 11.212 1.00 9.94 C ATOM 531 C ASN A 188 17.046 -1.684 10.048 1.00 9.83 C ATOM 532 O ASN A 188 17.003 -2.904 10.216 1.00 9.99 O ATOM 533 CB ASN A 188 17.508 -1.535 12.498 1.00 9.66 C ATOM 534 CG ASN A 188 18.214 -0.724 13.564 1.00 9.91 C ATOM 535 OD1 ASN A 188 18.953 0.215 13.261 1.00 10.35 O ATOM 536 ND2 ASN A 188 17.991 -1.073 14.818 1.00 9.83 N ATOM 0 H ASN A 188 16.472 1.187 11.279 1.00 9.77 H new ATOM 0 HA ASN A 188 18.184 -0.159 11.000 1.00 9.94 H new ATOM 0 HB2 ASN A 188 16.547 -1.876 12.882 1.00 9.66 H new ATOM 0 HB3 ASN A 188 18.096 -2.425 12.274 1.00 9.66 H new ATOM 0 HD21 ASN A 188 18.437 -0.559 15.578 1.00 9.83 H new ATOM 0 HD22 ASN A 188 17.372 -1.857 15.027 1.00 9.83 H new ATOM 543 N ILE A 189 16.900 -1.114 8.864 1.00 9.66 N ATOM 544 CA ILE A 189 16.679 -1.913 7.671 1.00 9.64 C ATOM 545 C ILE A 189 17.989 -2.079 6.909 1.00 9.96 C ATOM 546 O ILE A 189 18.579 -1.097 6.460 1.00 9.97 O ATOM 547 CB ILE A 189 15.613 -1.284 6.744 1.00 9.24 C ATOM 548 CG1 ILE A 189 15.723 0.245 6.752 1.00 9.23 C ATOM 549 CG2 ILE A 189 14.219 -1.732 7.171 1.00 9.06 C ATOM 550 CD1 ILE A 189 14.827 0.932 5.741 1.00 9.09 C ATOM 0 H ILE A 189 16.930 -0.107 8.703 1.00 9.66 H new ATOM 0 HA ILE A 189 16.309 -2.887 7.991 1.00 9.64 H new ATOM 0 HB ILE A 189 15.789 -1.626 5.724 1.00 9.24 H new ATOM 0 HG12 ILE A 189 15.477 0.612 7.749 1.00 9.23 H new ATOM 0 HG13 ILE A 189 16.758 0.526 6.555 1.00 9.23 H new ATOM 0 HG21 ILE A 189 13.475 -1.284 6.512 1.00 9.06 H new ATOM 0 HG22 ILE A 189 14.151 -2.818 7.109 1.00 9.06 H new ATOM 0 HG23 ILE A 189 14.033 -1.415 8.197 1.00 9.06 H new ATOM 0 HD11 ILE A 189 14.963 2.011 5.809 1.00 9.09 H new ATOM 0 HD12 ILE A 189 15.087 0.596 4.737 1.00 9.09 H new ATOM 0 HD13 ILE A 189 13.786 0.683 5.949 1.00 9.09 H new ATOM 562 N PRO A 190 18.451 -3.329 6.749 1.00 10.38 N ATOM 563 CA PRO A 190 19.704 -3.642 6.046 1.00 10.85 C ATOM 564 C PRO A 190 19.800 -3.068 4.617 1.00 10.73 C ATOM 565 O PRO A 190 20.800 -2.425 4.296 1.00 11.03 O ATOM 566 CB PRO A 190 19.741 -5.172 6.029 1.00 11.43 C ATOM 567 CG PRO A 190 18.882 -5.588 7.167 1.00 11.22 C ATOM 568 CD PRO A 190 17.809 -4.542 7.287 1.00 10.57 C ATOM 0 HA PRO A 190 20.552 -3.183 6.554 1.00 10.85 H new ATOM 0 HB2 PRO A 190 19.364 -5.566 5.085 1.00 11.43 H new ATOM 0 HB3 PRO A 190 20.759 -5.544 6.146 1.00 11.43 H new ATOM 0 HG2 PRO A 190 18.448 -6.572 6.988 1.00 11.22 H new ATOM 0 HG3 PRO A 190 19.462 -5.658 8.087 1.00 11.22 H new ATOM 0 HD2 PRO A 190 16.920 -4.812 6.718 1.00 10.57 H new ATOM 0 HD3 PRO A 190 17.496 -4.405 8.322 1.00 10.57 H new ATOM 576 N PRO A 191 18.786 -3.267 3.732 1.00 10.37 N ATOM 577 CA PRO A 191 18.845 -2.740 2.363 1.00 10.30 C ATOM 578 C PRO A 191 18.789 -1.216 2.328 1.00 10.68 C ATOM 579 O PRO A 191 19.386 -0.585 1.457 1.00 10.94 O ATOM 580 CB PRO A 191 17.605 -3.334 1.691 1.00 9.89 C ATOM 581 CG PRO A 191 16.671 -3.637 2.802 1.00 9.82 C ATOM 582 CD PRO A 191 17.530 -4.005 3.977 1.00 10.13 C ATOM 0 HA PRO A 191 19.779 -3.005 1.868 1.00 10.30 H new ATOM 0 HB2 PRO A 191 17.163 -2.630 0.986 1.00 9.89 H new ATOM 0 HB3 PRO A 191 17.854 -4.234 1.129 1.00 9.89 H new ATOM 0 HG2 PRO A 191 16.045 -2.775 3.031 1.00 9.82 H new ATOM 0 HG3 PRO A 191 16.002 -4.455 2.537 1.00 9.82 H new ATOM 0 HD2 PRO A 191 17.069 -3.710 4.919 1.00 10.13 H new ATOM 0 HD3 PRO A 191 17.700 -5.080 4.028 1.00 10.13 H new ATOM 590 N ASN A 192 18.066 -0.640 3.290 1.00 10.83 N ATOM 591 CA ASN A 192 17.914 0.811 3.405 1.00 11.33 C ATOM 592 C ASN A 192 17.334 1.412 2.128 1.00 11.24 C ATOM 593 O ASN A 192 17.795 2.448 1.645 1.00 11.75 O ATOM 594 CB ASN A 192 19.256 1.472 3.736 1.00 11.90 C ATOM 595 CG ASN A 192 19.118 2.570 4.775 1.00 12.46 C ATOM 596 OD1 ASN A 192 18.811 3.718 4.451 1.00 12.68 O ATOM 597 ND2 ASN A 192 19.346 2.222 6.033 1.00 12.84 N ATOM 0 H ASN A 192 17.570 -1.165 4.010 1.00 10.83 H new ATOM 0 HA ASN A 192 17.216 1.004 4.219 1.00 11.33 H new ATOM 0 HB2 ASN A 192 19.951 0.715 4.101 1.00 11.90 H new ATOM 0 HB3 ASN A 192 19.687 1.889 2.826 1.00 11.90 H new ATOM 0 HD21 ASN A 192 19.270 2.916 6.776 1.00 12.84 H new ATOM 0 HD22 ASN A 192 19.598 1.260 6.258 1.00 12.84 H new ATOM 604 N ILE A 193 16.321 0.755 1.589 1.00 10.63 N ATOM 605 CA ILE A 193 15.661 1.213 0.374 1.00 10.51 C ATOM 606 C ILE A 193 14.281 1.770 0.724 1.00 9.90 C ATOM 607 O ILE A 193 13.709 1.404 1.747 1.00 9.52 O ATOM 608 CB ILE A 193 15.536 0.069 -0.660 1.00 10.37 C ATOM 609 CG1 ILE A 193 16.893 -0.615 -0.848 1.00 10.58 C ATOM 610 CG2 ILE A 193 15.030 0.598 -1.990 1.00 10.81 C ATOM 611 CD1 ILE A 193 16.820 -1.915 -1.616 1.00 10.26 C ATOM 0 H ILE A 193 15.934 -0.105 1.977 1.00 10.63 H new ATOM 0 HA ILE A 193 16.266 2.000 -0.076 1.00 10.51 H new ATOM 0 HB ILE A 193 14.817 -0.659 -0.285 1.00 10.37 H new ATOM 0 HG12 ILE A 193 17.564 0.067 -1.370 1.00 10.58 H new ATOM 0 HG13 ILE A 193 17.332 -0.807 0.131 1.00 10.58 H new ATOM 0 HG21 ILE A 193 14.950 -0.224 -2.702 1.00 10.81 H new ATOM 0 HG22 ILE A 193 14.050 1.054 -1.851 1.00 10.81 H new ATOM 0 HG23 ILE A 193 15.726 1.344 -2.374 1.00 10.81 H new ATOM 0 HD11 ILE A 193 17.820 -2.340 -1.708 1.00 10.26 H new ATOM 0 HD12 ILE A 193 16.176 -2.616 -1.085 1.00 10.26 H new ATOM 0 HD13 ILE A 193 16.412 -1.728 -2.609 1.00 10.26 H new ATOM 623 N ASN A 194 13.751 2.656 -0.113 1.00 9.87 N ATOM 624 CA ASN A 194 12.456 3.268 0.161 1.00 9.35 C ATOM 625 C ASN A 194 11.331 2.701 -0.697 1.00 8.86 C ATOM 626 O ASN A 194 10.188 2.660 -0.253 1.00 8.57 O ATOM 627 CB ASN A 194 12.524 4.784 -0.042 1.00 9.78 C ATOM 628 CG ASN A 194 13.321 5.489 1.035 1.00 10.10 C ATOM 629 OD1 ASN A 194 14.539 5.646 0.919 1.00 10.43 O ATOM 630 ND2 ASN A 194 12.644 5.930 2.085 1.00 10.17 N ATOM 0 H ASN A 194 14.193 2.964 -0.979 1.00 9.87 H new ATOM 0 HA ASN A 194 12.227 3.034 1.201 1.00 9.35 H new ATOM 0 HB2 ASN A 194 12.970 4.995 -1.014 1.00 9.78 H new ATOM 0 HB3 ASN A 194 11.512 5.188 -0.061 1.00 9.78 H new ATOM 0 HD21 ASN A 194 13.130 6.420 2.836 1.00 10.17 H new ATOM 0 HD22 ASN A 194 11.637 5.779 2.142 1.00 10.17 H new ATOM 637 N THR A 195 11.632 2.246 -1.906 1.00 8.88 N ATOM 638 CA THR A 195 10.585 1.728 -2.784 1.00 8.49 C ATOM 639 C THR A 195 10.066 0.381 -2.293 1.00 7.92 C ATOM 640 O THR A 195 10.850 -0.533 -2.030 1.00 8.08 O ATOM 641 CB THR A 195 11.118 1.574 -4.224 1.00 9.05 C ATOM 642 OG1 THR A 195 12.438 1.013 -4.184 1.00 9.80 O ATOM 643 CG2 THR A 195 11.156 2.912 -4.948 1.00 8.98 C ATOM 0 H THR A 195 12.573 2.223 -2.298 1.00 8.88 H new ATOM 0 HA THR A 195 9.763 2.444 -2.772 1.00 8.49 H new ATOM 0 HB THR A 195 10.444 0.913 -4.769 1.00 9.05 H new ATOM 0 HG1 THR A 195 12.377 0.041 -4.071 1.00 9.80 H new ATOM 0 HG21 THR A 195 11.536 2.768 -5.959 1.00 8.98 H new ATOM 0 HG22 THR A 195 10.150 3.329 -4.995 1.00 8.98 H new ATOM 0 HG23 THR A 195 11.809 3.599 -4.409 1.00 8.98 H new ATOM 651 N TRP A 196 8.737 0.251 -2.253 1.00 7.29 N ATOM 652 CA TRP A 196 8.062 -0.960 -1.769 1.00 6.73 C ATOM 653 C TRP A 196 8.498 -2.229 -2.492 1.00 7.00 C ATOM 654 O TRP A 196 8.684 -3.257 -1.852 1.00 6.84 O ATOM 655 CB TRP A 196 6.540 -0.810 -1.864 1.00 6.14 C ATOM 656 CG TRP A 196 5.919 -0.393 -0.568 1.00 5.65 C ATOM 657 CD1 TRP A 196 5.141 0.703 -0.347 1.00 5.54 C ATOM 658 CD2 TRP A 196 6.033 -1.064 0.696 1.00 5.33 C ATOM 659 NE1 TRP A 196 4.765 0.757 0.970 1.00 5.20 N ATOM 660 CE2 TRP A 196 5.298 -0.317 1.633 1.00 5.06 C ATOM 661 CE3 TRP A 196 6.686 -2.225 1.123 1.00 5.33 C ATOM 662 CZ2 TRP A 196 5.193 -0.694 2.970 1.00 4.84 C ATOM 663 CZ3 TRP A 196 6.584 -2.600 2.448 1.00 5.05 C ATOM 664 CH2 TRP A 196 5.840 -1.833 3.359 1.00 4.82 C ATOM 0 H TRP A 196 8.096 0.984 -2.556 1.00 7.29 H new ATOM 0 HA TRP A 196 8.360 -1.068 -0.726 1.00 6.73 H new ATOM 0 HB2 TRP A 196 6.299 -0.074 -2.631 1.00 6.14 H new ATOM 0 HB3 TRP A 196 6.105 -1.757 -2.183 1.00 6.14 H new ATOM 0 HD1 TRP A 196 4.861 1.425 -1.100 1.00 5.54 H new ATOM 0 HE1 TRP A 196 4.182 1.481 1.389 1.00 5.20 H new ATOM 0 HE3 TRP A 196 7.261 -2.819 0.427 1.00 5.33 H new ATOM 0 HZ2 TRP A 196 4.621 -0.107 3.674 1.00 4.84 H new ATOM 0 HZ3 TRP A 196 7.083 -3.495 2.788 1.00 5.05 H new ATOM 0 HH2 TRP A 196 5.778 -2.150 4.389 1.00 4.82 H new ATOM 675 N GLN A 197 8.663 -2.158 -3.805 1.00 7.47 N ATOM 676 CA GLN A 197 9.069 -3.327 -4.586 1.00 7.85 C ATOM 677 C GLN A 197 10.395 -3.902 -4.086 1.00 8.27 C ATOM 678 O GLN A 197 10.595 -5.112 -4.087 1.00 8.37 O ATOM 679 CB GLN A 197 9.169 -2.974 -6.073 1.00 8.38 C ATOM 680 CG GLN A 197 7.838 -3.051 -6.806 1.00 8.33 C ATOM 681 CD GLN A 197 7.997 -2.974 -8.311 1.00 8.43 C ATOM 682 OE1 GLN A 197 7.890 -1.903 -8.910 1.00 8.59 O ATOM 683 NE2 GLN A 197 8.273 -4.108 -8.933 1.00 8.60 N ATOM 0 H GLN A 197 8.524 -1.309 -4.354 1.00 7.47 H new ATOM 0 HA GLN A 197 8.303 -4.091 -4.457 1.00 7.85 H new ATOM 0 HB2 GLN A 197 9.572 -1.966 -6.173 1.00 8.38 H new ATOM 0 HB3 GLN A 197 9.878 -3.649 -6.552 1.00 8.38 H new ATOM 0 HG2 GLN A 197 7.337 -3.983 -6.544 1.00 8.33 H new ATOM 0 HG3 GLN A 197 7.195 -2.238 -6.470 1.00 8.33 H new ATOM 0 HE21 GLN A 197 8.354 -4.975 -8.401 1.00 8.60 H new ATOM 0 HE22 GLN A 197 8.405 -4.116 -9.944 1.00 8.60 H new ATOM 692 N GLN A 198 11.299 -3.028 -3.667 1.00 8.57 N ATOM 693 CA GLN A 198 12.594 -3.456 -3.157 1.00 9.03 C ATOM 694 C GLN A 198 12.530 -3.731 -1.652 1.00 8.61 C ATOM 695 O GLN A 198 13.323 -4.506 -1.118 1.00 8.82 O ATOM 696 CB GLN A 198 13.656 -2.401 -3.460 1.00 9.66 C ATOM 697 CG GLN A 198 13.877 -2.178 -4.949 1.00 10.19 C ATOM 698 CD GLN A 198 15.070 -1.289 -5.238 1.00 10.85 C ATOM 699 OE1 GLN A 198 16.189 -1.765 -5.416 1.00 11.11 O ATOM 700 NE2 GLN A 198 14.835 0.011 -5.284 1.00 11.29 N ATOM 0 H GLN A 198 11.160 -2.018 -3.670 1.00 8.57 H new ATOM 0 HA GLN A 198 12.866 -4.385 -3.658 1.00 9.03 H new ATOM 0 HB2 GLN A 198 13.363 -1.458 -2.998 1.00 9.66 H new ATOM 0 HB3 GLN A 198 14.598 -2.702 -3.001 1.00 9.66 H new ATOM 0 HG2 GLN A 198 14.020 -3.141 -5.439 1.00 10.19 H new ATOM 0 HG3 GLN A 198 12.982 -1.730 -5.382 1.00 10.19 H new ATOM 0 HE21 GLN A 198 13.891 0.364 -5.130 1.00 11.29 H new ATOM 0 HE22 GLN A 198 15.598 0.661 -5.473 1.00 11.29 H new ATOM 709 N VAL A 199 11.589 -3.080 -0.972 1.00 8.07 N ATOM 710 CA VAL A 199 11.416 -3.258 0.467 1.00 7.70 C ATOM 711 C VAL A 199 10.759 -4.607 0.784 1.00 7.32 C ATOM 712 O VAL A 199 11.125 -5.273 1.751 1.00 7.31 O ATOM 713 CB VAL A 199 10.570 -2.115 1.088 1.00 7.25 C ATOM 714 CG1 VAL A 199 10.357 -2.347 2.578 1.00 7.19 C ATOM 715 CG2 VAL A 199 11.223 -0.756 0.856 1.00 7.41 C ATOM 0 H VAL A 199 10.934 -2.423 -1.396 1.00 8.07 H new ATOM 0 HA VAL A 199 12.412 -3.233 0.908 1.00 7.70 H new ATOM 0 HB VAL A 199 9.599 -2.117 0.592 1.00 7.25 H new ATOM 0 HG11 VAL A 199 9.761 -1.533 2.991 1.00 7.19 H new ATOM 0 HG12 VAL A 199 9.834 -3.292 2.728 1.00 7.19 H new ATOM 0 HG13 VAL A 199 11.323 -2.383 3.082 1.00 7.19 H new ATOM 0 HG21 VAL A 199 10.607 0.025 1.302 1.00 7.41 H new ATOM 0 HG22 VAL A 199 12.212 -0.744 1.314 1.00 7.41 H new ATOM 0 HG23 VAL A 199 11.317 -0.576 -0.215 1.00 7.41 H new ATOM 725 N THR A 200 9.816 -5.026 -0.055 1.00 7.10 N ATOM 726 CA THR A 200 9.111 -6.292 0.150 1.00 6.83 C ATOM 727 C THR A 200 10.065 -7.484 0.031 1.00 7.39 C ATOM 728 O THR A 200 9.800 -8.565 0.558 1.00 7.30 O ATOM 729 CB THR A 200 7.953 -6.450 -0.855 1.00 6.60 C ATOM 730 OG1 THR A 200 8.303 -5.834 -2.097 1.00 6.76 O ATOM 731 CG2 THR A 200 6.666 -5.832 -0.314 1.00 6.11 C ATOM 0 H THR A 200 9.521 -4.509 -0.883 1.00 7.10 H new ATOM 0 HA THR A 200 8.701 -6.274 1.160 1.00 6.83 H new ATOM 0 HB THR A 200 7.779 -7.515 -1.011 1.00 6.60 H new ATOM 0 HG1 THR A 200 8.067 -4.883 -2.069 1.00 6.76 H new ATOM 0 HG21 THR A 200 5.867 -5.958 -1.044 1.00 6.11 H new ATOM 0 HG22 THR A 200 6.388 -6.326 0.617 1.00 6.11 H new ATOM 0 HG23 THR A 200 6.823 -4.769 -0.128 1.00 6.11 H new ATOM 739 N ALA A 201 11.188 -7.262 -0.650 1.00 8.02 N ATOM 740 CA ALA A 201 12.209 -8.291 -0.846 1.00 8.63 C ATOM 741 C ALA A 201 12.837 -8.714 0.483 1.00 8.64 C ATOM 742 O ALA A 201 13.403 -9.802 0.590 1.00 8.93 O ATOM 743 CB ALA A 201 13.288 -7.783 -1.794 1.00 9.32 C ATOM 0 H ALA A 201 11.416 -6.366 -1.081 1.00 8.02 H new ATOM 0 HA ALA A 201 11.726 -9.165 -1.283 1.00 8.63 H new ATOM 0 HB1 ALA A 201 14.043 -8.556 -1.933 1.00 9.32 H new ATOM 0 HB2 ALA A 201 12.840 -7.536 -2.756 1.00 9.32 H new ATOM 0 HB3 ALA A 201 13.754 -6.893 -1.371 1.00 9.32 H new ATOM 749 N LEU A 202 12.738 -7.838 1.483 1.00 8.38 N ATOM 750 CA LEU A 202 13.297 -8.084 2.816 1.00 8.45 C ATOM 751 C LEU A 202 12.949 -9.476 3.356 1.00 8.04 C ATOM 752 O LEU A 202 13.800 -10.153 3.939 1.00 8.27 O ATOM 753 CB LEU A 202 12.787 -7.024 3.793 1.00 8.32 C ATOM 754 CG LEU A 202 13.700 -5.813 3.989 1.00 8.50 C ATOM 755 CD1 LEU A 202 12.908 -4.630 4.524 1.00 8.35 C ATOM 756 CD2 LEU A 202 14.836 -6.159 4.938 1.00 9.03 C ATOM 0 H LEU A 202 12.268 -6.937 1.394 1.00 8.38 H new ATOM 0 HA LEU A 202 14.382 -8.030 2.722 1.00 8.45 H new ATOM 0 HB2 LEU A 202 11.816 -6.672 3.445 1.00 8.32 H new ATOM 0 HB3 LEU A 202 12.626 -7.496 4.762 1.00 8.32 H new ATOM 0 HG LEU A 202 14.122 -5.538 3.023 1.00 8.50 H new ATOM 0 HD11 LEU A 202 13.573 -3.777 4.657 1.00 8.35 H new ATOM 0 HD12 LEU A 202 12.121 -4.369 3.816 1.00 8.35 H new ATOM 0 HD13 LEU A 202 12.461 -4.895 5.482 1.00 8.35 H new ATOM 0 HD21 LEU A 202 15.479 -5.288 5.069 1.00 9.03 H new ATOM 0 HD22 LEU A 202 14.426 -6.456 5.903 1.00 9.03 H new ATOM 0 HD23 LEU A 202 15.419 -6.981 4.523 1.00 9.03 H new ATOM 768 N ALA A 203 11.712 -9.909 3.154 1.00 7.51 N ATOM 769 CA ALA A 203 11.284 -11.215 3.641 1.00 7.19 C ATOM 770 C ALA A 203 11.805 -12.335 2.749 1.00 7.64 C ATOM 771 O ALA A 203 12.193 -13.393 3.236 1.00 7.71 O ATOM 772 CB ALA A 203 9.770 -11.278 3.741 1.00 6.60 C ATOM 0 H ALA A 203 10.992 -9.381 2.661 1.00 7.51 H new ATOM 0 HA ALA A 203 11.706 -11.354 4.637 1.00 7.19 H new ATOM 0 HB1 ALA A 203 9.470 -12.260 4.106 1.00 6.60 H new ATOM 0 HB2 ALA A 203 9.419 -10.511 4.432 1.00 6.60 H new ATOM 0 HB3 ALA A 203 9.333 -11.108 2.757 1.00 6.60 H new ATOM 778 N GLN A 204 11.828 -12.090 1.446 1.00 8.03 N ATOM 779 CA GLN A 204 12.302 -13.081 0.487 1.00 8.56 C ATOM 780 C GLN A 204 13.802 -13.315 0.640 1.00 9.11 C ATOM 781 O GLN A 204 14.314 -14.373 0.274 1.00 9.51 O ATOM 782 CB GLN A 204 11.986 -12.644 -0.949 1.00 8.89 C ATOM 783 CG GLN A 204 10.538 -12.878 -1.363 1.00 8.56 C ATOM 784 CD GLN A 204 9.590 -11.817 -0.831 1.00 8.93 C ATOM 785 OE1 GLN A 204 9.050 -11.942 0.269 1.00 9.22 O ATOM 786 NE2 GLN A 204 9.381 -10.768 -1.610 1.00 9.16 N ATOM 0 H GLN A 204 11.523 -11.211 1.027 1.00 8.03 H new ATOM 0 HA GLN A 204 11.781 -14.016 0.692 1.00 8.56 H new ATOM 0 HB2 GLN A 204 12.217 -11.584 -1.054 1.00 8.89 H new ATOM 0 HB3 GLN A 204 12.641 -13.182 -1.634 1.00 8.89 H new ATOM 0 HG2 GLN A 204 10.476 -12.900 -2.451 1.00 8.56 H new ATOM 0 HG3 GLN A 204 10.217 -13.856 -1.005 1.00 8.56 H new ATOM 0 HE21 GLN A 204 9.848 -10.703 -2.514 1.00 9.16 H new ATOM 0 HE22 GLN A 204 8.753 -10.024 -1.306 1.00 9.16 H new ATOM 795 N GLN A 205 14.503 -12.324 1.174 1.00 9.17 N ATOM 796 CA GLN A 205 15.942 -12.433 1.380 1.00 9.72 C ATOM 797 C GLN A 205 16.247 -12.928 2.787 1.00 9.52 C ATOM 798 O GLN A 205 17.410 -13.009 3.185 1.00 9.93 O ATOM 799 CB GLN A 205 16.634 -11.090 1.131 1.00 10.00 C ATOM 800 CG GLN A 205 16.645 -10.671 -0.331 1.00 10.36 C ATOM 801 CD GLN A 205 17.441 -11.613 -1.222 1.00 10.95 C ATOM 802 OE1 GLN A 205 17.498 -12.823 -0.989 1.00 11.13 O ATOM 803 NE2 GLN A 205 18.064 -11.067 -2.251 1.00 11.44 N ATOM 0 H GLN A 205 14.100 -11.436 1.472 1.00 9.17 H new ATOM 0 HA GLN A 205 16.329 -13.157 0.663 1.00 9.72 H new ATOM 0 HB2 GLN A 205 16.134 -10.319 1.717 1.00 10.00 H new ATOM 0 HB3 GLN A 205 17.661 -11.148 1.491 1.00 10.00 H new ATOM 0 HG2 GLN A 205 15.619 -10.619 -0.694 1.00 10.36 H new ATOM 0 HG3 GLN A 205 17.063 -9.667 -0.411 1.00 10.36 H new ATOM 0 HE21 GLN A 205 17.995 -10.062 -2.414 1.00 11.44 H new ATOM 0 HE22 GLN A 205 18.614 -11.650 -2.882 1.00 11.44 H new ATOM 812 N LYS A 206 15.186 -13.249 3.527 1.00 8.93 N ATOM 813 CA LYS A 206 15.293 -13.758 4.896 1.00 8.75 C ATOM 814 C LYS A 206 15.918 -12.729 5.839 1.00 8.72 C ATOM 815 O LYS A 206 16.609 -13.086 6.794 1.00 8.89 O ATOM 816 CB LYS A 206 16.094 -15.067 4.920 1.00 9.26 C ATOM 817 CG LYS A 206 15.390 -16.218 4.216 1.00 9.36 C ATOM 818 CD LYS A 206 16.002 -16.519 2.855 1.00 9.64 C ATOM 819 CE LYS A 206 15.026 -17.271 1.965 1.00 9.95 C ATOM 820 NZ LYS A 206 15.720 -18.005 0.875 1.00 10.29 N1+ ATOM 0 H LYS A 206 14.226 -13.164 3.194 1.00 8.93 H new ATOM 0 HA LYS A 206 14.282 -13.956 5.253 1.00 8.75 H new ATOM 0 HB2 LYS A 206 17.063 -14.900 4.449 1.00 9.26 H new ATOM 0 HB3 LYS A 206 16.287 -15.347 5.955 1.00 9.26 H new ATOM 0 HG2 LYS A 206 15.441 -17.110 4.841 1.00 9.36 H new ATOM 0 HG3 LYS A 206 14.335 -15.975 4.092 1.00 9.36 H new ATOM 0 HD2 LYS A 206 16.295 -15.587 2.371 1.00 9.64 H new ATOM 0 HD3 LYS A 206 16.909 -17.110 2.984 1.00 9.64 H new ATOM 0 HE2 LYS A 206 14.453 -17.975 2.569 1.00 9.95 H new ATOM 0 HE3 LYS A 206 14.314 -16.568 1.533 1.00 9.95 H new ATOM 0 HZ1 LYS A 206 15.019 -18.504 0.291 1.00 10.29 H new ATOM 0 HZ2 LYS A 206 16.246 -17.331 0.283 1.00 10.29 H new ATOM 0 HZ3 LYS A 206 16.381 -18.694 1.287 1.00 10.29 H new ATOM 834 N LEU A 207 15.657 -11.455 5.579 1.00 8.58 N ATOM 835 CA LEU A 207 16.189 -10.383 6.409 1.00 8.66 C ATOM 836 C LEU A 207 15.131 -9.904 7.393 1.00 8.06 C ATOM 837 O LEU A 207 15.436 -9.549 8.530 1.00 8.10 O ATOM 838 CB LEU A 207 16.652 -9.212 5.539 1.00 9.02 C ATOM 839 CG LEU A 207 17.706 -9.557 4.485 1.00 9.66 C ATOM 840 CD1 LEU A 207 17.902 -8.390 3.526 1.00 9.96 C ATOM 841 CD2 LEU A 207 19.020 -9.924 5.153 1.00 10.21 C ATOM 0 H LEU A 207 15.080 -11.139 4.800 1.00 8.58 H new ATOM 0 HA LEU A 207 17.044 -10.771 6.964 1.00 8.66 H new ATOM 0 HB2 LEU A 207 15.783 -8.789 5.035 1.00 9.02 H new ATOM 0 HB3 LEU A 207 17.053 -8.434 6.189 1.00 9.02 H new ATOM 0 HG LEU A 207 17.357 -10.417 3.913 1.00 9.66 H new ATOM 0 HD11 LEU A 207 18.655 -8.652 2.783 1.00 9.96 H new ATOM 0 HD12 LEU A 207 16.960 -8.168 3.025 1.00 9.96 H new ATOM 0 HD13 LEU A 207 18.232 -7.513 4.083 1.00 9.96 H new ATOM 0 HD21 LEU A 207 19.760 -10.167 4.391 1.00 10.21 H new ATOM 0 HD22 LEU A 207 19.374 -9.081 5.747 1.00 10.21 H new ATOM 0 HD23 LEU A 207 18.870 -10.787 5.801 1.00 10.21 H new ATOM 853 N LEU A 208 13.882 -9.900 6.940 1.00 7.59 N ATOM 854 CA LEU A 208 12.757 -9.468 7.762 1.00 7.05 C ATOM 855 C LEU A 208 12.441 -10.519 8.817 1.00 6.95 C ATOM 856 O LEU A 208 12.193 -11.681 8.496 1.00 6.96 O ATOM 857 CB LEU A 208 11.527 -9.227 6.879 1.00 6.63 C ATOM 858 CG LEU A 208 10.573 -8.132 7.361 1.00 6.34 C ATOM 859 CD1 LEU A 208 11.281 -6.783 7.399 1.00 6.60 C ATOM 860 CD2 LEU A 208 9.346 -8.065 6.464 1.00 5.96 C ATOM 0 H LEU A 208 13.622 -10.194 5.999 1.00 7.59 H new ATOM 0 HA LEU A 208 13.025 -8.538 8.263 1.00 7.05 H new ATOM 0 HB2 LEU A 208 11.867 -8.972 5.875 1.00 6.63 H new ATOM 0 HB3 LEU A 208 10.970 -10.161 6.800 1.00 6.63 H new ATOM 0 HG LEU A 208 10.249 -8.378 8.372 1.00 6.34 H new ATOM 0 HD11 LEU A 208 10.586 -6.017 7.744 1.00 6.60 H new ATOM 0 HD12 LEU A 208 12.130 -6.837 8.081 1.00 6.60 H new ATOM 0 HD13 LEU A 208 11.634 -6.529 6.399 1.00 6.60 H new ATOM 0 HD21 LEU A 208 8.677 -7.281 6.820 1.00 5.96 H new ATOM 0 HD22 LEU A 208 9.654 -7.843 5.442 1.00 5.96 H new ATOM 0 HD23 LEU A 208 8.826 -9.023 6.486 1.00 5.96 H new ATOM 872 N THR A 209 12.456 -10.110 10.072 1.00 6.97 N ATOM 873 CA THR A 209 12.170 -11.017 11.165 1.00 7.00 C ATOM 874 C THR A 209 10.666 -11.061 11.430 1.00 6.57 C ATOM 875 O THR A 209 9.924 -10.209 10.929 1.00 6.24 O ATOM 876 CB THR A 209 12.908 -10.582 12.447 1.00 7.40 C ATOM 877 OG1 THR A 209 12.400 -9.320 12.904 1.00 7.39 O ATOM 878 CG2 THR A 209 14.407 -10.478 12.199 1.00 7.89 C ATOM 0 H THR A 209 12.664 -9.153 10.359 1.00 6.97 H new ATOM 0 HA THR A 209 12.518 -12.010 10.882 1.00 7.00 H new ATOM 0 HB THR A 209 12.736 -11.337 13.214 1.00 7.40 H new ATOM 0 HG1 THR A 209 12.846 -8.593 12.421 1.00 7.39 H new ATOM 0 HG21 THR A 209 14.907 -10.170 13.117 1.00 7.89 H new ATOM 0 HG22 THR A 209 14.792 -11.448 11.884 1.00 7.89 H new ATOM 0 HG23 THR A 209 14.596 -9.742 11.418 1.00 7.89 H new ATOM 886 N PRO A 210 10.181 -12.049 12.205 1.00 6.66 N ATOM 887 CA PRO A 210 8.756 -12.163 12.533 1.00 6.45 C ATOM 888 C PRO A 210 8.255 -10.936 13.290 1.00 6.38 C ATOM 889 O PRO A 210 7.050 -10.680 13.362 1.00 6.16 O ATOM 890 CB PRO A 210 8.679 -13.411 13.420 1.00 6.85 C ATOM 891 CG PRO A 210 9.923 -14.172 13.133 1.00 7.16 C ATOM 892 CD PRO A 210 10.967 -13.144 12.806 1.00 7.08 C ATOM 0 HA PRO A 210 8.134 -12.234 11.641 1.00 6.45 H new ATOM 0 HB2 PRO A 210 8.617 -13.141 14.474 1.00 6.85 H new ATOM 0 HB3 PRO A 210 7.793 -14.003 13.190 1.00 6.85 H new ATOM 0 HG2 PRO A 210 10.221 -14.772 13.993 1.00 7.16 H new ATOM 0 HG3 PRO A 210 9.777 -14.859 12.300 1.00 7.16 H new ATOM 0 HD2 PRO A 210 11.502 -12.815 13.697 1.00 7.08 H new ATOM 0 HD3 PRO A 210 11.713 -13.533 12.112 1.00 7.08 H new ATOM 900 N GLN A 211 9.192 -10.169 13.842 1.00 6.66 N ATOM 901 CA GLN A 211 8.862 -8.962 14.583 1.00 6.77 C ATOM 902 C GLN A 211 8.599 -7.804 13.624 1.00 6.45 C ATOM 903 O GLN A 211 7.672 -7.017 13.822 1.00 6.38 O ATOM 904 CB GLN A 211 10.000 -8.596 15.535 1.00 7.30 C ATOM 905 CG GLN A 211 9.562 -7.720 16.696 1.00 7.72 C ATOM 906 CD GLN A 211 10.711 -6.961 17.323 1.00 8.30 C ATOM 907 OE1 GLN A 211 10.948 -5.798 16.999 1.00 8.70 O ATOM 908 NE2 GLN A 211 11.444 -7.615 18.210 1.00 8.61 N ATOM 0 H GLN A 211 10.191 -10.367 13.787 1.00 6.66 H new ATOM 0 HA GLN A 211 7.960 -9.152 15.164 1.00 6.77 H new ATOM 0 HB2 GLN A 211 10.443 -9.511 15.928 1.00 7.30 H new ATOM 0 HB3 GLN A 211 10.780 -8.080 14.975 1.00 7.30 H new ATOM 0 HG2 GLN A 211 8.811 -7.011 16.347 1.00 7.72 H new ATOM 0 HG3 GLN A 211 9.086 -8.341 17.455 1.00 7.72 H new ATOM 0 HE21 GLN A 211 11.213 -8.579 18.451 1.00 8.61 H new ATOM 0 HE22 GLN A 211 12.239 -7.155 18.653 1.00 8.61 H new ATOM 917 N ASP A 212 9.407 -7.717 12.568 1.00 6.37 N ATOM 918 CA ASP A 212 9.261 -6.645 11.589 1.00 6.18 C ATOM 919 C ASP A 212 8.070 -6.917 10.686 1.00 5.63 C ATOM 920 O ASP A 212 7.397 -5.994 10.238 1.00 5.44 O ATOM 921 CB ASP A 212 10.518 -6.505 10.721 1.00 6.44 C ATOM 922 CG ASP A 212 11.807 -6.443 11.513 1.00 7.03 C ATOM 923 OD1 ASP A 212 11.965 -5.521 12.342 1.00 7.38 O ATOM 924 OD2 ASP A 212 12.680 -7.318 11.295 1.00 7.34 O1- ATOM 0 H ASP A 212 10.164 -8.372 12.371 1.00 6.37 H new ATOM 0 HA ASP A 212 9.108 -5.717 12.141 1.00 6.18 H new ATOM 0 HB2 ASP A 212 10.567 -7.348 10.031 1.00 6.44 H new ATOM 0 HB3 ASP A 212 10.431 -5.603 10.116 1.00 6.44 H new ATOM 929 N MET A 213 7.821 -8.197 10.434 1.00 5.47 N ATOM 930 CA MET A 213 6.720 -8.635 9.576 1.00 5.06 C ATOM 931 C MET A 213 5.386 -8.008 9.973 1.00 4.94 C ATOM 932 O MET A 213 4.718 -7.372 9.157 1.00 4.64 O ATOM 933 CB MET A 213 6.600 -10.155 9.631 1.00 5.15 C ATOM 934 CG MET A 213 6.975 -10.840 8.333 1.00 5.33 C ATOM 935 SD MET A 213 5.858 -10.413 6.982 1.00 5.56 S ATOM 936 CE MET A 213 6.661 -11.240 5.612 1.00 5.57 C ATOM 0 H MET A 213 8.375 -8.963 10.818 1.00 5.47 H new ATOM 0 HA MET A 213 6.950 -8.306 8.562 1.00 5.06 H new ATOM 0 HB2 MET A 213 7.239 -10.533 10.429 1.00 5.15 H new ATOM 0 HB3 MET A 213 5.575 -10.421 9.890 1.00 5.15 H new ATOM 0 HG2 MET A 213 7.993 -10.563 8.060 1.00 5.33 H new ATOM 0 HG3 MET A 213 6.967 -11.920 8.480 1.00 5.33 H new ATOM 0 HE1 MET A 213 6.185 -10.942 4.678 1.00 5.57 H new ATOM 0 HE2 MET A 213 7.715 -10.963 5.587 1.00 5.57 H new ATOM 0 HE3 MET A 213 6.573 -12.319 5.736 1.00 5.57 H new ATOM 946 N GLU A 214 5.011 -8.177 11.230 1.00 5.29 N ATOM 947 CA GLU A 214 3.748 -7.652 11.735 1.00 5.44 C ATOM 948 C GLU A 214 3.752 -6.125 11.796 1.00 5.41 C ATOM 949 O GLU A 214 2.717 -5.488 11.604 1.00 5.42 O ATOM 950 CB GLU A 214 3.454 -8.236 13.116 1.00 6.00 C ATOM 951 CG GLU A 214 3.120 -9.719 13.081 1.00 6.18 C ATOM 952 CD GLU A 214 1.822 -10.005 12.353 1.00 6.23 C ATOM 953 OE1 GLU A 214 0.770 -9.461 12.760 1.00 6.43 O ATOM 954 OE2 GLU A 214 1.839 -10.778 11.373 1.00 6.40 O1- ATOM 0 H GLU A 214 5.565 -8.677 11.925 1.00 5.29 H new ATOM 0 HA GLU A 214 2.962 -7.950 11.041 1.00 5.44 H new ATOM 0 HB2 GLU A 214 4.319 -8.080 13.761 1.00 6.00 H new ATOM 0 HB3 GLU A 214 2.621 -7.693 13.563 1.00 6.00 H new ATOM 0 HG2 GLU A 214 3.932 -10.260 12.595 1.00 6.18 H new ATOM 0 HG3 GLU A 214 3.051 -10.097 14.101 1.00 6.18 H new ATOM 961 N ALA A 215 4.923 -5.546 12.036 1.00 5.51 N ATOM 962 CA ALA A 215 5.052 -4.097 12.133 1.00 5.66 C ATOM 963 C ALA A 215 4.904 -3.428 10.769 1.00 5.27 C ATOM 964 O ALA A 215 4.336 -2.339 10.660 1.00 5.33 O ATOM 965 CB ALA A 215 6.385 -3.723 12.763 1.00 6.08 C ATOM 0 H ALA A 215 5.796 -6.057 12.167 1.00 5.51 H new ATOM 0 HA ALA A 215 4.245 -3.735 12.771 1.00 5.66 H new ATOM 0 HB1 ALA A 215 6.465 -2.638 12.828 1.00 6.08 H new ATOM 0 HB2 ALA A 215 6.448 -4.152 13.763 1.00 6.08 H new ATOM 0 HB3 ALA A 215 7.199 -4.111 12.150 1.00 6.08 H new ATOM 971 N ALA A 216 5.392 -4.094 9.727 1.00 4.95 N ATOM 972 CA ALA A 216 5.328 -3.558 8.375 1.00 4.66 C ATOM 973 C ALA A 216 3.894 -3.538 7.870 1.00 4.31 C ATOM 974 O ALA A 216 3.534 -2.728 7.012 1.00 4.17 O ATOM 975 CB ALA A 216 6.211 -4.374 7.440 1.00 4.61 C ATOM 0 H ALA A 216 5.837 -5.009 9.795 1.00 4.95 H new ATOM 0 HA ALA A 216 5.696 -2.532 8.395 1.00 4.66 H new ATOM 0 HB1 ALA A 216 6.153 -3.962 6.433 1.00 4.61 H new ATOM 0 HB2 ALA A 216 7.243 -4.336 7.789 1.00 4.61 H new ATOM 0 HB3 ALA A 216 5.870 -5.409 7.428 1.00 4.61 H new ATOM 981 N LYS A 217 3.072 -4.425 8.422 1.00 4.31 N ATOM 982 CA LYS A 217 1.676 -4.513 8.034 1.00 4.20 C ATOM 983 C LYS A 217 0.938 -3.225 8.387 1.00 4.42 C ATOM 984 O LYS A 217 0.087 -2.761 7.629 1.00 4.34 O ATOM 985 CB LYS A 217 1.006 -5.719 8.696 1.00 4.47 C ATOM 986 CG LYS A 217 1.495 -7.050 8.147 1.00 4.63 C ATOM 987 CD LYS A 217 0.822 -8.227 8.836 1.00 5.07 C ATOM 988 CE LYS A 217 1.291 -9.549 8.254 1.00 5.46 C ATOM 989 NZ LYS A 217 0.748 -10.714 9.000 1.00 5.88 N1+ ATOM 0 H LYS A 217 3.353 -5.092 9.140 1.00 4.31 H new ATOM 0 HA LYS A 217 1.629 -4.648 6.953 1.00 4.20 H new ATOM 0 HB2 LYS A 217 1.191 -5.686 9.770 1.00 4.47 H new ATOM 0 HB3 LYS A 217 -0.073 -5.650 8.556 1.00 4.47 H new ATOM 0 HG2 LYS A 217 1.299 -7.095 7.076 1.00 4.63 H new ATOM 0 HG3 LYS A 217 2.575 -7.122 8.277 1.00 4.63 H new ATOM 0 HD2 LYS A 217 1.040 -8.199 9.904 1.00 5.07 H new ATOM 0 HD3 LYS A 217 -0.260 -8.144 8.729 1.00 5.07 H new ATOM 0 HE2 LYS A 217 0.985 -9.613 7.210 1.00 5.46 H new ATOM 0 HE3 LYS A 217 2.380 -9.585 8.270 1.00 5.46 H new ATOM 0 HZ1 LYS A 217 1.246 -11.578 8.705 1.00 5.88 H new ATOM 0 HZ2 LYS A 217 0.885 -10.567 10.020 1.00 5.88 H new ATOM 0 HZ3 LYS A 217 -0.267 -10.813 8.798 1.00 5.88 H new ATOM 1003 N GLU A 218 1.286 -2.643 9.533 1.00 0.00 N ATOM 1004 CA GLU A 218 0.674 -1.389 9.962 1.00 0.00 C ATOM 1005 C GLU A 218 1.103 -0.246 9.074 1.00 0.00 C ATOM 1006 O GLU A 218 0.287 0.551 8.619 1.00 0.00 O ATOM 1007 CB GLU A 218 1.053 -1.099 11.443 1.00 0.00 C ATOM 1008 CG GLU A 218 0.495 -2.111 12.496 1.00 0.00 C ATOM 1009 CD GLU A 218 0.794 -1.863 13.963 1.00 0.00 C ATOM 1010 OE1 GLU A 218 1.966 -1.723 14.363 1.00 0.00 O ATOM 1011 OE2 GLU A 218 -0.190 -1.794 14.728 1.00 0.00 O1- ATOM 0 H GLU A 218 1.983 -3.017 10.176 1.00 0.00 H new ATOM 0 HA GLU A 218 -0.409 -1.486 9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 218 2.140 -1.081 11.524 1.00 0.00 H new ATOM 0 HB3 GLU A 218 0.698 -0.101 11.701 1.00 0.00 H new ATOM 0 HG2 GLU A 218 -0.588 -2.148 12.379 1.00 0.00 H new ATOM 0 HG3 GLU A 218 0.877 -3.100 12.242 1.00 0.00 H new ATOM 1018 N VAL A 219 2.410 -0.182 8.831 1.00 4.99 N ATOM 1019 CA VAL A 219 3.000 0.855 7.996 1.00 5.07 C ATOM 1020 C VAL A 219 2.346 0.880 6.616 1.00 4.71 C ATOM 1021 O VAL A 219 1.995 1.941 6.096 1.00 4.89 O ATOM 1022 CB VAL A 219 4.520 0.632 7.843 1.00 5.20 C ATOM 1023 CG1 VAL A 219 5.140 1.695 6.953 1.00 5.47 C ATOM 1024 CG2 VAL A 219 5.198 0.617 9.207 1.00 5.63 C ATOM 0 H VAL A 219 3.086 -0.847 9.207 1.00 4.99 H new ATOM 0 HA VAL A 219 2.828 1.813 8.486 1.00 5.07 H new ATOM 0 HB VAL A 219 4.672 -0.337 7.368 1.00 5.20 H new ATOM 0 HG11 VAL A 219 6.211 1.514 6.862 1.00 5.47 H new ATOM 0 HG12 VAL A 219 4.680 1.656 5.965 1.00 5.47 H new ATOM 0 HG13 VAL A 219 4.974 2.679 7.392 1.00 5.47 H new ATOM 0 HG21 VAL A 219 6.269 0.459 9.079 1.00 5.63 H new ATOM 0 HG22 VAL A 219 5.029 1.570 9.708 1.00 5.63 H new ATOM 0 HG23 VAL A 219 4.782 -0.189 9.811 1.00 5.63 H new ATOM 1034 N TYR A 220 2.163 -0.303 6.056 1.00 4.28 N ATOM 1035 CA TYR A 220 1.556 -0.468 4.741 1.00 4.00 C ATOM 1036 C TYR A 220 0.169 0.165 4.672 1.00 4.14 C ATOM 1037 O TYR A 220 -0.166 0.849 3.703 1.00 4.18 O ATOM 1038 CB TYR A 220 1.475 -1.959 4.428 1.00 3.69 C ATOM 1039 CG TYR A 220 0.842 -2.298 3.094 1.00 3.55 C ATOM 1040 CD1 TYR A 220 1.525 -2.088 1.901 1.00 3.97 C ATOM 1041 CD2 TYR A 220 -0.431 -2.849 3.032 1.00 3.52 C ATOM 1042 CE1 TYR A 220 0.951 -2.414 0.685 1.00 4.12 C ATOM 1043 CE2 TYR A 220 -1.010 -3.182 1.821 1.00 3.66 C ATOM 1044 CZ TYR A 220 -0.315 -2.962 0.652 1.00 3.85 C ATOM 1045 OH TYR A 220 -0.890 -3.301 -0.551 1.00 4.23 O ATOM 0 H TYR A 220 2.431 -1.181 6.500 1.00 4.28 H new ATOM 0 HA TYR A 220 2.174 0.041 4.002 1.00 4.00 H new ATOM 0 HB2 TYR A 220 2.482 -2.376 4.452 1.00 3.69 H new ATOM 0 HB3 TYR A 220 0.908 -2.451 5.218 1.00 3.69 H new ATOM 0 HD1 TYR A 220 2.518 -1.664 1.924 1.00 3.97 H new ATOM 0 HD2 TYR A 220 -0.979 -3.021 3.947 1.00 3.52 H new ATOM 0 HE1 TYR A 220 1.491 -2.240 -0.234 1.00 4.12 H new ATOM 0 HE2 TYR A 220 -2.000 -3.612 1.792 1.00 3.66 H new ATOM 0 HH TYR A 220 -1.782 -3.675 -0.393 1.00 4.23 H new ATOM 1055 N LYS A 221 -0.629 -0.048 5.710 1.00 4.37 N ATOM 1056 CA LYS A 221 -1.986 0.483 5.755 1.00 4.73 C ATOM 1057 C LYS A 221 -1.986 2.002 5.899 1.00 5.09 C ATOM 1058 O LYS A 221 -2.801 2.691 5.284 1.00 5.27 O ATOM 1059 CB LYS A 221 -2.767 -0.159 6.897 1.00 5.11 C ATOM 1060 CG LYS A 221 -2.906 -1.665 6.743 1.00 5.12 C ATOM 1061 CD LYS A 221 -3.822 -2.256 7.797 1.00 5.57 C ATOM 1062 CE LYS A 221 -3.984 -3.758 7.615 1.00 5.79 C ATOM 1063 NZ LYS A 221 -4.928 -4.339 8.604 1.00 6.17 N1+ ATOM 0 H LYS A 221 -0.360 -0.586 6.534 1.00 4.37 H new ATOM 0 HA LYS A 221 -2.473 0.238 4.811 1.00 4.73 H new ATOM 0 HB2 LYS A 221 -2.268 0.060 7.841 1.00 5.11 H new ATOM 0 HB3 LYS A 221 -3.759 0.289 6.949 1.00 5.11 H new ATOM 0 HG2 LYS A 221 -3.297 -1.895 5.752 1.00 5.12 H new ATOM 0 HG3 LYS A 221 -1.923 -2.130 6.814 1.00 5.12 H new ATOM 0 HD2 LYS A 221 -3.419 -2.050 8.788 1.00 5.57 H new ATOM 0 HD3 LYS A 221 -4.798 -1.774 7.744 1.00 5.57 H new ATOM 0 HE2 LYS A 221 -4.343 -3.965 6.607 1.00 5.79 H new ATOM 0 HE3 LYS A 221 -3.012 -4.242 7.713 1.00 5.79 H new ATOM 0 HZ1 LYS A 221 -5.010 -5.364 8.445 1.00 6.17 H new ATOM 0 HZ2 LYS A 221 -4.574 -4.165 9.566 1.00 6.17 H new ATOM 0 HZ3 LYS A 221 -5.862 -3.896 8.494 1.00 6.17 H new ATOM 1077 N ILE A 222 -1.072 2.520 6.708 1.00 5.30 N ATOM 1078 CA ILE A 222 -0.971 3.960 6.926 1.00 5.78 C ATOM 1079 C ILE A 222 -0.451 4.658 5.669 1.00 5.68 C ATOM 1080 O ILE A 222 -0.913 5.747 5.308 1.00 6.01 O ATOM 1081 CB ILE A 222 -0.057 4.267 8.132 1.00 6.15 C ATOM 1082 CG1 ILE A 222 -0.647 3.638 9.397 1.00 6.30 C ATOM 1083 CG2 ILE A 222 0.121 5.771 8.315 1.00 6.74 C ATOM 1084 CD1 ILE A 222 0.393 3.211 10.411 1.00 6.53 C ATOM 0 H ILE A 222 -0.389 1.966 7.225 1.00 5.30 H new ATOM 0 HA ILE A 222 -1.968 4.342 7.146 1.00 5.78 H new ATOM 0 HB ILE A 222 0.927 3.837 7.943 1.00 6.15 H new ATOM 0 HG12 ILE A 222 -1.324 4.353 9.865 1.00 6.30 H new ATOM 0 HG13 ILE A 222 -1.244 2.770 9.115 1.00 6.30 H new ATOM 0 HG21 ILE A 222 0.769 5.959 9.171 1.00 6.74 H new ATOM 0 HG22 ILE A 222 0.572 6.196 7.418 1.00 6.74 H new ATOM 0 HG23 ILE A 222 -0.851 6.234 8.487 1.00 6.74 H new ATOM 0 HD11 ILE A 222 -0.102 2.775 11.279 1.00 6.53 H new ATOM 0 HD12 ILE A 222 1.057 2.472 9.962 1.00 6.53 H new ATOM 0 HD13 ILE A 222 0.975 4.078 10.723 1.00 6.53 H new ATOM 1096 N HIS A 223 0.492 4.010 4.990 1.00 5.31 N ATOM 1097 CA HIS A 223 1.074 4.544 3.762 1.00 5.36 C ATOM 1098 C HIS A 223 0.019 4.621 2.664 1.00 5.26 C ATOM 1099 O HIS A 223 0.028 5.533 1.836 1.00 5.59 O ATOM 1100 CB HIS A 223 2.240 3.656 3.313 1.00 5.11 C ATOM 1101 CG HIS A 223 3.095 4.254 2.240 1.00 5.45 C ATOM 1102 ND1 HIS A 223 3.885 3.466 1.442 1.00 5.42 N ATOM 1103 CD2 HIS A 223 3.259 5.550 1.885 1.00 5.95 C ATOM 1104 CE1 HIS A 223 4.514 4.293 0.627 1.00 5.92 C ATOM 1105 NE2 HIS A 223 4.166 5.566 0.857 1.00 6.23 N ATOM 0 H HIS A 223 0.872 3.107 5.273 1.00 5.31 H new ATOM 0 HA HIS A 223 1.445 5.550 3.956 1.00 5.36 H new ATOM 0 HB2 HIS A 223 2.866 3.434 4.178 1.00 5.11 H new ATOM 0 HB3 HIS A 223 1.841 2.707 2.956 1.00 5.11 H new ATOM 0 HD2 HIS A 223 2.770 6.406 2.326 1.00 5.95 H new ATOM 0 HE1 HIS A 223 5.220 3.982 -0.129 1.00 5.92 H new ATOM 0 HE2 HIS A 223 4.510 6.389 0.362 1.00 6.23 H new ATOM 1113 N GLN A 224 -0.894 3.658 2.679 1.00 4.91 N ATOM 1114 CA GLN A 224 -1.977 3.593 1.705 1.00 4.90 C ATOM 1115 C GLN A 224 -2.823 4.862 1.751 1.00 5.38 C ATOM 1116 O GLN A 224 -3.338 5.314 0.728 1.00 5.57 O ATOM 1117 CB GLN A 224 -2.840 2.355 1.989 1.00 4.63 C ATOM 1118 CG GLN A 224 -4.089 2.233 1.129 1.00 4.79 C ATOM 1119 CD GLN A 224 -5.346 2.678 1.859 1.00 4.97 C ATOM 1120 OE1 GLN A 224 -5.928 1.922 2.635 1.00 5.09 O ATOM 1121 NE2 GLN A 224 -5.772 3.905 1.608 1.00 5.38 N ATOM 0 H GLN A 224 -0.905 2.902 3.364 1.00 4.91 H new ATOM 0 HA GLN A 224 -1.553 3.514 0.704 1.00 4.90 H new ATOM 0 HB2 GLN A 224 -2.229 1.464 1.845 1.00 4.63 H new ATOM 0 HB3 GLN A 224 -3.139 2.371 3.037 1.00 4.63 H new ATOM 0 HG2 GLN A 224 -3.965 2.833 0.227 1.00 4.79 H new ATOM 0 HG3 GLN A 224 -4.206 1.198 0.809 1.00 4.79 H new ATOM 0 HE21 GLN A 224 -5.259 4.500 0.957 1.00 5.38 H new ATOM 0 HE22 GLN A 224 -6.613 4.256 2.065 1.00 5.38 H new ATOM 1130 N GLN A 225 -2.947 5.442 2.935 1.00 5.66 N ATOM 1131 CA GLN A 225 -3.733 6.653 3.112 1.00 6.22 C ATOM 1132 C GLN A 225 -2.965 7.869 2.601 1.00 6.53 C ATOM 1133 O GLN A 225 -3.549 8.799 2.047 1.00 6.88 O ATOM 1134 CB GLN A 225 -4.096 6.823 4.586 1.00 6.56 C ATOM 1135 CG GLN A 225 -5.078 7.953 4.853 1.00 6.94 C ATOM 1136 CD GLN A 225 -5.745 7.838 6.210 1.00 7.36 C ATOM 1137 OE1 GLN A 225 -5.169 7.302 7.155 1.00 7.76 O ATOM 1138 NE2 GLN A 225 -6.965 8.337 6.314 1.00 7.56 N ATOM 0 H GLN A 225 -2.512 5.093 3.789 1.00 5.66 H new ATOM 0 HA GLN A 225 -4.652 6.567 2.532 1.00 6.22 H new ATOM 0 HB2 GLN A 225 -4.522 5.890 4.955 1.00 6.56 H new ATOM 0 HB3 GLN A 225 -3.185 7.005 5.156 1.00 6.56 H new ATOM 0 HG2 GLN A 225 -4.554 8.907 4.789 1.00 6.94 H new ATOM 0 HG3 GLN A 225 -5.842 7.956 4.076 1.00 6.94 H new ATOM 0 HE21 GLN A 225 -7.408 8.774 5.506 1.00 7.56 H new ATOM 0 HE22 GLN A 225 -7.463 8.285 7.203 1.00 7.56 H new ATOM 1147 N LEU A 226 -1.650 7.844 2.768 1.00 6.49 N ATOM 1148 CA LEU A 226 -0.799 8.940 2.325 1.00 6.92 C ATOM 1149 C LEU A 226 -0.802 9.043 0.803 1.00 6.85 C ATOM 1150 O LEU A 226 -0.876 10.139 0.243 1.00 7.28 O ATOM 1151 CB LEU A 226 0.634 8.737 2.821 1.00 7.02 C ATOM 1152 CG LEU A 226 1.634 9.801 2.362 1.00 7.62 C ATOM 1153 CD1 LEU A 226 1.676 10.957 3.349 1.00 7.93 C ATOM 1154 CD2 LEU A 226 3.017 9.194 2.183 1.00 8.09 C ATOM 0 H LEU A 226 -1.148 7.074 3.209 1.00 6.49 H new ATOM 0 HA LEU A 226 -1.196 9.865 2.743 1.00 6.92 H new ATOM 0 HB2 LEU A 226 0.625 8.714 3.911 1.00 7.02 H new ATOM 0 HB3 LEU A 226 0.984 7.761 2.484 1.00 7.02 H new ATOM 0 HG LEU A 226 1.305 10.188 1.398 1.00 7.62 H new ATOM 0 HD11 LEU A 226 2.393 11.703 3.005 1.00 7.93 H new ATOM 0 HD12 LEU A 226 0.687 11.410 3.421 1.00 7.93 H new ATOM 0 HD13 LEU A 226 1.978 10.588 4.329 1.00 7.93 H new ATOM 0 HD21 LEU A 226 3.714 9.966 1.856 1.00 8.09 H new ATOM 0 HD22 LEU A 226 3.356 8.776 3.131 1.00 8.09 H new ATOM 0 HD23 LEU A 226 2.973 8.404 1.433 1.00 8.09 H new ATOM 1166 N LEU A 227 -0.734 7.890 0.142 1.00 6.38 N ATOM 1167 CA LEU A 227 -0.723 7.840 -1.315 1.00 6.38 C ATOM 1168 C LEU A 227 -2.012 8.411 -1.892 1.00 6.51 C ATOM 1169 O LEU A 227 -2.011 9.001 -2.973 1.00 6.81 O ATOM 1170 CB LEU A 227 -0.519 6.407 -1.807 1.00 5.94 C ATOM 1171 CG LEU A 227 0.837 5.783 -1.464 1.00 5.92 C ATOM 1172 CD1 LEU A 227 0.949 4.394 -2.066 1.00 5.56 C ATOM 1173 CD2 LEU A 227 1.975 6.671 -1.954 1.00 6.51 C ATOM 0 H LEU A 227 -0.686 6.977 0.594 1.00 6.38 H new ATOM 0 HA LEU A 227 0.111 8.451 -1.661 1.00 6.38 H new ATOM 0 HB2 LEU A 227 -1.305 5.781 -1.386 1.00 5.94 H new ATOM 0 HB3 LEU A 227 -0.644 6.391 -2.890 1.00 5.94 H new ATOM 0 HG LEU A 227 0.912 5.697 -0.380 1.00 5.92 H new ATOM 0 HD11 LEU A 227 1.918 3.965 -1.813 1.00 5.56 H new ATOM 0 HD12 LEU A 227 0.156 3.760 -1.668 1.00 5.56 H new ATOM 0 HD13 LEU A 227 0.853 4.458 -3.150 1.00 5.56 H new ATOM 0 HD21 LEU A 227 2.930 6.211 -1.701 1.00 6.51 H new ATOM 0 HD22 LEU A 227 1.904 6.790 -3.035 1.00 6.51 H new ATOM 0 HD23 LEU A 227 1.905 7.648 -1.477 1.00 6.51 H new ATOM 1185 N PHE A 228 -3.108 8.245 -1.160 1.00 6.38 N ATOM 1186 CA PHE A 228 -4.399 8.753 -1.597 1.00 6.62 C ATOM 1187 C PHE A 228 -4.368 10.276 -1.680 1.00 7.17 C ATOM 1188 O PHE A 228 -4.871 10.868 -2.635 1.00 7.44 O ATOM 1189 CB PHE A 228 -5.500 8.297 -0.634 1.00 6.57 C ATOM 1190 CG PHE A 228 -6.888 8.614 -1.101 1.00 6.89 C ATOM 1191 CD1 PHE A 228 -7.472 7.886 -2.120 1.00 7.26 C ATOM 1192 CD2 PHE A 228 -7.608 9.636 -0.510 1.00 7.04 C ATOM 1193 CE1 PHE A 228 -8.750 8.174 -2.547 1.00 7.64 C ATOM 1194 CE2 PHE A 228 -8.888 9.928 -0.930 1.00 7.43 C ATOM 1195 CZ PHE A 228 -9.461 9.197 -1.952 1.00 7.67 C ATOM 0 H PHE A 228 -3.126 7.762 -0.262 1.00 6.38 H new ATOM 0 HA PHE A 228 -4.614 8.355 -2.589 1.00 6.62 H new ATOM 0 HB2 PHE A 228 -5.415 7.221 -0.485 1.00 6.57 H new ATOM 0 HB3 PHE A 228 -5.338 8.767 0.336 1.00 6.57 H new ATOM 0 HD1 PHE A 228 -6.921 7.083 -2.587 1.00 7.26 H new ATOM 0 HD2 PHE A 228 -7.163 10.211 0.289 1.00 7.04 H new ATOM 0 HE1 PHE A 228 -9.195 7.600 -3.346 1.00 7.64 H new ATOM 0 HE2 PHE A 228 -9.442 10.727 -0.460 1.00 7.43 H new ATOM 0 HZ PHE A 228 -10.463 9.425 -2.285 1.00 7.67 H new ATOM 1205 N LYS A 229 -3.745 10.899 -0.689 1.00 7.38 N ATOM 1206 CA LYS A 229 -3.647 12.353 -0.639 1.00 7.96 C ATOM 1207 C LYS A 229 -2.726 12.870 -1.741 1.00 8.17 C ATOM 1208 O LYS A 229 -2.946 13.947 -2.296 1.00 8.60 O ATOM 1209 CB LYS A 229 -3.115 12.808 0.719 1.00 8.19 C ATOM 1210 CG LYS A 229 -3.744 12.093 1.903 1.00 8.20 C ATOM 1211 CD LYS A 229 -3.166 12.588 3.214 1.00 8.62 C ATOM 1212 CE LYS A 229 -3.561 11.694 4.374 1.00 8.81 C ATOM 1213 NZ LYS A 229 -3.230 12.317 5.678 1.00 9.36 N1+ ATOM 0 H LYS A 229 -3.299 10.420 0.093 1.00 7.38 H new ATOM 0 HA LYS A 229 -4.647 12.761 -0.789 1.00 7.96 H new ATOM 0 HB2 LYS A 229 -2.037 12.652 0.745 1.00 8.19 H new ATOM 0 HB3 LYS A 229 -3.285 13.880 0.823 1.00 8.19 H new ATOM 0 HG2 LYS A 229 -4.822 12.251 1.895 1.00 8.20 H new ATOM 0 HG3 LYS A 229 -3.579 11.019 1.812 1.00 8.20 H new ATOM 0 HD2 LYS A 229 -2.079 12.629 3.140 1.00 8.62 H new ATOM 0 HD3 LYS A 229 -3.512 13.604 3.404 1.00 8.62 H new ATOM 0 HE2 LYS A 229 -4.631 11.489 4.329 1.00 8.81 H new ATOM 0 HE3 LYS A 229 -3.049 10.736 4.287 1.00 8.81 H new ATOM 0 HZ1 LYS A 229 -3.513 11.679 6.449 1.00 9.36 H new ATOM 0 HZ2 LYS A 229 -2.206 12.490 5.730 1.00 9.36 H new ATOM 0 HZ3 LYS A 229 -3.739 13.219 5.771 1.00 9.36 H new ATOM 1227 N ALA A 230 -1.693 12.093 -2.050 1.00 7.94 N ATOM 1228 CA ALA A 230 -0.732 12.465 -3.082 1.00 8.24 C ATOM 1229 C ALA A 230 -1.391 12.506 -4.454 1.00 8.26 C ATOM 1230 O ALA A 230 -0.998 13.286 -5.323 1.00 8.69 O ATOM 1231 CB ALA A 230 0.441 11.494 -3.082 1.00 8.09 C ATOM 0 H ALA A 230 -1.500 11.199 -1.599 1.00 7.94 H new ATOM 0 HA ALA A 230 -0.361 13.465 -2.859 1.00 8.24 H new ATOM 0 HB1 ALA A 230 1.152 11.782 -3.857 1.00 8.09 H new ATOM 0 HB2 ALA A 230 0.934 11.519 -2.110 1.00 8.09 H new ATOM 0 HB3 ALA A 230 0.078 10.485 -3.279 1.00 8.09 H new ATOM 1603 N ASN B 116 0.699 -16.930 6.637 1.00 11.51 N ATOM 1604 CA ASN B 116 0.706 -16.480 5.244 1.00 10.99 C ATOM 1605 C ASN B 116 1.201 -15.038 5.113 1.00 10.00 C ATOM 1606 O ASN B 116 0.904 -14.359 4.133 1.00 9.54 O ATOM 1607 CB ASN B 116 -0.694 -16.601 4.633 1.00 11.43 C ATOM 1608 CG ASN B 116 -1.035 -18.024 4.239 1.00 11.80 C ATOM 1609 OD1 ASN B 116 -0.759 -18.456 3.116 1.00 12.04 O ATOM 1610 ND2 ASN B 116 -1.639 -18.764 5.155 1.00 12.05 N ATOM 0 HA ASN B 116 1.397 -17.126 4.702 1.00 10.99 H new ATOM 0 HB2 ASN B 116 -1.432 -16.239 5.349 1.00 11.43 H new ATOM 0 HB3 ASN B 116 -0.760 -15.959 3.755 1.00 11.43 H new ATOM 0 HD21 ASN B 116 -1.894 -19.729 4.944 1.00 12.05 H new ATOM 0 HD22 ASN B 116 -1.850 -18.369 6.072 1.00 12.05 H new ATOM 1617 N SER B 117 1.976 -14.582 6.085 1.00 9.85 N ATOM 1618 CA SER B 117 2.508 -13.228 6.064 1.00 9.09 C ATOM 1619 C SER B 117 3.569 -13.085 4.971 1.00 8.48 C ATOM 1620 O SER B 117 3.700 -12.027 4.361 1.00 7.94 O ATOM 1621 CB SER B 117 3.095 -12.876 7.435 1.00 9.58 C ATOM 1622 OG SER B 117 2.137 -13.074 8.465 1.00 10.42 O ATOM 0 H SER B 117 2.251 -15.131 6.900 1.00 9.85 H new ATOM 0 HA SER B 117 1.697 -12.535 5.842 1.00 9.09 H new ATOM 0 HB2 SER B 117 3.974 -13.492 7.627 1.00 9.58 H new ATOM 0 HB3 SER B 117 3.427 -11.838 7.437 1.00 9.58 H new ATOM 0 HG SER B 117 2.535 -12.845 9.331 1.00 10.42 H new ATOM 1628 N LYS B 118 4.301 -14.168 4.714 1.00 8.71 N ATOM 1629 CA LYS B 118 5.344 -14.172 3.688 1.00 8.32 C ATOM 1630 C LYS B 118 4.742 -13.966 2.295 1.00 7.50 C ATOM 1631 O LYS B 118 5.427 -13.549 1.357 1.00 7.07 O ATOM 1632 CB LYS B 118 6.121 -15.490 3.744 1.00 9.09 C ATOM 1633 CG LYS B 118 7.257 -15.580 2.735 1.00 9.49 C ATOM 1634 CD LYS B 118 8.012 -16.894 2.854 1.00 10.17 C ATOM 1635 CE LYS B 118 8.977 -17.086 1.699 1.00 10.68 C ATOM 1636 NZ LYS B 118 9.879 -18.243 1.922 1.00 11.16 N1+ ATOM 0 H LYS B 118 4.191 -15.056 5.203 1.00 8.71 H new ATOM 0 HA LYS B 118 6.027 -13.346 3.884 1.00 8.32 H new ATOM 0 HB2 LYS B 118 6.528 -15.618 4.747 1.00 9.09 H new ATOM 0 HB3 LYS B 118 5.430 -16.315 3.573 1.00 9.09 H new ATOM 0 HG2 LYS B 118 6.856 -15.481 1.726 1.00 9.49 H new ATOM 0 HG3 LYS B 118 7.946 -14.749 2.888 1.00 9.49 H new ATOM 0 HD2 LYS B 118 8.561 -16.916 3.796 1.00 10.17 H new ATOM 0 HD3 LYS B 118 7.303 -17.722 2.879 1.00 10.17 H new ATOM 0 HE2 LYS B 118 8.415 -17.235 0.777 1.00 10.68 H new ATOM 0 HE3 LYS B 118 9.571 -16.182 1.567 1.00 10.68 H new ATOM 0 HZ1 LYS B 118 10.523 -18.342 1.112 1.00 11.16 H new ATOM 0 HZ2 LYS B 118 10.433 -18.089 2.788 1.00 11.16 H new ATOM 0 HZ3 LYS B 118 9.313 -19.110 2.022 1.00 11.16 H new ATOM 1650 N GLU B 119 3.451 -14.242 2.167 1.00 7.48 N ATOM 1651 CA GLU B 119 2.766 -14.085 0.894 1.00 6.99 C ATOM 1652 C GLU B 119 2.463 -12.617 0.623 1.00 6.13 C ATOM 1653 O GLU B 119 2.264 -12.212 -0.522 1.00 5.77 O ATOM 1654 CB GLU B 119 1.472 -14.900 0.880 1.00 7.65 C ATOM 1655 CG GLU B 119 1.701 -16.400 0.965 1.00 8.43 C ATOM 1656 CD GLU B 119 2.662 -16.902 -0.096 1.00 9.01 C ATOM 1657 OE1 GLU B 119 3.886 -16.849 0.135 1.00 9.34 O ATOM 1658 OE2 GLU B 119 2.193 -17.349 -1.166 1.00 9.37 O1- ATOM 0 H GLU B 119 2.859 -14.575 2.928 1.00 7.48 H new ATOM 0 HA GLU B 119 3.423 -14.454 0.106 1.00 6.99 H new ATOM 0 HB2 GLU B 119 0.846 -14.588 1.716 1.00 7.65 H new ATOM 0 HB3 GLU B 119 0.920 -14.676 -0.033 1.00 7.65 H new ATOM 0 HG2 GLU B 119 2.092 -16.649 1.952 1.00 8.43 H new ATOM 0 HG3 GLU B 119 0.747 -16.916 0.860 1.00 8.43 H new ATOM 1665 N TRP B 120 2.443 -11.824 1.687 1.00 6.01 N ATOM 1666 CA TRP B 120 2.172 -10.399 1.577 1.00 5.38 C ATOM 1667 C TRP B 120 3.366 -9.677 0.959 1.00 4.90 C ATOM 1668 O TRP B 120 3.204 -8.743 0.172 1.00 4.43 O ATOM 1669 CB TRP B 120 1.841 -9.808 2.954 1.00 5.80 C ATOM 1670 CG TRP B 120 1.790 -8.313 2.966 1.00 5.98 C ATOM 1671 CD1 TRP B 120 0.805 -7.524 2.449 1.00 6.39 C ATOM 1672 CD2 TRP B 120 2.773 -7.430 3.512 1.00 6.18 C ATOM 1673 NE1 TRP B 120 1.117 -6.202 2.636 1.00 6.78 N ATOM 1674 CE2 TRP B 120 2.322 -6.119 3.285 1.00 6.64 C ATOM 1675 CE3 TRP B 120 3.996 -7.622 4.168 1.00 6.35 C ATOM 1676 CZ2 TRP B 120 3.046 -5.007 3.691 1.00 7.17 C ATOM 1677 CZ3 TRP B 120 4.712 -6.512 4.572 1.00 6.93 C ATOM 1678 CH2 TRP B 120 4.236 -5.220 4.328 1.00 7.28 C ATOM 0 H TRP B 120 2.612 -12.147 2.640 1.00 6.01 H new ATOM 0 HA TRP B 120 1.309 -10.260 0.926 1.00 5.38 H new ATOM 0 HB2 TRP B 120 0.879 -10.199 3.287 1.00 5.80 H new ATOM 0 HB3 TRP B 120 2.588 -10.144 3.674 1.00 5.80 H new ATOM 0 HD1 TRP B 120 -0.089 -7.887 1.964 1.00 6.39 H new ATOM 0 HE1 TRP B 120 0.546 -5.410 2.341 1.00 6.78 H new ATOM 0 HE3 TRP B 120 4.371 -8.617 4.354 1.00 6.35 H new ATOM 0 HZ2 TRP B 120 2.681 -4.007 3.510 1.00 7.17 H new ATOM 0 HZ3 TRP B 120 5.654 -6.644 5.084 1.00 6.93 H new ATOM 0 HH2 TRP B 120 4.822 -4.372 4.650 1.00 7.28 H new ATOM 1689 N THR B 121 4.567 -10.128 1.294 1.00 5.33 N ATOM 1690 CA THR B 121 5.780 -9.518 0.768 1.00 5.34 C ATOM 1691 C THR B 121 5.977 -9.861 -0.709 1.00 5.03 C ATOM 1692 O THR B 121 6.894 -9.361 -1.360 1.00 5.08 O ATOM 1693 CB THR B 121 7.011 -9.945 1.584 1.00 6.28 C ATOM 1694 OG1 THR B 121 6.781 -11.235 2.171 1.00 6.81 O ATOM 1695 CG2 THR B 121 7.305 -8.928 2.680 1.00 6.77 C ATOM 0 H THR B 121 4.727 -10.912 1.926 1.00 5.33 H new ATOM 0 HA THR B 121 5.667 -8.437 0.855 1.00 5.34 H new ATOM 0 HB THR B 121 7.870 -9.997 0.916 1.00 6.28 H new ATOM 0 HG1 THR B 121 6.374 -11.829 1.506 1.00 6.81 H new ATOM 0 HG21 THR B 121 8.179 -9.247 3.247 1.00 6.77 H new ATOM 0 HG22 THR B 121 7.499 -7.954 2.230 1.00 6.77 H new ATOM 0 HG23 THR B 121 6.447 -8.854 3.348 1.00 6.77 H new ATOM 1703 N SER B 122 5.110 -10.721 -1.227 1.00 5.01 N ATOM 1704 CA SER B 122 5.148 -11.118 -2.627 1.00 4.99 C ATOM 1705 C SER B 122 3.835 -10.721 -3.303 1.00 4.55 C ATOM 1706 O SER B 122 3.461 -11.263 -4.342 1.00 4.76 O ATOM 1707 CB SER B 122 5.370 -12.630 -2.742 1.00 5.61 C ATOM 1708 OG SER B 122 6.281 -13.091 -1.752 1.00 6.23 O ATOM 0 H SER B 122 4.363 -11.161 -0.690 1.00 5.01 H new ATOM 0 HA SER B 122 5.975 -10.610 -3.124 1.00 4.99 H new ATOM 0 HB2 SER B 122 4.418 -13.150 -2.634 1.00 5.61 H new ATOM 0 HB3 SER B 122 5.754 -12.870 -3.734 1.00 5.61 H new ATOM 0 HG SER B 122 5.821 -13.157 -0.889 1.00 6.23 H new ATOM 1714 N LEU B 123 3.146 -9.758 -2.694 1.00 4.24 N ATOM 1715 CA LEU B 123 1.856 -9.279 -3.189 1.00 4.22 C ATOM 1716 C LEU B 123 1.967 -8.578 -4.543 1.00 4.10 C ATOM 1717 O LEU B 123 1.358 -9.006 -5.521 1.00 4.50 O ATOM 1718 CB LEU B 123 1.228 -8.331 -2.161 1.00 4.40 C ATOM 1719 CG LEU B 123 -0.087 -7.668 -2.584 1.00 5.14 C ATOM 1720 CD1 LEU B 123 -1.210 -8.694 -2.674 1.00 5.74 C ATOM 1721 CD2 LEU B 123 -0.459 -6.557 -1.611 1.00 5.71 C ATOM 0 H LEU B 123 3.464 -9.289 -1.846 1.00 4.24 H new ATOM 0 HA LEU B 123 1.220 -10.153 -3.333 1.00 4.22 H new ATOM 0 HB2 LEU B 123 1.053 -8.888 -1.240 1.00 4.40 H new ATOM 0 HB3 LEU B 123 1.950 -7.548 -1.928 1.00 4.40 H new ATOM 0 HG LEU B 123 0.055 -7.233 -3.573 1.00 5.14 H new ATOM 0 HD11 LEU B 123 -2.133 -8.198 -2.976 1.00 5.74 H new ATOM 0 HD12 LEU B 123 -0.949 -9.455 -3.410 1.00 5.74 H new ATOM 0 HD13 LEU B 123 -1.352 -9.164 -1.701 1.00 5.74 H new ATOM 0 HD21 LEU B 123 -1.395 -6.096 -1.926 1.00 5.71 H new ATOM 0 HD22 LEU B 123 -0.578 -6.974 -0.611 1.00 5.71 H new ATOM 0 HD23 LEU B 123 0.330 -5.805 -1.599 1.00 5.71 H new