USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=10 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 220 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 224 GLN : amide:sc= -1.92 K(o=-1.9,f=-0.67) USER MOD Set 2.1: A 173 MET CE :methyl -165:sc= -1.24 (180deg=-1.55) USER MOD Set 2.2: A 223 HIS : no HD1:sc= 0.717 K(o=-0.53,f=-7.8!) USER MOD Set 3.1: A 171 ASN : amide:sc= 1.47 K(o=2.9,f=-8.1!) USER MOD Set 3.2: A 172 GLN : amide:sc= 0.121 K(o=2.9,f=-3.4!) USER MOD Set 3.3: A 174 LYS NZ :NH3+ 164:sc= 1.27 (180deg=0) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 GLN : amide:sc= -0.212! C(o=-0.21!,f=-4.4!) USER MOD Single : A 184 GLN : amide:sc= 0.165 X(o=0.16,f=-0.00073) USER MOD Single : A 188 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 192 ASN : amide:sc=-0.00118 X(o=-0.0012,f=-0.049) USER MOD Single : A 194 ASN : amide:sc= -0.708 K(o=-0.71,f=-3!) USER MOD Single : A 195 THR OG1 : rot 180:sc= 0.00677 USER MOD Single : A 197 GLN : amide:sc= 1.13 K(o=1.1,f=-0.69) USER MOD Single : A 198 GLN : amide:sc= -2.24! C(o=-2.2!,f=-7.9!) USER MOD Single : A 200 THR OG1 : rot -91:sc= 1.27 USER MOD Single : A 204 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 205 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.8!) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 THR OG1 : rot -79:sc= 0.694 USER MOD Single : A 211 GLN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 213 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 217 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.17) USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 116 ASN : amide:sc= -0.0906 K(o=-0.091,f=-1) USER MOD Single : B 117 SER OG : rot 180:sc= 0 USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 121 THR OG1 : rot 180:sc= 0.00214 USER MOD Single : B 122 SER OG : rot 70:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 169 -5.741 2.412 -7.334 1.00 5.81 N ATOM 201 CA LEU A 169 -5.241 2.488 -5.970 1.00 5.44 C ATOM 202 C LEU A 169 -4.051 1.559 -5.802 1.00 5.18 C ATOM 203 O LEU A 169 -3.038 1.927 -5.206 1.00 5.07 O ATOM 204 CB LEU A 169 -6.338 2.120 -4.964 1.00 5.36 C ATOM 205 CG LEU A 169 -7.567 3.032 -4.971 1.00 5.65 C ATOM 206 CD1 LEU A 169 -8.621 2.512 -4.005 1.00 5.76 C ATOM 207 CD2 LEU A 169 -7.183 4.461 -4.613 1.00 5.82 C ATOM 0 HA LEU A 169 -4.928 3.514 -5.776 1.00 5.44 H new ATOM 0 HB2 LEU A 169 -6.663 1.099 -5.164 1.00 5.36 H new ATOM 0 HB3 LEU A 169 -5.907 2.127 -3.963 1.00 5.36 H new ATOM 0 HG LEU A 169 -7.984 3.031 -5.978 1.00 5.65 H new ATOM 0 HD11 LEU A 169 -9.488 3.172 -4.023 1.00 5.76 H new ATOM 0 HD12 LEU A 169 -8.923 1.508 -4.302 1.00 5.76 H new ATOM 0 HD13 LEU A 169 -8.208 2.483 -2.997 1.00 5.76 H new ATOM 0 HD21 LEU A 169 -8.073 5.091 -4.624 1.00 5.82 H new ATOM 0 HD22 LEU A 169 -6.738 4.480 -3.618 1.00 5.82 H new ATOM 0 HD23 LEU A 169 -6.463 4.837 -5.340 1.00 5.82 H new ATOM 219 N VAL A 170 -4.176 0.357 -6.349 1.00 5.20 N ATOM 220 CA VAL A 170 -3.108 -0.622 -6.263 1.00 5.06 C ATOM 221 C VAL A 170 -1.999 -0.309 -7.260 1.00 5.34 C ATOM 222 O VAL A 170 -0.831 -0.625 -7.025 1.00 5.28 O ATOM 223 CB VAL A 170 -3.616 -2.060 -6.499 1.00 5.24 C ATOM 224 CG1 VAL A 170 -4.381 -2.562 -5.287 1.00 5.25 C ATOM 225 CG2 VAL A 170 -4.481 -2.142 -7.747 1.00 5.42 C ATOM 0 H VAL A 170 -5.004 0.040 -6.854 1.00 5.20 H new ATOM 0 HA VAL A 170 -2.713 -0.561 -5.249 1.00 5.06 H new ATOM 0 HB VAL A 170 -2.747 -2.700 -6.651 1.00 5.24 H new ATOM 0 HG11 VAL A 170 -4.731 -3.577 -5.473 1.00 5.25 H new ATOM 0 HG12 VAL A 170 -3.726 -2.558 -4.416 1.00 5.25 H new ATOM 0 HG13 VAL A 170 -5.236 -1.912 -5.101 1.00 5.25 H new ATOM 0 HG21 VAL A 170 -4.823 -3.168 -7.886 1.00 5.42 H new ATOM 0 HG22 VAL A 170 -5.343 -1.484 -7.636 1.00 5.42 H new ATOM 0 HG23 VAL A 170 -3.898 -1.834 -8.615 1.00 5.42 H new ATOM 235 N ASN A 171 -2.373 0.323 -8.366 1.00 5.77 N ATOM 236 CA ASN A 171 -1.422 0.691 -9.409 1.00 6.24 C ATOM 237 C ASN A 171 -0.430 1.738 -8.910 1.00 6.25 C ATOM 238 O ASN A 171 0.739 1.732 -9.289 1.00 6.59 O ATOM 239 CB ASN A 171 -2.163 1.222 -10.637 1.00 6.76 C ATOM 240 CG ASN A 171 -1.246 1.440 -11.825 1.00 7.31 C ATOM 241 OD1 ASN A 171 -0.856 0.488 -12.503 1.00 7.47 O ATOM 242 ND2 ASN A 171 -0.896 2.688 -12.090 1.00 7.80 N ATOM 0 H ASN A 171 -3.336 0.593 -8.565 1.00 5.77 H new ATOM 0 HA ASN A 171 -0.864 -0.204 -9.683 1.00 6.24 H new ATOM 0 HB2 ASN A 171 -2.949 0.519 -10.914 1.00 6.76 H new ATOM 0 HB3 ASN A 171 -2.652 2.163 -10.383 1.00 6.76 H new ATOM 0 HD21 ASN A 171 -0.282 2.889 -12.880 1.00 7.80 H new ATOM 0 HD22 ASN A 171 -1.240 3.449 -11.505 1.00 7.80 H new ATOM 249 N GLN A 172 -0.898 2.633 -8.048 1.00 6.00 N ATOM 250 CA GLN A 172 -0.039 3.680 -7.511 1.00 6.13 C ATOM 251 C GLN A 172 0.815 3.141 -6.370 1.00 5.80 C ATOM 252 O GLN A 172 1.853 3.707 -6.031 1.00 6.06 O ATOM 253 CB GLN A 172 -0.868 4.870 -7.029 1.00 6.13 C ATOM 254 CG GLN A 172 -1.617 5.582 -8.146 1.00 6.58 C ATOM 255 CD GLN A 172 -0.754 5.826 -9.369 1.00 6.95 C ATOM 256 OE1 GLN A 172 -0.698 5.000 -10.283 1.00 7.27 O ATOM 257 NE2 GLN A 172 -0.083 6.965 -9.397 1.00 7.22 N ATOM 0 H GLN A 172 -1.860 2.655 -7.708 1.00 6.00 H new ATOM 0 HA GLN A 172 0.619 4.018 -8.312 1.00 6.13 H new ATOM 0 HB2 GLN A 172 -1.585 4.525 -6.284 1.00 6.13 H new ATOM 0 HB3 GLN A 172 -0.210 5.583 -6.532 1.00 6.13 H new ATOM 0 HG2 GLN A 172 -2.485 4.988 -8.432 1.00 6.58 H new ATOM 0 HG3 GLN A 172 -1.992 6.536 -7.775 1.00 6.58 H new ATOM 0 HE21 GLN A 172 -0.158 7.620 -8.619 1.00 7.22 H new ATOM 0 HE22 GLN A 172 0.510 7.188 -10.197 1.00 7.22 H new ATOM 266 N MET A 173 0.375 2.032 -5.795 1.00 5.33 N ATOM 267 CA MET A 173 1.086 1.405 -4.690 1.00 5.03 C ATOM 268 C MET A 173 2.076 0.359 -5.198 1.00 5.21 C ATOM 269 O MET A 173 2.561 -0.475 -4.435 1.00 5.01 O ATOM 270 CB MET A 173 0.091 0.756 -3.728 1.00 4.54 C ATOM 271 CG MET A 173 0.196 1.275 -2.306 1.00 4.49 C ATOM 272 SD MET A 173 1.820 0.997 -1.582 1.00 4.57 S ATOM 273 CE MET A 173 1.553 1.594 0.085 1.00 4.49 C ATOM 0 H MET A 173 -0.476 1.545 -6.077 1.00 5.33 H new ATOM 0 HA MET A 173 1.645 2.178 -4.163 1.00 5.03 H new ATOM 0 HB2 MET A 173 -0.921 0.927 -4.095 1.00 4.54 H new ATOM 0 HB3 MET A 173 0.251 -0.322 -3.725 1.00 4.54 H new ATOM 0 HG2 MET A 173 -0.023 2.343 -2.296 1.00 4.49 H new ATOM 0 HG3 MET A 173 -0.560 0.789 -1.690 1.00 4.49 H new ATOM 0 HE1 MET A 173 2.514 1.740 0.578 1.00 4.49 H new ATOM 0 HE2 MET A 173 1.016 2.542 0.050 1.00 4.49 H new ATOM 0 HE3 MET A 173 0.966 0.865 0.643 1.00 4.49 H new ATOM 283 N LYS A 174 2.361 0.399 -6.493 1.00 5.68 N ATOM 284 CA LYS A 174 3.293 -0.540 -7.099 1.00 6.02 C ATOM 285 C LYS A 174 4.729 -0.106 -6.839 1.00 6.49 C ATOM 286 O LYS A 174 5.535 -0.868 -6.303 1.00 6.55 O ATOM 287 CB LYS A 174 3.041 -0.651 -8.604 1.00 6.45 C ATOM 288 CG LYS A 174 1.813 -1.475 -8.953 1.00 6.44 C ATOM 289 CD LYS A 174 1.556 -1.483 -10.449 1.00 6.92 C ATOM 290 CE LYS A 174 0.369 -2.364 -10.811 1.00 7.15 C ATOM 291 NZ LYS A 174 -0.072 -2.151 -12.213 1.00 7.76 N1+ ATOM 0 H LYS A 174 1.959 1.073 -7.144 1.00 5.68 H new ATOM 0 HA LYS A 174 3.135 -1.519 -6.646 1.00 6.02 H new ATOM 0 HB2 LYS A 174 2.928 0.350 -9.020 1.00 6.45 H new ATOM 0 HB3 LYS A 174 3.915 -1.097 -9.079 1.00 6.45 H new ATOM 0 HG2 LYS A 174 1.947 -2.498 -8.600 1.00 6.44 H new ATOM 0 HG3 LYS A 174 0.943 -1.071 -8.435 1.00 6.44 H new ATOM 0 HD2 LYS A 174 1.372 -0.465 -10.792 1.00 6.92 H new ATOM 0 HD3 LYS A 174 2.445 -1.839 -10.969 1.00 6.92 H new ATOM 0 HE2 LYS A 174 0.638 -3.411 -10.670 1.00 7.15 H new ATOM 0 HE3 LYS A 174 -0.459 -2.154 -10.134 1.00 7.15 H new ATOM 0 HZ1 LYS A 174 -0.686 -2.937 -12.507 1.00 7.76 H new ATOM 0 HZ2 LYS A 174 -0.599 -1.257 -12.279 1.00 7.76 H new ATOM 0 HZ3 LYS A 174 0.760 -2.109 -12.836 1.00 7.76 H new ATOM 305 N VAL A 175 5.045 1.121 -7.220 1.00 6.90 N ATOM 306 CA VAL A 175 6.379 1.663 -7.017 1.00 7.46 C ATOM 307 C VAL A 175 6.304 2.973 -6.249 1.00 7.44 C ATOM 308 O VAL A 175 6.302 4.054 -6.835 1.00 7.78 O ATOM 309 CB VAL A 175 7.128 1.895 -8.349 1.00 8.18 C ATOM 310 CG1 VAL A 175 7.969 0.679 -8.703 1.00 8.62 C ATOM 311 CG2 VAL A 175 6.155 2.223 -9.474 1.00 8.33 C ATOM 0 H VAL A 175 4.394 1.762 -7.673 1.00 6.90 H new ATOM 0 HA VAL A 175 6.937 0.923 -6.443 1.00 7.46 H new ATOM 0 HB VAL A 175 7.792 2.750 -8.221 1.00 8.18 H new ATOM 0 HG11 VAL A 175 8.490 0.858 -9.643 1.00 8.62 H new ATOM 0 HG12 VAL A 175 8.698 0.498 -7.913 1.00 8.62 H new ATOM 0 HG13 VAL A 175 7.323 -0.193 -8.807 1.00 8.62 H new ATOM 0 HG21 VAL A 175 6.709 2.381 -10.399 1.00 8.33 H new ATOM 0 HG22 VAL A 175 5.458 1.395 -9.605 1.00 8.33 H new ATOM 0 HG23 VAL A 175 5.601 3.127 -9.223 1.00 8.33 H new ATOM 321 N ALA A 176 6.234 2.866 -4.936 1.00 7.10 N ATOM 322 CA ALA A 176 6.162 4.036 -4.079 1.00 7.14 C ATOM 323 C ALA A 176 7.182 3.941 -2.948 1.00 7.24 C ATOM 324 O ALA A 176 7.367 2.873 -2.369 1.00 6.92 O ATOM 325 CB ALA A 176 4.756 4.184 -3.517 1.00 6.59 C ATOM 0 H ALA A 176 6.225 1.977 -4.437 1.00 7.10 H new ATOM 0 HA ALA A 176 6.398 4.918 -4.674 1.00 7.14 H new ATOM 0 HB1 ALA A 176 4.711 5.064 -2.875 1.00 6.59 H new ATOM 0 HB2 ALA A 176 4.046 4.296 -4.337 1.00 6.59 H new ATOM 0 HB3 ALA A 176 4.501 3.298 -2.936 1.00 6.59 H new ATOM 331 N PRO A 177 7.914 5.032 -2.669 1.00 7.75 N ATOM 332 CA PRO A 177 8.890 5.074 -1.585 1.00 7.96 C ATOM 333 C PRO A 177 8.241 5.425 -0.247 1.00 7.58 C ATOM 334 O PRO A 177 7.346 6.274 -0.180 1.00 7.42 O ATOM 335 CB PRO A 177 9.867 6.180 -2.017 1.00 8.76 C ATOM 336 CG PRO A 177 9.274 6.835 -3.230 1.00 8.86 C ATOM 337 CD PRO A 177 7.872 6.309 -3.389 1.00 8.23 C ATOM 0 HA PRO A 177 9.371 4.108 -1.430 1.00 7.96 H new ATOM 0 HB2 PRO A 177 10.008 6.906 -1.216 1.00 8.76 H new ATOM 0 HB3 PRO A 177 10.848 5.762 -2.244 1.00 8.76 H new ATOM 0 HG2 PRO A 177 9.266 7.919 -3.115 1.00 8.86 H new ATOM 0 HG3 PRO A 177 9.870 6.613 -4.115 1.00 8.86 H new ATOM 0 HD2 PRO A 177 7.135 6.989 -2.962 1.00 8.23 H new ATOM 0 HD3 PRO A 177 7.609 6.172 -4.438 1.00 8.23 H new ATOM 345 N ILE A 178 8.696 4.769 0.805 1.00 7.53 N ATOM 346 CA ILE A 178 8.188 4.997 2.150 1.00 7.29 C ATOM 347 C ILE A 178 8.657 6.349 2.683 1.00 7.90 C ATOM 348 O ILE A 178 9.858 6.638 2.679 1.00 8.45 O ATOM 349 CB ILE A 178 8.660 3.879 3.100 1.00 7.03 C ATOM 350 CG1 ILE A 178 8.298 2.516 2.513 1.00 6.56 C ATOM 351 CG2 ILE A 178 8.049 4.049 4.483 1.00 6.79 C ATOM 352 CD1 ILE A 178 9.168 1.392 3.029 1.00 6.69 C ATOM 0 H ILE A 178 9.429 4.062 0.753 1.00 7.53 H new ATOM 0 HA ILE A 178 7.099 4.993 2.103 1.00 7.29 H new ATOM 0 HB ILE A 178 9.743 3.942 3.205 1.00 7.03 H new ATOM 0 HG12 ILE A 178 7.256 2.294 2.743 1.00 6.56 H new ATOM 0 HG13 ILE A 178 8.382 2.562 1.427 1.00 6.56 H new ATOM 0 HG21 ILE A 178 8.397 3.248 5.135 1.00 6.79 H new ATOM 0 HG22 ILE A 178 8.349 5.011 4.898 1.00 6.79 H new ATOM 0 HG23 ILE A 178 6.962 4.010 4.408 1.00 6.79 H new ATOM 0 HD11 ILE A 178 8.857 0.452 2.572 1.00 6.69 H new ATOM 0 HD12 ILE A 178 10.209 1.592 2.776 1.00 6.69 H new ATOM 0 HD13 ILE A 178 9.065 1.320 4.112 1.00 6.69 H new ATOM 364 N PRO A 179 7.715 7.211 3.116 1.00 7.89 N ATOM 365 CA PRO A 179 8.041 8.534 3.661 1.00 8.51 C ATOM 366 C PRO A 179 8.883 8.460 4.927 1.00 8.75 C ATOM 367 O PRO A 179 8.918 7.436 5.611 1.00 8.38 O ATOM 368 CB PRO A 179 6.674 9.148 3.985 1.00 8.36 C ATOM 369 CG PRO A 179 5.704 8.373 3.174 1.00 7.74 C ATOM 370 CD PRO A 179 6.261 6.982 3.076 1.00 7.36 C ATOM 0 HA PRO A 179 8.632 9.114 2.952 1.00 8.51 H new ATOM 0 HB2 PRO A 179 6.449 9.072 5.049 1.00 8.36 H new ATOM 0 HB3 PRO A 179 6.646 10.207 3.728 1.00 8.36 H new ATOM 0 HG2 PRO A 179 4.720 8.367 3.644 1.00 7.74 H new ATOM 0 HG3 PRO A 179 5.582 8.815 2.185 1.00 7.74 H new ATOM 0 HD2 PRO A 179 5.927 6.353 3.902 1.00 7.36 H new ATOM 0 HD3 PRO A 179 5.954 6.487 2.154 1.00 7.36 H new ATOM 378 N LYS A 180 9.518 9.578 5.250 1.00 9.42 N ATOM 379 CA LYS A 180 10.386 9.680 6.425 1.00 9.77 C ATOM 380 C LYS A 180 9.613 9.412 7.712 1.00 9.52 C ATOM 381 O LYS A 180 10.142 8.837 8.664 1.00 9.52 O ATOM 382 CB LYS A 180 11.018 11.076 6.497 1.00 10.55 C ATOM 383 CG LYS A 180 11.591 11.570 5.178 1.00 10.96 C ATOM 384 CD LYS A 180 12.811 10.770 4.761 1.00 11.55 C ATOM 385 CE LYS A 180 13.424 11.324 3.487 1.00 12.03 C ATOM 386 NZ LYS A 180 14.770 10.755 3.225 1.00 12.47 N1+ ATOM 0 H LYS A 180 9.449 10.440 4.709 1.00 9.42 H new ATOM 0 HA LYS A 180 11.166 8.926 6.325 1.00 9.77 H new ATOM 0 HB2 LYS A 180 10.266 11.786 6.842 1.00 10.55 H new ATOM 0 HB3 LYS A 180 11.812 11.065 7.244 1.00 10.55 H new ATOM 0 HG2 LYS A 180 10.829 11.502 4.402 1.00 10.96 H new ATOM 0 HG3 LYS A 180 11.860 12.622 5.269 1.00 10.96 H new ATOM 0 HD2 LYS A 180 13.551 10.788 5.561 1.00 11.55 H new ATOM 0 HD3 LYS A 180 12.531 9.728 4.609 1.00 11.55 H new ATOM 0 HE2 LYS A 180 12.768 11.106 2.644 1.00 12.03 H new ATOM 0 HE3 LYS A 180 13.497 12.409 3.562 1.00 12.03 H new ATOM 0 HZ1 LYS A 180 15.153 11.159 2.347 1.00 12.47 H new ATOM 0 HZ2 LYS A 180 15.404 10.984 4.017 1.00 12.47 H new ATOM 0 HZ3 LYS A 180 14.697 9.722 3.128 1.00 12.47 H new ATOM 400 N GLN A 181 8.360 9.839 7.733 1.00 9.38 N ATOM 401 CA GLN A 181 7.499 9.661 8.897 1.00 9.25 C ATOM 402 C GLN A 181 7.253 8.182 9.175 1.00 8.64 C ATOM 403 O GLN A 181 7.255 7.743 10.326 1.00 8.66 O ATOM 404 CB GLN A 181 6.158 10.374 8.686 1.00 9.25 C ATOM 405 CG GLN A 181 6.284 11.792 8.135 1.00 9.84 C ATOM 406 CD GLN A 181 6.360 11.827 6.620 1.00 9.79 C ATOM 407 OE1 GLN A 181 7.447 11.784 6.038 1.00 9.75 O ATOM 408 NE2 GLN A 181 5.213 11.895 5.967 1.00 9.99 N ATOM 0 H GLN A 181 7.912 10.316 6.951 1.00 9.38 H new ATOM 0 HA GLN A 181 8.007 10.098 9.756 1.00 9.25 H new ATOM 0 HB2 GLN A 181 5.549 9.783 8.002 1.00 9.25 H new ATOM 0 HB3 GLN A 181 5.625 10.411 9.636 1.00 9.25 H new ATOM 0 HG2 GLN A 181 5.430 12.383 8.466 1.00 9.84 H new ATOM 0 HG3 GLN A 181 7.176 12.261 8.550 1.00 9.84 H new ATOM 0 HE21 GLN A 181 4.334 11.929 6.483 1.00 9.99 H new ATOM 0 HE22 GLN A 181 5.207 11.913 4.947 1.00 9.99 H new ATOM 417 N LEU A 182 7.071 7.411 8.116 1.00 8.14 N ATOM 418 CA LEU A 182 6.798 5.989 8.249 1.00 7.55 C ATOM 419 C LEU A 182 8.083 5.196 8.475 1.00 7.61 C ATOM 420 O LEU A 182 8.066 4.159 9.134 1.00 7.33 O ATOM 421 CB LEU A 182 6.066 5.475 7.012 1.00 6.99 C ATOM 422 CG LEU A 182 4.557 5.744 6.988 1.00 6.82 C ATOM 423 CD1 LEU A 182 4.269 7.184 6.594 1.00 6.67 C ATOM 424 CD2 LEU A 182 3.858 4.782 6.043 1.00 6.66 C ATOM 0 H LEU A 182 7.107 7.746 7.153 1.00 8.14 H new ATOM 0 HA LEU A 182 6.161 5.848 9.122 1.00 7.55 H new ATOM 0 HB2 LEU A 182 6.514 5.930 6.129 1.00 6.99 H new ATOM 0 HB3 LEU A 182 6.229 4.400 6.934 1.00 6.99 H new ATOM 0 HG LEU A 182 4.168 5.583 7.994 1.00 6.82 H new ATOM 0 HD11 LEU A 182 3.192 7.350 6.584 1.00 6.67 H new ATOM 0 HD12 LEU A 182 4.733 7.858 7.314 1.00 6.67 H new ATOM 0 HD13 LEU A 182 4.675 7.378 5.601 1.00 6.67 H new ATOM 0 HD21 LEU A 182 2.788 4.989 6.040 1.00 6.66 H new ATOM 0 HD22 LEU A 182 4.255 4.908 5.036 1.00 6.66 H new ATOM 0 HD23 LEU A 182 4.029 3.758 6.375 1.00 6.66 H new ATOM 436 N LEU A 183 9.192 5.695 7.939 1.00 8.04 N ATOM 437 CA LEU A 183 10.489 5.035 8.099 1.00 8.24 C ATOM 438 C LEU A 183 10.875 4.955 9.573 1.00 8.55 C ATOM 439 O LEU A 183 11.607 4.062 9.990 1.00 8.54 O ATOM 440 CB LEU A 183 11.575 5.785 7.327 1.00 8.80 C ATOM 441 CG LEU A 183 11.605 5.531 5.819 1.00 8.62 C ATOM 442 CD1 LEU A 183 12.661 6.405 5.158 1.00 9.31 C ATOM 443 CD2 LEU A 183 11.871 4.060 5.527 1.00 8.25 C ATOM 0 H LEU A 183 9.222 6.554 7.390 1.00 8.04 H new ATOM 0 HA LEU A 183 10.401 4.025 7.699 1.00 8.24 H new ATOM 0 HB2 LEU A 183 11.444 6.854 7.495 1.00 8.80 H new ATOM 0 HB3 LEU A 183 12.545 5.514 7.743 1.00 8.80 H new ATOM 0 HG LEU A 183 10.630 5.790 5.406 1.00 8.62 H new ATOM 0 HD11 LEU A 183 12.672 6.214 4.085 1.00 9.31 H new ATOM 0 HD12 LEU A 183 12.429 7.455 5.338 1.00 9.31 H new ATOM 0 HD13 LEU A 183 13.640 6.173 5.577 1.00 9.31 H new ATOM 0 HD21 LEU A 183 11.888 3.900 4.449 1.00 8.25 H new ATOM 0 HD22 LEU A 183 12.833 3.773 5.952 1.00 8.25 H new ATOM 0 HD23 LEU A 183 11.082 3.453 5.971 1.00 8.25 H new ATOM 455 N GLN A 184 10.358 5.893 10.357 1.00 8.87 N ATOM 456 CA GLN A 184 10.632 5.945 11.790 1.00 9.25 C ATOM 457 C GLN A 184 9.959 4.797 12.537 1.00 8.85 C ATOM 458 O GLN A 184 10.203 4.592 13.727 1.00 9.14 O ATOM 459 CB GLN A 184 10.162 7.278 12.359 1.00 9.76 C ATOM 460 CG GLN A 184 11.133 8.413 12.111 1.00 10.33 C ATOM 461 CD GLN A 184 10.510 9.767 12.359 1.00 10.90 C ATOM 462 OE1 GLN A 184 10.464 10.245 13.492 1.00 11.17 O ATOM 463 NE2 GLN A 184 10.034 10.402 11.298 1.00 11.29 N ATOM 0 H GLN A 184 9.742 6.634 10.022 1.00 8.87 H new ATOM 0 HA GLN A 184 11.709 5.845 11.926 1.00 9.25 H new ATOM 0 HB2 GLN A 184 9.197 7.532 11.920 1.00 9.76 H new ATOM 0 HB3 GLN A 184 10.005 7.172 13.432 1.00 9.76 H new ATOM 0 HG2 GLN A 184 12.002 8.292 12.757 1.00 10.33 H new ATOM 0 HG3 GLN A 184 11.491 8.363 11.083 1.00 10.33 H new ATOM 0 HE21 GLN A 184 10.092 9.969 10.376 1.00 11.29 H new ATOM 0 HE22 GLN A 184 9.609 11.323 11.403 1.00 11.29 H new ATOM 472 N ARG A 185 9.105 4.059 11.841 1.00 8.24 N ATOM 473 CA ARG A 185 8.407 2.930 12.439 1.00 7.89 C ATOM 474 C ARG A 185 9.209 1.650 12.244 1.00 7.66 C ATOM 475 O ARG A 185 9.125 0.723 13.050 1.00 7.54 O ATOM 476 CB ARG A 185 7.013 2.773 11.830 1.00 7.40 C ATOM 477 CG ARG A 185 5.891 3.199 12.763 1.00 7.66 C ATOM 478 CD ARG A 185 5.000 4.253 12.122 1.00 7.53 C ATOM 479 NE ARG A 185 5.644 5.568 12.064 1.00 7.91 N ATOM 480 CZ ARG A 185 5.439 6.542 12.953 1.00 8.28 C ATOM 481 NH1 ARG A 185 4.620 6.350 13.979 1.00 8.35 N1+ ATOM 482 NH2 ARG A 185 6.052 7.710 12.809 1.00 8.81 N ATOM 0 H ARG A 185 8.879 4.223 10.860 1.00 8.24 H new ATOM 0 HA ARG A 185 8.299 3.121 13.507 1.00 7.89 H new ATOM 0 HB2 ARG A 185 6.957 3.362 10.915 1.00 7.40 H new ATOM 0 HB3 ARG A 185 6.864 1.731 11.548 1.00 7.40 H new ATOM 0 HG2 ARG A 185 5.291 2.330 13.033 1.00 7.66 H new ATOM 0 HG3 ARG A 185 6.315 3.593 13.687 1.00 7.66 H new ATOM 0 HD2 ARG A 185 4.735 3.936 11.113 1.00 7.53 H new ATOM 0 HD3 ARG A 185 4.071 4.331 12.686 1.00 7.53 H new ATOM 0 HE ARG A 185 6.290 5.750 11.296 1.00 7.91 H new ATOM 0 HH11 ARG A 185 4.144 5.455 14.091 1.00 8.35 H new ATOM 0 HH12 ARG A 185 4.467 7.097 14.656 1.00 8.35 H new ATOM 0 HH21 ARG A 185 6.679 7.863 12.019 1.00 8.81 H new ATOM 0 HH22 ARG A 185 5.896 8.455 13.488 1.00 8.81 H new ATOM 496 N ILE A 186 9.992 1.609 11.174 1.00 7.69 N ATOM 497 CA ILE A 186 10.817 0.453 10.866 1.00 7.57 C ATOM 498 C ILE A 186 12.289 0.856 10.815 1.00 8.20 C ATOM 499 O ILE A 186 12.828 1.164 9.751 1.00 8.43 O ATOM 500 CB ILE A 186 10.406 -0.199 9.525 1.00 7.11 C ATOM 501 CG1 ILE A 186 10.005 0.873 8.504 1.00 6.84 C ATOM 502 CG2 ILE A 186 9.266 -1.186 9.749 1.00 6.83 C ATOM 503 CD1 ILE A 186 9.865 0.347 7.088 1.00 6.52 C ATOM 0 H ILE A 186 10.072 2.371 10.501 1.00 7.69 H new ATOM 0 HA ILE A 186 10.667 -0.281 11.658 1.00 7.57 H new ATOM 0 HB ILE A 186 11.261 -0.743 9.124 1.00 7.11 H new ATOM 0 HG12 ILE A 186 9.059 1.319 8.811 1.00 6.84 H new ATOM 0 HG13 ILE A 186 10.750 1.668 8.514 1.00 6.84 H new ATOM 0 HG21 ILE A 186 8.985 -1.639 8.798 1.00 6.83 H new ATOM 0 HG22 ILE A 186 9.589 -1.964 10.440 1.00 6.83 H new ATOM 0 HG23 ILE A 186 8.408 -0.661 10.169 1.00 6.83 H new ATOM 0 HD11 ILE A 186 9.580 1.163 6.423 1.00 6.52 H new ATOM 0 HD12 ILE A 186 10.816 -0.072 6.760 1.00 6.52 H new ATOM 0 HD13 ILE A 186 9.099 -0.428 7.062 1.00 6.52 H new ATOM 515 N PRO A 187 12.959 0.865 11.971 1.00 8.55 N ATOM 516 CA PRO A 187 14.357 1.245 12.073 1.00 9.18 C ATOM 517 C PRO A 187 15.305 0.076 11.833 1.00 9.19 C ATOM 518 O PRO A 187 14.891 -1.084 11.847 1.00 8.73 O ATOM 519 CB PRO A 187 14.485 1.736 13.523 1.00 9.56 C ATOM 520 CG PRO A 187 13.197 1.392 14.213 1.00 9.11 C ATOM 521 CD PRO A 187 12.416 0.509 13.281 1.00 8.45 C ATOM 0 HA PRO A 187 14.627 1.988 11.322 1.00 9.18 H new ATOM 0 HB2 PRO A 187 15.329 1.258 14.020 1.00 9.56 H new ATOM 0 HB3 PRO A 187 14.664 2.811 13.553 1.00 9.56 H new ATOM 0 HG2 PRO A 187 13.390 0.881 15.156 1.00 9.11 H new ATOM 0 HG3 PRO A 187 12.634 2.295 14.450 1.00 9.11 H new ATOM 0 HD2 PRO A 187 12.562 -0.547 13.506 1.00 8.45 H new ATOM 0 HD3 PRO A 187 11.345 0.703 13.342 1.00 8.45 H new ATOM 529 N ASN A 188 16.575 0.400 11.608 1.00 9.77 N ATOM 530 CA ASN A 188 17.621 -0.596 11.385 1.00 9.94 C ATOM 531 C ASN A 188 17.324 -1.457 10.168 1.00 9.83 C ATOM 532 O ASN A 188 17.137 -2.670 10.282 1.00 9.99 O ATOM 533 CB ASN A 188 17.814 -1.482 12.624 1.00 9.66 C ATOM 534 CG ASN A 188 18.249 -0.695 13.841 1.00 9.91 C ATOM 535 OD1 ASN A 188 18.864 0.365 13.729 1.00 10.35 O ATOM 536 ND2 ASN A 188 17.944 -1.220 15.015 1.00 9.83 N ATOM 0 H ASN A 188 16.910 1.363 11.575 1.00 9.77 H new ATOM 0 HA ASN A 188 18.547 -0.052 11.198 1.00 9.94 H new ATOM 0 HB2 ASN A 188 16.880 -1.999 12.845 1.00 9.66 H new ATOM 0 HB3 ASN A 188 18.559 -2.248 12.406 1.00 9.66 H new ATOM 0 HD21 ASN A 188 18.220 -0.744 15.874 1.00 9.83 H new ATOM 0 HD22 ASN A 188 17.433 -2.101 15.062 1.00 9.83 H new ATOM 543 N ILE A 189 17.266 -0.827 9.001 1.00 9.66 N ATOM 544 CA ILE A 189 17.010 -1.560 7.771 1.00 9.64 C ATOM 545 C ILE A 189 18.289 -1.657 6.939 1.00 9.96 C ATOM 546 O ILE A 189 18.830 -0.641 6.501 1.00 9.97 O ATOM 547 CB ILE A 189 15.891 -0.901 6.930 1.00 9.24 C ATOM 548 CG1 ILE A 189 16.041 0.624 6.922 1.00 9.23 C ATOM 549 CG2 ILE A 189 14.523 -1.304 7.466 1.00 9.06 C ATOM 550 CD1 ILE A 189 15.105 1.325 5.962 1.00 9.09 C ATOM 0 H ILE A 189 17.391 0.178 8.882 1.00 9.66 H new ATOM 0 HA ILE A 189 16.676 -2.559 8.050 1.00 9.64 H new ATOM 0 HB ILE A 189 15.980 -1.253 5.902 1.00 9.24 H new ATOM 0 HG12 ILE A 189 15.864 1.002 7.929 1.00 9.23 H new ATOM 0 HG13 ILE A 189 17.069 0.877 6.663 1.00 9.23 H new ATOM 0 HG21 ILE A 189 13.744 -0.834 6.866 1.00 9.06 H new ATOM 0 HG22 ILE A 189 14.417 -2.388 7.414 1.00 9.06 H new ATOM 0 HG23 ILE A 189 14.428 -0.979 8.502 1.00 9.06 H new ATOM 0 HD11 ILE A 189 15.270 2.401 6.013 1.00 9.09 H new ATOM 0 HD12 ILE A 189 15.296 0.976 4.947 1.00 9.09 H new ATOM 0 HD13 ILE A 189 14.073 1.103 6.233 1.00 9.09 H new ATOM 562 N PRO A 190 18.777 -2.885 6.704 1.00 10.38 N ATOM 563 CA PRO A 190 20.006 -3.125 5.923 1.00 10.85 C ATOM 564 C PRO A 190 19.995 -2.529 4.500 1.00 10.73 C ATOM 565 O PRO A 190 20.928 -1.806 4.147 1.00 11.03 O ATOM 566 CB PRO A 190 20.113 -4.651 5.871 1.00 11.43 C ATOM 567 CG PRO A 190 19.303 -5.144 7.016 1.00 11.22 C ATOM 568 CD PRO A 190 18.204 -4.140 7.227 1.00 10.57 C ATOM 0 HA PRO A 190 20.856 -2.631 6.394 1.00 10.85 H new ATOM 0 HB2 PRO A 190 19.734 -5.039 4.926 1.00 11.43 H new ATOM 0 HB3 PRO A 190 21.150 -4.975 5.955 1.00 11.43 H new ATOM 0 HG2 PRO A 190 18.891 -6.131 6.803 1.00 11.22 H new ATOM 0 HG3 PRO A 190 19.917 -5.241 7.912 1.00 11.22 H new ATOM 0 HD2 PRO A 190 17.297 -4.420 6.692 1.00 10.57 H new ATOM 0 HD3 PRO A 190 17.938 -4.051 8.280 1.00 10.57 H new ATOM 576 N PRO A 191 18.959 -2.791 3.657 1.00 10.37 N ATOM 577 CA PRO A 191 18.922 -2.254 2.290 1.00 10.30 C ATOM 578 C PRO A 191 18.904 -0.730 2.258 1.00 10.68 C ATOM 579 O PRO A 191 19.474 -0.119 1.355 1.00 10.94 O ATOM 580 CB PRO A 191 17.619 -2.811 1.707 1.00 9.89 C ATOM 581 CG PRO A 191 16.793 -3.193 2.880 1.00 9.82 C ATOM 582 CD PRO A 191 17.763 -3.607 3.947 1.00 10.13 C ATOM 0 HA PRO A 191 19.811 -2.541 1.728 1.00 10.30 H new ATOM 0 HB2 PRO A 191 17.112 -2.065 1.096 1.00 9.89 H new ATOM 0 HB3 PRO A 191 17.812 -3.671 1.066 1.00 9.89 H new ATOM 0 HG2 PRO A 191 16.178 -2.357 3.214 1.00 9.82 H new ATOM 0 HG3 PRO A 191 16.114 -4.009 2.631 1.00 9.82 H new ATOM 0 HD2 PRO A 191 17.372 -3.407 4.945 1.00 10.13 H new ATOM 0 HD3 PRO A 191 17.983 -4.674 3.899 1.00 10.13 H new ATOM 590 N ASN A 192 18.240 -0.130 3.248 1.00 10.83 N ATOM 591 CA ASN A 192 18.133 1.324 3.353 1.00 11.33 C ATOM 592 C ASN A 192 17.457 1.915 2.114 1.00 11.24 C ATOM 593 O ASN A 192 17.713 3.055 1.724 1.00 11.75 O ATOM 594 CB ASN A 192 19.519 1.942 3.558 1.00 11.90 C ATOM 595 CG ASN A 192 19.471 3.287 4.259 1.00 12.46 C ATOM 596 OD1 ASN A 192 19.415 4.334 3.616 1.00 12.68 O ATOM 597 ND2 ASN A 192 19.503 3.266 5.584 1.00 12.84 N ATOM 0 H ASN A 192 17.764 -0.636 3.995 1.00 10.83 H new ATOM 0 HA ASN A 192 17.513 1.561 4.217 1.00 11.33 H new ATOM 0 HB2 ASN A 192 20.134 1.256 4.141 1.00 11.90 H new ATOM 0 HB3 ASN A 192 20.005 2.060 2.589 1.00 11.90 H new ATOM 0 HD21 ASN A 192 19.481 4.140 6.109 1.00 12.84 H new ATOM 0 HD22 ASN A 192 19.549 2.375 6.079 1.00 12.84 H new ATOM 604 N ILE A 193 16.589 1.124 1.501 1.00 10.63 N ATOM 605 CA ILE A 193 15.863 1.553 0.318 1.00 10.51 C ATOM 606 C ILE A 193 14.467 2.003 0.726 1.00 9.90 C ATOM 607 O ILE A 193 13.945 1.544 1.739 1.00 9.52 O ATOM 608 CB ILE A 193 15.778 0.430 -0.733 1.00 10.37 C ATOM 609 CG1 ILE A 193 17.162 -0.182 -0.959 1.00 10.58 C ATOM 610 CG2 ILE A 193 15.221 0.974 -2.040 1.00 10.81 C ATOM 611 CD1 ILE A 193 17.134 -1.519 -1.663 1.00 10.26 C ATOM 0 H ILE A 193 16.370 0.176 1.807 1.00 10.63 H new ATOM 0 HA ILE A 193 16.402 2.384 -0.138 1.00 10.51 H new ATOM 0 HB ILE A 193 15.107 -0.346 -0.366 1.00 10.37 H new ATOM 0 HG12 ILE A 193 17.764 0.513 -1.544 1.00 10.58 H new ATOM 0 HG13 ILE A 193 17.658 -0.300 0.005 1.00 10.58 H new ATOM 0 HG21 ILE A 193 15.166 0.171 -2.774 1.00 10.81 H new ATOM 0 HG22 ILE A 193 14.223 1.379 -1.870 1.00 10.81 H new ATOM 0 HG23 ILE A 193 15.874 1.763 -2.413 1.00 10.81 H new ATOM 0 HD11 ILE A 193 18.153 -1.887 -1.786 1.00 10.26 H new ATOM 0 HD12 ILE A 193 16.560 -2.231 -1.069 1.00 10.26 H new ATOM 0 HD13 ILE A 193 16.669 -1.405 -2.642 1.00 10.26 H new ATOM 623 N ASN A 194 13.861 2.892 -0.049 1.00 9.87 N ATOM 624 CA ASN A 194 12.540 3.412 0.293 1.00 9.35 C ATOM 625 C ASN A 194 11.436 2.856 -0.607 1.00 8.86 C ATOM 626 O ASN A 194 10.277 2.810 -0.207 1.00 8.57 O ATOM 627 CB ASN A 194 12.543 4.944 0.211 1.00 9.78 C ATOM 628 CG ASN A 194 13.751 5.573 0.886 1.00 10.10 C ATOM 629 OD1 ASN A 194 13.718 5.895 2.073 1.00 10.43 O ATOM 630 ND2 ASN A 194 14.821 5.773 0.126 1.00 10.17 N ATOM 0 H ASN A 194 14.257 3.267 -0.911 1.00 9.87 H new ATOM 0 HA ASN A 194 12.326 3.088 1.311 1.00 9.35 H new ATOM 0 HB2 ASN A 194 12.521 5.246 -0.836 1.00 9.78 H new ATOM 0 HB3 ASN A 194 11.634 5.329 0.673 1.00 9.78 H new ATOM 0 HD21 ASN A 194 15.654 6.208 0.523 1.00 10.17 H new ATOM 0 HD22 ASN A 194 14.810 5.492 -0.854 1.00 10.17 H new ATOM 637 N THR A 195 11.786 2.414 -1.807 1.00 8.88 N ATOM 638 CA THR A 195 10.785 1.906 -2.738 1.00 8.49 C ATOM 639 C THR A 195 10.267 0.548 -2.289 1.00 7.92 C ATOM 640 O THR A 195 11.048 -0.366 -2.025 1.00 8.08 O ATOM 641 CB THR A 195 11.379 1.781 -4.153 1.00 9.05 C ATOM 642 OG1 THR A 195 12.289 2.868 -4.381 1.00 9.80 O ATOM 643 CG2 THR A 195 10.284 1.790 -5.218 1.00 8.98 C ATOM 0 H THR A 195 12.744 2.396 -2.157 1.00 8.88 H new ATOM 0 HA THR A 195 9.957 2.614 -2.754 1.00 8.49 H new ATOM 0 HB THR A 195 11.907 0.830 -4.224 1.00 9.05 H new ATOM 0 HG1 THR A 195 12.671 2.792 -5.280 1.00 9.80 H new ATOM 0 HG21 THR A 195 10.736 1.700 -6.206 1.00 8.98 H new ATOM 0 HG22 THR A 195 9.607 0.952 -5.051 1.00 8.98 H new ATOM 0 HG23 THR A 195 9.726 2.724 -5.158 1.00 8.98 H new ATOM 651 N TRP A 196 8.945 0.408 -2.278 1.00 7.29 N ATOM 652 CA TRP A 196 8.283 -0.813 -1.829 1.00 6.73 C ATOM 653 C TRP A 196 8.788 -2.067 -2.534 1.00 7.00 C ATOM 654 O TRP A 196 8.966 -3.100 -1.898 1.00 6.84 O ATOM 655 CB TRP A 196 6.771 -0.693 -1.996 1.00 6.14 C ATOM 656 CG TRP A 196 6.116 -0.025 -0.829 1.00 5.65 C ATOM 657 CD1 TRP A 196 5.401 1.133 -0.839 1.00 5.54 C ATOM 658 CD2 TRP A 196 6.127 -0.480 0.529 1.00 5.33 C ATOM 659 NE1 TRP A 196 4.970 1.433 0.430 1.00 5.20 N ATOM 660 CE2 TRP A 196 5.397 0.451 1.287 1.00 5.06 C ATOM 661 CE3 TRP A 196 6.682 -1.589 1.176 1.00 5.33 C ATOM 662 CZ2 TRP A 196 5.211 0.313 2.661 1.00 4.84 C ATOM 663 CZ3 TRP A 196 6.496 -1.729 2.537 1.00 5.05 C ATOM 664 CH2 TRP A 196 5.763 -0.783 3.267 1.00 4.82 C ATOM 0 H TRP A 196 8.301 1.139 -2.581 1.00 7.29 H new ATOM 0 HA TRP A 196 8.530 -0.924 -0.773 1.00 6.73 H new ATOM 0 HB2 TRP A 196 6.553 -0.129 -2.903 1.00 6.14 H new ATOM 0 HB3 TRP A 196 6.344 -1.687 -2.128 1.00 6.14 H new ATOM 0 HD1 TRP A 196 5.202 1.729 -1.717 1.00 5.54 H new ATOM 0 HE1 TRP A 196 4.422 2.252 0.692 1.00 5.20 H new ATOM 0 HE3 TRP A 196 7.246 -2.323 0.620 1.00 5.33 H new ATOM 0 HZ2 TRP A 196 4.652 1.044 3.227 1.00 4.84 H new ATOM 0 HZ3 TRP A 196 6.922 -2.580 3.047 1.00 5.05 H new ATOM 0 HH2 TRP A 196 5.631 -0.922 4.330 1.00 4.82 H new ATOM 675 N GLN A 197 9.030 -1.975 -3.835 1.00 7.47 N ATOM 676 CA GLN A 197 9.505 -3.123 -4.605 1.00 7.85 C ATOM 677 C GLN A 197 10.811 -3.674 -4.039 1.00 8.27 C ATOM 678 O GLN A 197 10.997 -4.887 -3.954 1.00 8.37 O ATOM 679 CB GLN A 197 9.704 -2.740 -6.068 1.00 8.38 C ATOM 680 CG GLN A 197 8.405 -2.455 -6.797 1.00 8.33 C ATOM 681 CD GLN A 197 7.536 -3.691 -6.947 1.00 8.43 C ATOM 682 OE1 GLN A 197 8.041 -4.800 -7.126 1.00 8.59 O ATOM 683 NE2 GLN A 197 6.227 -3.515 -6.858 1.00 8.60 N ATOM 0 H GLN A 197 8.907 -1.122 -4.380 1.00 7.47 H new ATOM 0 HA GLN A 197 8.744 -3.900 -4.534 1.00 7.85 H new ATOM 0 HB2 GLN A 197 10.343 -1.859 -6.122 1.00 8.38 H new ATOM 0 HB3 GLN A 197 10.230 -3.547 -6.579 1.00 8.38 H new ATOM 0 HG2 GLN A 197 7.850 -1.689 -6.256 1.00 8.33 H new ATOM 0 HG3 GLN A 197 8.628 -2.050 -7.784 1.00 8.33 H new ATOM 0 HE21 GLN A 197 5.847 -2.580 -6.709 1.00 8.60 H new ATOM 0 HE22 GLN A 197 5.598 -4.314 -6.938 1.00 8.60 H new ATOM 692 N GLN A 198 11.703 -2.783 -3.649 1.00 8.57 N ATOM 693 CA GLN A 198 12.994 -3.180 -3.105 1.00 9.03 C ATOM 694 C GLN A 198 12.909 -3.424 -1.596 1.00 8.61 C ATOM 695 O GLN A 198 13.709 -4.170 -1.037 1.00 8.82 O ATOM 696 CB GLN A 198 14.037 -2.111 -3.439 1.00 9.66 C ATOM 697 CG GLN A 198 14.141 -1.843 -4.933 1.00 10.19 C ATOM 698 CD GLN A 198 15.183 -0.803 -5.289 1.00 10.85 C ATOM 699 OE1 GLN A 198 16.209 -0.677 -4.627 1.00 11.11 O ATOM 700 NE2 GLN A 198 14.927 -0.056 -6.349 1.00 11.29 N ATOM 0 H GLN A 198 11.559 -1.774 -3.698 1.00 8.57 H new ATOM 0 HA GLN A 198 13.296 -4.122 -3.562 1.00 9.03 H new ATOM 0 HB2 GLN A 198 13.781 -1.185 -2.924 1.00 9.66 H new ATOM 0 HB3 GLN A 198 15.010 -2.427 -3.062 1.00 9.66 H new ATOM 0 HG2 GLN A 198 14.379 -2.775 -5.446 1.00 10.19 H new ATOM 0 HG3 GLN A 198 13.170 -1.515 -5.304 1.00 10.19 H new ATOM 0 HE21 GLN A 198 14.062 -0.192 -6.872 1.00 11.29 H new ATOM 0 HE22 GLN A 198 15.594 0.657 -6.644 1.00 11.29 H new ATOM 709 N VAL A 199 11.928 -2.805 -0.948 1.00 8.07 N ATOM 710 CA VAL A 199 11.738 -2.963 0.492 1.00 7.70 C ATOM 711 C VAL A 199 11.118 -4.328 0.819 1.00 7.32 C ATOM 712 O VAL A 199 11.531 -5.006 1.765 1.00 7.31 O ATOM 713 CB VAL A 199 10.834 -1.840 1.077 1.00 7.25 C ATOM 714 CG1 VAL A 199 10.580 -2.075 2.560 1.00 7.19 C ATOM 715 CG2 VAL A 199 11.461 -0.465 0.864 1.00 7.41 C ATOM 0 H VAL A 199 11.251 -2.188 -1.396 1.00 8.07 H new ATOM 0 HA VAL A 199 12.725 -2.894 0.950 1.00 7.70 H new ATOM 0 HB VAL A 199 9.881 -1.869 0.548 1.00 7.25 H new ATOM 0 HG11 VAL A 199 9.946 -1.279 2.951 1.00 7.19 H new ATOM 0 HG12 VAL A 199 10.083 -3.035 2.696 1.00 7.19 H new ATOM 0 HG13 VAL A 199 11.529 -2.079 3.096 1.00 7.19 H new ATOM 0 HG21 VAL A 199 10.808 0.301 1.282 1.00 7.41 H new ATOM 0 HG22 VAL A 199 12.431 -0.426 1.360 1.00 7.41 H new ATOM 0 HG23 VAL A 199 11.592 -0.286 -0.203 1.00 7.41 H new ATOM 725 N THR A 200 10.152 -4.744 0.004 1.00 7.10 N ATOM 726 CA THR A 200 9.451 -6.010 0.201 1.00 6.83 C ATOM 727 C THR A 200 10.364 -7.209 -0.030 1.00 7.39 C ATOM 728 O THR A 200 10.045 -8.328 0.381 1.00 7.30 O ATOM 729 CB THR A 200 8.217 -6.131 -0.713 1.00 6.60 C ATOM 730 OG1 THR A 200 8.532 -5.677 -2.038 1.00 6.76 O ATOM 731 CG2 THR A 200 7.052 -5.321 -0.159 1.00 6.11 C ATOM 0 H THR A 200 9.834 -4.216 -0.808 1.00 7.10 H new ATOM 0 HA THR A 200 9.123 -6.012 1.240 1.00 6.83 H new ATOM 0 HB THR A 200 7.927 -7.181 -0.752 1.00 6.60 H new ATOM 0 HG1 THR A 200 8.327 -4.722 -2.114 1.00 6.76 H new ATOM 0 HG21 THR A 200 6.192 -5.421 -0.821 1.00 6.11 H new ATOM 0 HG22 THR A 200 6.792 -5.690 0.833 1.00 6.11 H new ATOM 0 HG23 THR A 200 7.338 -4.271 -0.092 1.00 6.11 H new ATOM 739 N ALA A 201 11.488 -6.973 -0.699 1.00 8.02 N ATOM 740 CA ALA A 201 12.449 -8.033 -0.993 1.00 8.63 C ATOM 741 C ALA A 201 12.861 -8.775 0.280 1.00 8.64 C ATOM 742 O ALA A 201 13.107 -9.980 0.253 1.00 8.93 O ATOM 743 CB ALA A 201 13.676 -7.459 -1.689 1.00 9.32 C ATOM 0 H ALA A 201 11.757 -6.054 -1.049 1.00 8.02 H new ATOM 0 HA ALA A 201 11.966 -8.748 -1.660 1.00 8.63 H new ATOM 0 HB1 ALA A 201 14.383 -8.261 -1.901 1.00 9.32 H new ATOM 0 HB2 ALA A 201 13.376 -6.984 -2.623 1.00 9.32 H new ATOM 0 HB3 ALA A 201 14.149 -6.721 -1.042 1.00 9.32 H new ATOM 749 N LEU A 202 12.898 -8.053 1.394 1.00 8.38 N ATOM 750 CA LEU A 202 13.269 -8.634 2.680 1.00 8.45 C ATOM 751 C LEU A 202 12.285 -9.728 3.096 1.00 8.04 C ATOM 752 O LEU A 202 12.667 -10.707 3.742 1.00 8.27 O ATOM 753 CB LEU A 202 13.315 -7.552 3.756 1.00 8.32 C ATOM 754 CG LEU A 202 14.335 -6.437 3.521 1.00 8.50 C ATOM 755 CD1 LEU A 202 14.083 -5.283 4.479 1.00 8.35 C ATOM 756 CD2 LEU A 202 15.750 -6.963 3.687 1.00 9.03 C ATOM 0 H LEU A 202 12.674 -7.059 1.433 1.00 8.38 H new ATOM 0 HA LEU A 202 14.258 -9.080 2.571 1.00 8.45 H new ATOM 0 HB2 LEU A 202 12.325 -7.104 3.839 1.00 8.32 H new ATOM 0 HB3 LEU A 202 13.533 -8.025 4.714 1.00 8.32 H new ATOM 0 HG LEU A 202 14.222 -6.075 2.499 1.00 8.50 H new ATOM 0 HD11 LEU A 202 14.816 -4.496 4.301 1.00 8.35 H new ATOM 0 HD12 LEU A 202 13.080 -4.888 4.317 1.00 8.35 H new ATOM 0 HD13 LEU A 202 14.172 -5.637 5.506 1.00 8.35 H new ATOM 0 HD21 LEU A 202 16.461 -6.155 3.516 1.00 9.03 H new ATOM 0 HD22 LEU A 202 15.878 -7.351 4.698 1.00 9.03 H new ATOM 0 HD23 LEU A 202 15.928 -7.762 2.967 1.00 9.03 H new ATOM 768 N ALA A 203 11.024 -9.566 2.715 1.00 7.51 N ATOM 769 CA ALA A 203 9.993 -10.538 3.050 1.00 7.19 C ATOM 770 C ALA A 203 10.115 -11.770 2.169 1.00 7.64 C ATOM 771 O ALA A 203 9.946 -12.896 2.633 1.00 7.71 O ATOM 772 CB ALA A 203 8.610 -9.922 2.906 1.00 6.60 C ATOM 0 H ALA A 203 10.691 -8.769 2.173 1.00 7.51 H new ATOM 0 HA ALA A 203 10.132 -10.839 4.088 1.00 7.19 H new ATOM 0 HB1 ALA A 203 7.853 -10.664 3.161 1.00 6.60 H new ATOM 0 HB2 ALA A 203 8.521 -9.067 3.577 1.00 6.60 H new ATOM 0 HB3 ALA A 203 8.464 -9.593 1.877 1.00 6.60 H new ATOM 778 N GLN A 204 10.441 -11.550 0.900 1.00 8.03 N ATOM 779 CA GLN A 204 10.592 -12.640 -0.057 1.00 8.56 C ATOM 780 C GLN A 204 11.826 -13.471 0.274 1.00 9.11 C ATOM 781 O GLN A 204 11.901 -14.655 -0.054 1.00 9.51 O ATOM 782 CB GLN A 204 10.690 -12.090 -1.482 1.00 8.89 C ATOM 783 CG GLN A 204 9.517 -11.204 -1.869 1.00 8.56 C ATOM 784 CD GLN A 204 9.483 -10.889 -3.350 1.00 8.93 C ATOM 785 OE1 GLN A 204 10.517 -10.860 -4.020 1.00 9.22 O ATOM 786 NE2 GLN A 204 8.291 -10.642 -3.870 1.00 9.16 N ATOM 0 H GLN A 204 10.606 -10.623 0.509 1.00 8.03 H new ATOM 0 HA GLN A 204 9.713 -13.281 0.009 1.00 8.56 H new ATOM 0 HB2 GLN A 204 11.614 -11.520 -1.581 1.00 8.89 H new ATOM 0 HB3 GLN A 204 10.753 -12.923 -2.182 1.00 8.89 H new ATOM 0 HG2 GLN A 204 8.587 -11.696 -1.585 1.00 8.56 H new ATOM 0 HG3 GLN A 204 9.570 -10.273 -1.305 1.00 8.56 H new ATOM 0 HE21 GLN A 204 7.460 -10.677 -3.280 1.00 9.16 H new ATOM 0 HE22 GLN A 204 8.204 -10.417 -4.861 1.00 9.16 H new ATOM 795 N GLN A 205 12.803 -12.837 0.914 1.00 9.17 N ATOM 796 CA GLN A 205 14.026 -13.524 1.312 1.00 9.72 C ATOM 797 C GLN A 205 13.876 -14.081 2.725 1.00 9.52 C ATOM 798 O GLN A 205 14.763 -14.768 3.232 1.00 9.93 O ATOM 799 CB GLN A 205 15.229 -12.579 1.246 1.00 10.00 C ATOM 800 CG GLN A 205 15.553 -12.093 -0.159 1.00 10.36 C ATOM 801 CD GLN A 205 16.093 -13.189 -1.061 1.00 10.95 C ATOM 802 OE1 GLN A 205 15.714 -14.358 -0.951 1.00 11.13 O ATOM 803 NE2 GLN A 205 16.983 -12.814 -1.966 1.00 11.44 N ATOM 0 H GLN A 205 12.772 -11.850 1.168 1.00 9.17 H new ATOM 0 HA GLN A 205 14.198 -14.347 0.618 1.00 9.72 H new ATOM 0 HB2 GLN A 205 15.036 -11.716 1.883 1.00 10.00 H new ATOM 0 HB3 GLN A 205 16.102 -13.088 1.654 1.00 10.00 H new ATOM 0 HG2 GLN A 205 14.653 -11.673 -0.608 1.00 10.36 H new ATOM 0 HG3 GLN A 205 16.285 -11.288 -0.098 1.00 10.36 H new ATOM 0 HE21 GLN A 205 17.270 -11.837 -2.025 1.00 11.44 H new ATOM 0 HE22 GLN A 205 17.382 -13.502 -2.605 1.00 11.44 H new ATOM 812 N LYS A 206 12.735 -13.765 3.348 1.00 8.93 N ATOM 813 CA LYS A 206 12.420 -14.211 4.706 1.00 8.75 C ATOM 814 C LYS A 206 13.480 -13.750 5.705 1.00 8.72 C ATOM 815 O LYS A 206 13.867 -14.489 6.617 1.00 8.89 O ATOM 816 CB LYS A 206 12.263 -15.733 4.739 1.00 9.26 C ATOM 817 CG LYS A 206 10.907 -16.212 4.245 1.00 9.36 C ATOM 818 CD LYS A 206 10.991 -17.604 3.636 1.00 9.64 C ATOM 819 CE LYS A 206 9.609 -18.198 3.421 1.00 9.95 C ATOM 820 NZ LYS A 206 9.662 -19.469 2.656 1.00 10.29 N1+ ATOM 0 H LYS A 206 12.005 -13.193 2.923 1.00 8.93 H new ATOM 0 HA LYS A 206 11.475 -13.756 5.002 1.00 8.75 H new ATOM 0 HB2 LYS A 206 13.044 -16.185 4.128 1.00 9.26 H new ATOM 0 HB3 LYS A 206 12.414 -16.084 5.760 1.00 9.26 H new ATOM 0 HG2 LYS A 206 10.199 -16.219 5.074 1.00 9.36 H new ATOM 0 HG3 LYS A 206 10.522 -15.513 3.503 1.00 9.36 H new ATOM 0 HD2 LYS A 206 11.520 -17.555 2.684 1.00 9.64 H new ATOM 0 HD3 LYS A 206 11.571 -18.255 4.290 1.00 9.64 H new ATOM 0 HE2 LYS A 206 9.137 -18.376 4.387 1.00 9.95 H new ATOM 0 HE3 LYS A 206 8.985 -17.480 2.889 1.00 9.95 H new ATOM 0 HZ1 LYS A 206 8.698 -19.840 2.532 1.00 10.29 H new ATOM 0 HZ2 LYS A 206 10.089 -19.295 1.724 1.00 10.29 H new ATOM 0 HZ3 LYS A 206 10.236 -20.163 3.176 1.00 10.29 H new ATOM 834 N LEU A 207 13.931 -12.514 5.533 1.00 8.58 N ATOM 835 CA LEU A 207 14.939 -11.928 6.409 1.00 8.66 C ATOM 836 C LEU A 207 14.277 -11.097 7.501 1.00 8.06 C ATOM 837 O LEU A 207 14.924 -10.311 8.192 1.00 8.10 O ATOM 838 CB LEU A 207 15.917 -11.073 5.598 1.00 9.02 C ATOM 839 CG LEU A 207 16.882 -11.862 4.710 1.00 9.66 C ATOM 840 CD1 LEU A 207 17.624 -10.932 3.765 1.00 9.96 C ATOM 841 CD2 LEU A 207 17.869 -12.653 5.557 1.00 10.21 C ATOM 0 H LEU A 207 13.612 -11.893 4.789 1.00 8.58 H new ATOM 0 HA LEU A 207 15.498 -12.734 6.884 1.00 8.66 H new ATOM 0 HB2 LEU A 207 15.345 -10.390 4.970 1.00 9.02 H new ATOM 0 HB3 LEU A 207 16.499 -10.461 6.287 1.00 9.02 H new ATOM 0 HG LEU A 207 16.297 -12.564 4.116 1.00 9.66 H new ATOM 0 HD11 LEU A 207 18.305 -11.513 3.143 1.00 9.96 H new ATOM 0 HD12 LEU A 207 16.907 -10.411 3.130 1.00 9.96 H new ATOM 0 HD13 LEU A 207 18.193 -10.204 4.343 1.00 9.96 H new ATOM 0 HD21 LEU A 207 18.546 -13.206 4.906 1.00 10.21 H new ATOM 0 HD22 LEU A 207 18.444 -11.968 6.180 1.00 10.21 H new ATOM 0 HD23 LEU A 207 17.325 -13.352 6.193 1.00 10.21 H new ATOM 853 N LEU A 208 12.975 -11.283 7.645 1.00 7.59 N ATOM 854 CA LEU A 208 12.193 -10.585 8.652 1.00 7.05 C ATOM 855 C LEU A 208 11.633 -11.589 9.645 1.00 6.95 C ATOM 856 O LEU A 208 11.008 -12.580 9.255 1.00 6.96 O ATOM 857 CB LEU A 208 11.048 -9.806 7.996 1.00 6.63 C ATOM 858 CG LEU A 208 11.188 -8.283 8.030 1.00 6.34 C ATOM 859 CD1 LEU A 208 12.370 -7.829 7.190 1.00 6.60 C ATOM 860 CD2 LEU A 208 9.904 -7.618 7.549 1.00 5.96 C ATOM 0 H LEU A 208 12.430 -11.923 7.067 1.00 7.59 H new ATOM 0 HA LEU A 208 12.838 -9.878 9.174 1.00 7.05 H new ATOM 0 HB2 LEU A 208 10.964 -10.123 6.957 1.00 6.63 H new ATOM 0 HB3 LEU A 208 10.115 -10.079 8.489 1.00 6.63 H new ATOM 0 HG LEU A 208 11.369 -7.981 9.062 1.00 6.34 H new ATOM 0 HD11 LEU A 208 12.449 -6.743 7.230 1.00 6.60 H new ATOM 0 HD12 LEU A 208 13.286 -8.274 7.580 1.00 6.60 H new ATOM 0 HD13 LEU A 208 12.225 -8.144 6.157 1.00 6.60 H new ATOM 0 HD21 LEU A 208 10.022 -6.535 7.580 1.00 5.96 H new ATOM 0 HD22 LEU A 208 9.693 -7.931 6.526 1.00 5.96 H new ATOM 0 HD23 LEU A 208 9.078 -7.912 8.196 1.00 5.96 H new ATOM 872 N THR A 209 11.871 -11.344 10.920 1.00 6.97 N ATOM 873 CA THR A 209 11.379 -12.228 11.960 1.00 7.00 C ATOM 874 C THR A 209 9.878 -12.003 12.153 1.00 6.57 C ATOM 875 O THR A 209 9.340 -11.009 11.659 1.00 6.24 O ATOM 876 CB THR A 209 12.125 -11.994 13.292 1.00 7.40 C ATOM 877 OG1 THR A 209 11.917 -10.653 13.750 1.00 7.39 O ATOM 878 CG2 THR A 209 13.615 -12.251 13.126 1.00 7.89 C ATOM 0 H THR A 209 12.401 -10.542 11.260 1.00 6.97 H new ATOM 0 HA THR A 209 11.559 -13.258 11.652 1.00 7.00 H new ATOM 0 HB THR A 209 11.727 -12.691 14.030 1.00 7.40 H new ATOM 0 HG1 THR A 209 12.500 -10.043 13.251 1.00 7.39 H new ATOM 0 HG21 THR A 209 14.122 -12.080 14.076 1.00 7.89 H new ATOM 0 HG22 THR A 209 13.773 -13.282 12.810 1.00 7.89 H new ATOM 0 HG23 THR A 209 14.019 -11.575 12.373 1.00 7.89 H new ATOM 886 N PRO A 210 9.171 -12.924 12.841 1.00 6.66 N ATOM 887 CA PRO A 210 7.727 -12.783 13.085 1.00 6.45 C ATOM 888 C PRO A 210 7.359 -11.397 13.626 1.00 6.38 C ATOM 889 O PRO A 210 6.330 -10.827 13.262 1.00 6.16 O ATOM 890 CB PRO A 210 7.446 -13.867 14.126 1.00 6.85 C ATOM 891 CG PRO A 210 8.479 -14.913 13.881 1.00 7.16 C ATOM 892 CD PRO A 210 9.707 -14.182 13.409 1.00 7.08 C ATOM 0 HA PRO A 210 7.141 -12.888 12.172 1.00 6.45 H new ATOM 0 HB2 PRO A 210 7.518 -13.470 15.139 1.00 6.85 H new ATOM 0 HB3 PRO A 210 6.440 -14.271 14.013 1.00 6.85 H new ATOM 0 HG2 PRO A 210 8.686 -15.477 14.790 1.00 7.16 H new ATOM 0 HG3 PRO A 210 8.139 -15.629 13.132 1.00 7.16 H new ATOM 0 HD2 PRO A 210 10.398 -13.988 14.230 1.00 7.08 H new ATOM 0 HD3 PRO A 210 10.253 -14.758 12.662 1.00 7.08 H new ATOM 900 N GLN A 211 8.224 -10.857 14.478 1.00 6.66 N ATOM 901 CA GLN A 211 8.006 -9.542 15.066 1.00 6.77 C ATOM 902 C GLN A 211 8.112 -8.440 14.011 1.00 6.45 C ATOM 903 O GLN A 211 7.294 -7.515 13.986 1.00 6.38 O ATOM 904 CB GLN A 211 9.022 -9.277 16.181 1.00 7.30 C ATOM 905 CG GLN A 211 8.866 -7.907 16.823 1.00 7.72 C ATOM 906 CD GLN A 211 10.147 -7.382 17.439 1.00 8.30 C ATOM 907 OE1 GLN A 211 10.417 -6.182 17.393 1.00 8.70 O ATOM 908 NE2 GLN A 211 10.938 -8.266 18.029 1.00 8.61 N ATOM 0 H GLN A 211 9.086 -11.313 14.777 1.00 6.66 H new ATOM 0 HA GLN A 211 6.999 -9.532 15.483 1.00 6.77 H new ATOM 0 HB2 GLN A 211 8.918 -10.044 16.948 1.00 7.30 H new ATOM 0 HB3 GLN A 211 10.029 -9.368 15.774 1.00 7.30 H new ATOM 0 HG2 GLN A 211 8.516 -7.199 16.071 1.00 7.72 H new ATOM 0 HG3 GLN A 211 8.096 -7.960 17.593 1.00 7.72 H new ATOM 0 HE21 GLN A 211 10.678 -9.252 18.045 1.00 8.61 H new ATOM 0 HE22 GLN A 211 11.807 -7.960 18.467 1.00 8.61 H new ATOM 917 N ASP A 212 9.106 -8.551 13.133 1.00 6.37 N ATOM 918 CA ASP A 212 9.327 -7.547 12.097 1.00 6.18 C ATOM 919 C ASP A 212 8.195 -7.557 11.079 1.00 5.63 C ATOM 920 O ASP A 212 7.801 -6.512 10.566 1.00 5.44 O ATOM 921 CB ASP A 212 10.657 -7.789 11.377 1.00 6.44 C ATOM 922 CG ASP A 212 11.820 -7.998 12.323 1.00 7.03 C ATOM 923 OD1 ASP A 212 11.883 -7.316 13.368 1.00 7.38 O ATOM 924 OD2 ASP A 212 12.674 -8.865 12.030 1.00 7.34 O1- ATOM 0 H ASP A 212 9.770 -9.325 13.119 1.00 6.37 H new ATOM 0 HA ASP A 212 9.357 -6.574 12.587 1.00 6.18 H new ATOM 0 HB2 ASP A 212 10.560 -8.663 10.733 1.00 6.44 H new ATOM 0 HB3 ASP A 212 10.872 -6.939 10.730 1.00 6.44 H new ATOM 929 N MET A 213 7.670 -8.748 10.808 1.00 5.47 N ATOM 930 CA MET A 213 6.580 -8.912 9.848 1.00 5.06 C ATOM 931 C MET A 213 5.375 -8.060 10.230 1.00 4.94 C ATOM 932 O MET A 213 4.756 -7.427 9.375 1.00 4.64 O ATOM 933 CB MET A 213 6.168 -10.382 9.751 1.00 5.15 C ATOM 934 CG MET A 213 7.081 -11.219 8.867 1.00 5.33 C ATOM 935 SD MET A 213 7.139 -10.625 7.165 1.00 5.56 S ATOM 936 CE MET A 213 7.949 -12.003 6.356 1.00 5.57 C ATOM 0 H MET A 213 7.982 -9.617 11.241 1.00 5.47 H new ATOM 0 HA MET A 213 6.942 -8.578 8.876 1.00 5.06 H new ATOM 0 HB2 MET A 213 6.153 -10.812 10.752 1.00 5.15 H new ATOM 0 HB3 MET A 213 5.151 -10.440 9.364 1.00 5.15 H new ATOM 0 HG2 MET A 213 8.088 -11.213 9.284 1.00 5.33 H new ATOM 0 HG3 MET A 213 6.738 -12.254 8.875 1.00 5.33 H new ATOM 0 HE1 MET A 213 8.059 -11.788 5.293 1.00 5.57 H new ATOM 0 HE2 MET A 213 8.933 -12.157 6.798 1.00 5.57 H new ATOM 0 HE3 MET A 213 7.349 -12.904 6.484 1.00 5.57 H new ATOM 946 N GLU A 214 5.054 -8.038 11.520 1.00 5.29 N ATOM 947 CA GLU A 214 3.926 -7.257 12.015 1.00 5.44 C ATOM 948 C GLU A 214 4.165 -5.765 11.816 1.00 5.41 C ATOM 949 O GLU A 214 3.280 -5.034 11.367 1.00 5.42 O ATOM 950 CB GLU A 214 3.686 -7.548 13.498 1.00 6.00 C ATOM 951 CG GLU A 214 3.017 -8.888 13.757 1.00 6.18 C ATOM 952 CD GLU A 214 1.585 -8.926 13.264 1.00 6.23 C ATOM 953 OE1 GLU A 214 0.807 -8.008 13.605 1.00 6.43 O ATOM 954 OE2 GLU A 214 1.225 -9.876 12.533 1.00 6.40 O1- ATOM 0 H GLU A 214 5.559 -8.552 12.241 1.00 5.29 H new ATOM 0 HA GLU A 214 3.043 -7.546 11.445 1.00 5.44 H new ATOM 0 HB2 GLU A 214 4.640 -7.521 14.024 1.00 6.00 H new ATOM 0 HB3 GLU A 214 3.067 -6.756 13.919 1.00 6.00 H new ATOM 0 HG2 GLU A 214 3.588 -9.676 13.266 1.00 6.18 H new ATOM 0 HG3 GLU A 214 3.036 -9.099 14.826 1.00 6.18 H new ATOM 961 N ALA A 215 5.376 -5.324 12.124 1.00 5.51 N ATOM 962 CA ALA A 215 5.738 -3.919 12.003 1.00 5.66 C ATOM 963 C ALA A 215 5.745 -3.455 10.547 1.00 5.27 C ATOM 964 O ALA A 215 5.390 -2.314 10.246 1.00 5.33 O ATOM 965 CB ALA A 215 7.098 -3.675 12.633 1.00 6.08 C ATOM 0 H ALA A 215 6.129 -5.923 12.462 1.00 5.51 H new ATOM 0 HA ALA A 215 4.982 -3.338 12.531 1.00 5.66 H new ATOM 0 HB1 ALA A 215 7.360 -2.621 12.537 1.00 6.08 H new ATOM 0 HB2 ALA A 215 7.064 -3.946 13.688 1.00 6.08 H new ATOM 0 HB3 ALA A 215 7.848 -4.282 12.126 1.00 6.08 H new ATOM 971 N ALA A 216 6.131 -4.347 9.646 1.00 4.95 N ATOM 972 CA ALA A 216 6.199 -4.021 8.230 1.00 4.66 C ATOM 973 C ALA A 216 4.803 -3.848 7.651 1.00 4.31 C ATOM 974 O ALA A 216 4.587 -3.033 6.752 1.00 4.17 O ATOM 975 CB ALA A 216 6.960 -5.101 7.478 1.00 4.61 C ATOM 0 H ALA A 216 6.402 -5.304 9.872 1.00 4.95 H new ATOM 0 HA ALA A 216 6.732 -3.077 8.117 1.00 4.66 H new ATOM 0 HB1 ALA A 216 7.004 -4.845 6.419 1.00 4.61 H new ATOM 0 HB2 ALA A 216 7.972 -5.177 7.875 1.00 4.61 H new ATOM 0 HB3 ALA A 216 6.450 -6.057 7.599 1.00 4.61 H new ATOM 981 N LYS A 217 3.856 -4.613 8.181 1.00 4.31 N ATOM 982 CA LYS A 217 2.478 -4.545 7.715 1.00 4.20 C ATOM 983 C LYS A 217 1.833 -3.222 8.105 1.00 4.42 C ATOM 984 O LYS A 217 1.007 -2.686 7.364 1.00 4.34 O ATOM 985 CB LYS A 217 1.664 -5.714 8.266 1.00 4.47 C ATOM 986 CG LYS A 217 1.918 -7.015 7.528 1.00 4.63 C ATOM 987 CD LYS A 217 1.074 -8.147 8.081 1.00 5.07 C ATOM 988 CE LYS A 217 1.478 -8.503 9.504 1.00 5.46 C ATOM 989 NZ LYS A 217 0.984 -9.845 9.897 1.00 5.88 N1+ ATOM 0 H LYS A 217 4.017 -5.285 8.931 1.00 4.31 H new ATOM 0 HA LYS A 217 2.490 -4.611 6.627 1.00 4.20 H new ATOM 0 HB2 LYS A 217 1.902 -5.849 9.321 1.00 4.47 H new ATOM 0 HB3 LYS A 217 0.603 -5.470 8.207 1.00 4.47 H new ATOM 0 HG2 LYS A 217 1.699 -6.881 6.469 1.00 4.63 H new ATOM 0 HG3 LYS A 217 2.973 -7.277 7.604 1.00 4.63 H new ATOM 0 HD2 LYS A 217 0.022 -7.861 8.061 1.00 5.07 H new ATOM 0 HD3 LYS A 217 1.177 -9.024 7.442 1.00 5.07 H new ATOM 0 HE2 LYS A 217 2.564 -8.476 9.591 1.00 5.46 H new ATOM 0 HE3 LYS A 217 1.084 -7.755 10.192 1.00 5.46 H new ATOM 0 HZ1 LYS A 217 1.294 -10.059 10.867 1.00 5.88 H new ATOM 0 HZ2 LYS A 217 -0.055 -9.859 9.854 1.00 5.88 H new ATOM 0 HZ3 LYS A 217 1.367 -10.560 9.246 1.00 5.88 H new ATOM 1003 N GLU A 218 2.224 -2.702 9.259 1.00 0.00 N ATOM 1004 CA GLU A 218 1.699 -1.426 9.735 1.00 0.00 C ATOM 1005 C GLU A 218 2.050 -0.308 8.783 1.00 0.00 C ATOM 1006 O GLU A 218 1.205 0.501 8.412 1.00 0.00 O ATOM 1007 CB GLU A 218 2.258 -1.125 11.155 1.00 0.00 C ATOM 1008 CG GLU A 218 1.756 -2.070 12.295 1.00 0.00 C ATOM 1009 CD GLU A 218 2.302 -1.863 13.696 1.00 0.00 C ATOM 1010 OE1 GLU A 218 3.160 -0.989 13.926 1.00 0.00 O ATOM 1011 OE2 GLU A 218 1.835 -2.599 14.590 1.00 0.00 O1- ATOM 0 H GLU A 218 2.901 -3.141 9.883 1.00 0.00 H new ATOM 0 HA GLU A 218 0.612 -1.494 9.785 1.00 0.00 H new ATOM 0 HB2 GLU A 218 3.346 -1.179 11.116 1.00 0.00 H new ATOM 0 HB3 GLU A 218 1.999 -0.099 11.418 1.00 0.00 H new ATOM 0 HG2 GLU A 218 0.671 -1.982 12.345 1.00 0.00 H new ATOM 0 HG3 GLU A 218 1.980 -3.095 11.999 1.00 0.00 H new ATOM 1018 N VAL A 219 3.315 -0.287 8.371 1.00 4.99 N ATOM 1019 CA VAL A 219 3.813 0.725 7.447 1.00 5.07 C ATOM 1020 C VAL A 219 3.008 0.722 6.151 1.00 4.71 C ATOM 1021 O VAL A 219 2.603 1.777 5.658 1.00 4.89 O ATOM 1022 CB VAL A 219 5.303 0.490 7.126 1.00 5.20 C ATOM 1023 CG1 VAL A 219 5.833 1.552 6.175 1.00 5.47 C ATOM 1024 CG2 VAL A 219 6.121 0.462 8.407 1.00 5.63 C ATOM 0 H VAL A 219 4.017 -0.965 8.666 1.00 4.99 H new ATOM 0 HA VAL A 219 3.702 1.695 7.932 1.00 5.07 H new ATOM 0 HB VAL A 219 5.395 -0.477 6.632 1.00 5.20 H new ATOM 0 HG11 VAL A 219 6.886 1.361 5.966 1.00 5.47 H new ATOM 0 HG12 VAL A 219 5.267 1.522 5.244 1.00 5.47 H new ATOM 0 HG13 VAL A 219 5.726 2.536 6.632 1.00 5.47 H new ATOM 0 HG21 VAL A 219 7.171 0.295 8.165 1.00 5.63 H new ATOM 0 HG22 VAL A 219 6.015 1.414 8.927 1.00 5.63 H new ATOM 0 HG23 VAL A 219 5.764 -0.344 9.049 1.00 5.63 H new ATOM 1034 N TYR A 220 2.766 -0.471 5.621 1.00 4.28 N ATOM 1035 CA TYR A 220 2.008 -0.630 4.382 1.00 4.00 C ATOM 1036 C TYR A 220 0.603 -0.038 4.517 1.00 4.14 C ATOM 1037 O TYR A 220 0.147 0.705 3.644 1.00 4.18 O ATOM 1038 CB TYR A 220 1.924 -2.113 4.001 1.00 3.69 C ATOM 1039 CG TYR A 220 1.308 -2.360 2.642 1.00 3.55 C ATOM 1040 CD1 TYR A 220 1.892 -1.848 1.490 1.00 3.97 C ATOM 1041 CD2 TYR A 220 0.139 -3.098 2.513 1.00 3.52 C ATOM 1042 CE1 TYR A 220 1.329 -2.065 0.247 1.00 4.12 C ATOM 1043 CE2 TYR A 220 -0.432 -3.319 1.271 1.00 3.66 C ATOM 1044 CZ TYR A 220 0.169 -2.799 0.144 1.00 3.85 C ATOM 1045 OH TYR A 220 -0.396 -3.014 -1.092 1.00 4.23 O ATOM 0 H TYR A 220 3.085 -1.348 6.032 1.00 4.28 H new ATOM 0 HA TYR A 220 2.529 -0.089 3.592 1.00 4.00 H new ATOM 0 HB2 TYR A 220 2.927 -2.540 4.018 1.00 3.69 H new ATOM 0 HB3 TYR A 220 1.340 -2.640 4.756 1.00 3.69 H new ATOM 0 HD1 TYR A 220 2.801 -1.271 1.567 1.00 3.97 H new ATOM 0 HD2 TYR A 220 -0.332 -3.506 3.395 1.00 3.52 H new ATOM 0 HE1 TYR A 220 1.796 -1.661 -0.639 1.00 4.12 H new ATOM 0 HE2 TYR A 220 -1.342 -3.895 1.186 1.00 3.66 H new ATOM 0 HH TYR A 220 -1.210 -3.551 -0.991 1.00 4.23 H new ATOM 1055 N LYS A 221 -0.063 -0.349 5.623 1.00 4.37 N ATOM 1056 CA LYS A 221 -1.416 0.138 5.871 1.00 4.73 C ATOM 1057 C LYS A 221 -1.451 1.662 5.985 1.00 5.09 C ATOM 1058 O LYS A 221 -2.281 2.320 5.355 1.00 5.27 O ATOM 1059 CB LYS A 221 -1.978 -0.489 7.148 1.00 5.11 C ATOM 1060 CG LYS A 221 -2.151 -1.997 7.067 1.00 5.12 C ATOM 1061 CD LYS A 221 -2.647 -2.571 8.385 1.00 5.57 C ATOM 1062 CE LYS A 221 -2.844 -4.076 8.298 1.00 5.79 C ATOM 1063 NZ LYS A 221 -3.352 -4.642 9.575 1.00 6.17 N1+ ATOM 0 H LYS A 221 0.313 -0.939 6.365 1.00 4.37 H new ATOM 0 HA LYS A 221 -2.033 -0.153 5.021 1.00 4.73 H new ATOM 0 HB2 LYS A 221 -1.314 -0.253 7.980 1.00 5.11 H new ATOM 0 HB3 LYS A 221 -2.943 -0.034 7.371 1.00 5.11 H new ATOM 0 HG2 LYS A 221 -2.857 -2.241 6.273 1.00 5.12 H new ATOM 0 HG3 LYS A 221 -1.201 -2.460 6.802 1.00 5.12 H new ATOM 0 HD2 LYS A 221 -1.932 -2.342 9.175 1.00 5.57 H new ATOM 0 HD3 LYS A 221 -3.588 -2.095 8.659 1.00 5.57 H new ATOM 0 HE2 LYS A 221 -3.545 -4.305 7.495 1.00 5.79 H new ATOM 0 HE3 LYS A 221 -1.898 -4.552 8.041 1.00 5.79 H new ATOM 0 HZ1 LYS A 221 -3.473 -5.670 9.475 1.00 6.17 H new ATOM 0 HZ2 LYS A 221 -2.672 -4.446 10.337 1.00 6.17 H new ATOM 0 HZ3 LYS A 221 -4.267 -4.207 9.808 1.00 6.17 H new ATOM 1077 N ILE A 222 -0.539 2.216 6.779 1.00 5.30 N ATOM 1078 CA ILE A 222 -0.465 3.662 6.984 1.00 5.78 C ATOM 1079 C ILE A 222 -0.205 4.400 5.669 1.00 5.68 C ATOM 1080 O ILE A 222 -0.855 5.406 5.371 1.00 6.01 O ATOM 1081 CB ILE A 222 0.640 4.031 8.001 1.00 6.15 C ATOM 1082 CG1 ILE A 222 0.362 3.371 9.355 1.00 6.30 C ATOM 1083 CG2 ILE A 222 0.737 5.544 8.164 1.00 6.74 C ATOM 1084 CD1 ILE A 222 1.575 3.310 10.257 1.00 6.53 C ATOM 0 H ILE A 222 0.163 1.684 7.294 1.00 5.30 H new ATOM 0 HA ILE A 222 -1.432 3.973 7.380 1.00 5.78 H new ATOM 0 HB ILE A 222 1.592 3.662 7.620 1.00 6.15 H new ATOM 0 HG12 ILE A 222 -0.431 3.921 9.862 1.00 6.30 H new ATOM 0 HG13 ILE A 222 -0.008 2.359 9.188 1.00 6.30 H new ATOM 0 HG21 ILE A 222 1.520 5.783 8.884 1.00 6.74 H new ATOM 0 HG22 ILE A 222 0.976 5.999 7.203 1.00 6.74 H new ATOM 0 HG23 ILE A 222 -0.216 5.933 8.522 1.00 6.74 H new ATOM 0 HD11 ILE A 222 1.305 2.831 11.198 1.00 6.53 H new ATOM 0 HD12 ILE A 222 2.362 2.735 9.770 1.00 6.53 H new ATOM 0 HD13 ILE A 222 1.933 4.320 10.454 1.00 6.53 H new ATOM 1096 N HIS A 223 0.726 3.883 4.878 1.00 5.31 N ATOM 1097 CA HIS A 223 1.076 4.500 3.602 1.00 5.36 C ATOM 1098 C HIS A 223 -0.121 4.523 2.652 1.00 5.26 C ATOM 1099 O HIS A 223 -0.313 5.484 1.904 1.00 5.59 O ATOM 1100 CB HIS A 223 2.253 3.760 2.958 1.00 5.11 C ATOM 1101 CG HIS A 223 2.992 4.573 1.938 1.00 5.45 C ATOM 1102 ND1 HIS A 223 3.839 3.980 1.037 1.00 5.42 N ATOM 1103 CD2 HIS A 223 2.985 5.912 1.724 1.00 5.95 C ATOM 1104 CE1 HIS A 223 4.322 4.959 0.294 1.00 5.92 C ATOM 1105 NE2 HIS A 223 3.833 6.148 0.673 1.00 6.23 N ATOM 0 H HIS A 223 1.253 3.038 5.096 1.00 5.31 H new ATOM 0 HA HIS A 223 1.371 5.531 3.796 1.00 5.36 H new ATOM 0 HB2 HIS A 223 2.949 3.454 3.739 1.00 5.11 H new ATOM 0 HB3 HIS A 223 1.884 2.850 2.486 1.00 5.11 H new ATOM 0 HD2 HIS A 223 2.421 6.650 2.275 1.00 5.95 H new ATOM 0 HE1 HIS A 223 5.022 4.819 -0.516 1.00 5.92 H new ATOM 0 HE2 HIS A 223 4.050 7.055 0.259 1.00 6.23 H new ATOM 1113 N GLN A 224 -0.929 3.468 2.698 1.00 4.91 N ATOM 1114 CA GLN A 224 -2.109 3.362 1.845 1.00 4.90 C ATOM 1115 C GLN A 224 -3.083 4.508 2.105 1.00 5.38 C ATOM 1116 O GLN A 224 -3.735 5.000 1.183 1.00 5.57 O ATOM 1117 CB GLN A 224 -2.819 2.023 2.066 1.00 4.63 C ATOM 1118 CG GLN A 224 -2.114 0.837 1.425 1.00 4.79 C ATOM 1119 CD GLN A 224 -2.550 0.581 -0.008 1.00 4.97 C ATOM 1120 OE1 GLN A 224 -2.493 -0.548 -0.490 1.00 5.09 O ATOM 1121 NE2 GLN A 224 -2.981 1.623 -0.701 1.00 5.38 N ATOM 0 H GLN A 224 -0.788 2.671 3.319 1.00 4.91 H new ATOM 0 HA GLN A 224 -1.771 3.420 0.810 1.00 4.90 H new ATOM 0 HB2 GLN A 224 -2.909 1.844 3.137 1.00 4.63 H new ATOM 0 HB3 GLN A 224 -3.831 2.090 1.668 1.00 4.63 H new ATOM 0 HG2 GLN A 224 -1.038 1.009 1.445 1.00 4.79 H new ATOM 0 HG3 GLN A 224 -2.305 -0.056 2.021 1.00 4.79 H new ATOM 0 HE21 GLN A 224 -3.014 2.546 -0.267 1.00 5.38 H new ATOM 0 HE22 GLN A 224 -3.280 1.503 -1.669 1.00 5.38 H new ATOM 1130 N GLN A 225 -3.165 4.937 3.359 1.00 5.66 N ATOM 1131 CA GLN A 225 -4.072 6.016 3.736 1.00 6.22 C ATOM 1132 C GLN A 225 -3.513 7.369 3.312 1.00 6.53 C ATOM 1133 O GLN A 225 -4.251 8.235 2.839 1.00 6.88 O ATOM 1134 CB GLN A 225 -4.319 5.996 5.244 1.00 6.56 C ATOM 1135 CG GLN A 225 -5.462 6.895 5.683 1.00 6.94 C ATOM 1136 CD GLN A 225 -5.918 6.616 7.098 1.00 7.36 C ATOM 1137 OE1 GLN A 225 -5.124 6.237 7.959 1.00 7.76 O ATOM 1138 NE2 GLN A 225 -7.204 6.784 7.344 1.00 7.56 N ATOM 0 H GLN A 225 -2.617 4.556 4.130 1.00 5.66 H new ATOM 0 HA GLN A 225 -5.020 5.861 3.220 1.00 6.22 H new ATOM 0 HB2 GLN A 225 -4.531 4.973 5.556 1.00 6.56 H new ATOM 0 HB3 GLN A 225 -3.408 6.303 5.757 1.00 6.56 H new ATOM 0 HG2 GLN A 225 -5.149 7.936 5.606 1.00 6.94 H new ATOM 0 HG3 GLN A 225 -6.303 6.764 5.003 1.00 6.94 H new ATOM 0 HE21 GLN A 225 -7.828 7.100 6.602 1.00 7.56 H new ATOM 0 HE22 GLN A 225 -7.573 6.598 8.276 1.00 7.56 H new ATOM 1147 N LEU A 226 -2.209 7.538 3.469 1.00 6.49 N ATOM 1148 CA LEU A 226 -1.545 8.785 3.110 1.00 6.92 C ATOM 1149 C LEU A 226 -1.663 9.053 1.609 1.00 6.85 C ATOM 1150 O LEU A 226 -1.990 10.164 1.192 1.00 7.28 O ATOM 1151 CB LEU A 226 -0.069 8.734 3.519 1.00 7.02 C ATOM 1152 CG LEU A 226 0.749 9.985 3.185 1.00 7.62 C ATOM 1153 CD1 LEU A 226 0.195 11.196 3.917 1.00 7.93 C ATOM 1154 CD2 LEU A 226 2.211 9.770 3.537 1.00 8.09 C ATOM 0 H LEU A 226 -1.585 6.824 3.845 1.00 6.49 H new ATOM 0 HA LEU A 226 -2.036 9.599 3.644 1.00 6.92 H new ATOM 0 HB2 LEU A 226 -0.013 8.560 4.594 1.00 7.02 H new ATOM 0 HB3 LEU A 226 0.396 7.876 3.033 1.00 7.02 H new ATOM 0 HG LEU A 226 0.676 10.171 2.113 1.00 7.62 H new ATOM 0 HD11 LEU A 226 0.789 12.075 3.667 1.00 7.93 H new ATOM 0 HD12 LEU A 226 -0.840 11.360 3.617 1.00 7.93 H new ATOM 0 HD13 LEU A 226 0.238 11.022 4.992 1.00 7.93 H new ATOM 0 HD21 LEU A 226 2.780 10.668 3.294 1.00 8.09 H new ATOM 0 HD22 LEU A 226 2.302 9.561 4.603 1.00 8.09 H new ATOM 0 HD23 LEU A 226 2.602 8.927 2.967 1.00 8.09 H new ATOM 1166 N LEU A 227 -1.416 8.021 0.806 1.00 6.38 N ATOM 1167 CA LEU A 227 -1.487 8.145 -0.646 1.00 6.38 C ATOM 1168 C LEU A 227 -2.900 8.493 -1.107 1.00 6.51 C ATOM 1169 O LEU A 227 -3.084 9.169 -2.119 1.00 6.81 O ATOM 1170 CB LEU A 227 -1.023 6.850 -1.316 1.00 5.94 C ATOM 1171 CG LEU A 227 0.456 6.505 -1.107 1.00 5.92 C ATOM 1172 CD1 LEU A 227 0.747 5.097 -1.610 1.00 5.56 C ATOM 1173 CD2 LEU A 227 1.349 7.517 -1.813 1.00 6.51 C ATOM 0 H LEU A 227 -1.165 7.090 1.137 1.00 6.38 H new ATOM 0 HA LEU A 227 -0.824 8.958 -0.941 1.00 6.38 H new ATOM 0 HB2 LEU A 227 -1.629 6.026 -0.939 1.00 5.94 H new ATOM 0 HB3 LEU A 227 -1.215 6.923 -2.386 1.00 5.94 H new ATOM 0 HG LEU A 227 0.671 6.545 -0.039 1.00 5.92 H new ATOM 0 HD11 LEU A 227 1.801 4.866 -1.455 1.00 5.56 H new ATOM 0 HD12 LEU A 227 0.134 4.381 -1.062 1.00 5.56 H new ATOM 0 HD13 LEU A 227 0.514 5.035 -2.673 1.00 5.56 H new ATOM 0 HD21 LEU A 227 2.395 7.254 -1.652 1.00 6.51 H new ATOM 0 HD22 LEU A 227 1.133 7.510 -2.881 1.00 6.51 H new ATOM 0 HD23 LEU A 227 1.159 8.512 -1.411 1.00 6.51 H new ATOM 1185 N PHE A 228 -3.891 8.035 -0.355 1.00 6.38 N ATOM 1186 CA PHE A 228 -5.284 8.301 -0.687 1.00 6.62 C ATOM 1187 C PHE A 228 -5.595 9.791 -0.571 1.00 7.17 C ATOM 1188 O PHE A 228 -6.186 10.387 -1.473 1.00 7.44 O ATOM 1189 CB PHE A 228 -6.209 7.494 0.228 1.00 6.57 C ATOM 1190 CG PHE A 228 -7.650 7.538 -0.171 1.00 6.89 C ATOM 1191 CD1 PHE A 228 -8.101 6.822 -1.267 1.00 7.26 C ATOM 1192 CD2 PHE A 228 -8.554 8.290 0.553 1.00 7.04 C ATOM 1193 CE1 PHE A 228 -9.429 6.860 -1.633 1.00 7.64 C ATOM 1194 CE2 PHE A 228 -9.883 8.333 0.194 1.00 7.43 C ATOM 1195 CZ PHE A 228 -10.323 7.618 -0.901 1.00 7.67 C ATOM 0 H PHE A 228 -3.757 7.478 0.489 1.00 6.38 H new ATOM 0 HA PHE A 228 -5.454 7.996 -1.720 1.00 6.62 H new ATOM 0 HB2 PHE A 228 -5.877 6.456 0.238 1.00 6.57 H new ATOM 0 HB3 PHE A 228 -6.113 7.870 1.247 1.00 6.57 H new ATOM 0 HD1 PHE A 228 -7.405 6.228 -1.841 1.00 7.26 H new ATOM 0 HD2 PHE A 228 -8.215 8.851 1.411 1.00 7.04 H new ATOM 0 HE1 PHE A 228 -9.770 6.299 -2.490 1.00 7.64 H new ATOM 0 HE2 PHE A 228 -10.580 8.925 0.769 1.00 7.43 H new ATOM 0 HZ PHE A 228 -11.364 7.651 -1.186 1.00 7.67 H new ATOM 1205 N LYS A 229 -5.169 10.389 0.535 1.00 7.38 N ATOM 1206 CA LYS A 229 -5.399 11.810 0.781 1.00 7.96 C ATOM 1207 C LYS A 229 -4.621 12.669 -0.213 1.00 8.17 C ATOM 1208 O LYS A 229 -5.053 13.767 -0.579 1.00 8.60 O ATOM 1209 CB LYS A 229 -4.994 12.171 2.211 1.00 8.19 C ATOM 1210 CG LYS A 229 -5.814 11.468 3.284 1.00 8.20 C ATOM 1211 CD LYS A 229 -7.256 11.943 3.282 1.00 8.62 C ATOM 1212 CE LYS A 229 -7.902 11.737 4.642 1.00 8.81 C ATOM 1213 NZ LYS A 229 -9.325 12.173 4.653 1.00 9.36 N1+ ATOM 0 H LYS A 229 -4.661 9.911 1.279 1.00 7.38 H new ATOM 0 HA LYS A 229 -6.463 12.009 0.649 1.00 7.96 H new ATOM 0 HB2 LYS A 229 -3.942 11.924 2.353 1.00 8.19 H new ATOM 0 HB3 LYS A 229 -5.089 13.249 2.343 1.00 8.19 H new ATOM 0 HG2 LYS A 229 -5.784 10.391 3.119 1.00 8.20 H new ATOM 0 HG3 LYS A 229 -5.370 11.653 4.262 1.00 8.20 H new ATOM 0 HD2 LYS A 229 -7.294 12.999 3.014 1.00 8.62 H new ATOM 0 HD3 LYS A 229 -7.820 11.401 2.522 1.00 8.62 H new ATOM 0 HE2 LYS A 229 -7.843 10.684 4.916 1.00 8.81 H new ATOM 0 HE3 LYS A 229 -7.346 12.294 5.396 1.00 8.81 H new ATOM 0 HZ1 LYS A 229 -9.729 12.016 5.598 1.00 9.36 H new ATOM 0 HZ2 LYS A 229 -9.380 13.184 4.417 1.00 9.36 H new ATOM 0 HZ3 LYS A 229 -9.862 11.624 3.952 1.00 9.36 H new ATOM 1227 N ALA A 230 -3.477 12.161 -0.654 1.00 7.94 N ATOM 1228 CA ALA A 230 -2.633 12.876 -1.605 1.00 8.24 C ATOM 1229 C ALA A 230 -3.313 13.001 -2.969 1.00 8.26 C ATOM 1230 O ALA A 230 -3.066 13.954 -3.712 1.00 8.69 O ATOM 1231 CB ALA A 230 -1.291 12.175 -1.743 1.00 8.09 C ATOM 0 H ALA A 230 -3.111 11.253 -0.367 1.00 7.94 H new ATOM 0 HA ALA A 230 -2.470 13.883 -1.222 1.00 8.24 H new ATOM 0 HB1 ALA A 230 -0.669 12.717 -2.455 1.00 8.09 H new ATOM 0 HB2 ALA A 230 -0.793 12.148 -0.774 1.00 8.09 H new ATOM 0 HB3 ALA A 230 -1.447 11.157 -2.099 1.00 8.09 H new ATOM 1603 N ASN B 116 -11.494 -7.221 1.529 1.00 11.51 N ATOM 1604 CA ASN B 116 -10.475 -6.517 0.758 1.00 10.99 C ATOM 1605 C ASN B 116 -9.210 -6.286 1.574 1.00 10.00 C ATOM 1606 O ASN B 116 -8.105 -6.359 1.039 1.00 9.54 O ATOM 1607 CB ASN B 116 -11.012 -5.178 0.250 1.00 11.43 C ATOM 1608 CG ASN B 116 -10.728 -4.959 -1.224 1.00 11.80 C ATOM 1609 OD1 ASN B 116 -9.815 -5.558 -1.795 1.00 12.04 O ATOM 1610 ND2 ASN B 116 -11.517 -4.104 -1.854 1.00 12.05 N ATOM 0 HA ASN B 116 -10.221 -7.150 -0.092 1.00 10.99 H new ATOM 0 HB2 ASN B 116 -12.088 -5.134 0.420 1.00 11.43 H new ATOM 0 HB3 ASN B 116 -10.565 -4.369 0.827 1.00 11.43 H new ATOM 0 HD21 ASN B 116 -11.380 -3.921 -2.848 1.00 12.05 H new ATOM 0 HD22 ASN B 116 -12.262 -3.628 -1.346 1.00 12.05 H new ATOM 1617 N SER B 117 -9.366 -6.016 2.868 1.00 9.85 N ATOM 1618 CA SER B 117 -8.215 -5.768 3.738 1.00 9.09 C ATOM 1619 C SER B 117 -7.299 -6.990 3.809 1.00 8.48 C ATOM 1620 O SER B 117 -6.107 -6.874 4.101 1.00 7.94 O ATOM 1621 CB SER B 117 -8.678 -5.369 5.144 1.00 9.58 C ATOM 1622 OG SER B 117 -9.677 -4.360 5.090 1.00 10.42 O ATOM 0 H SER B 117 -10.271 -5.963 3.336 1.00 9.85 H new ATOM 0 HA SER B 117 -7.646 -4.944 3.308 1.00 9.09 H new ATOM 0 HB2 SER B 117 -9.069 -6.244 5.663 1.00 9.58 H new ATOM 0 HB3 SER B 117 -7.826 -5.010 5.722 1.00 9.58 H new ATOM 0 HG SER B 117 -9.955 -4.126 6.000 1.00 10.42 H new ATOM 1628 N LYS B 118 -7.865 -8.161 3.530 1.00 8.71 N ATOM 1629 CA LYS B 118 -7.109 -9.407 3.550 1.00 8.32 C ATOM 1630 C LYS B 118 -5.985 -9.358 2.519 1.00 7.50 C ATOM 1631 O LYS B 118 -4.882 -9.854 2.756 1.00 7.07 O ATOM 1632 CB LYS B 118 -8.030 -10.598 3.242 1.00 9.09 C ATOM 1633 CG LYS B 118 -9.369 -10.569 3.966 1.00 9.49 C ATOM 1634 CD LYS B 118 -9.226 -10.917 5.440 1.00 10.17 C ATOM 1635 CE LYS B 118 -10.588 -11.112 6.091 1.00 10.68 C ATOM 1636 NZ LYS B 118 -10.481 -11.319 7.560 1.00 11.16 N1+ ATOM 0 H LYS B 118 -8.849 -8.272 3.286 1.00 8.71 H new ATOM 0 HA LYS B 118 -6.682 -9.532 4.545 1.00 8.32 H new ATOM 0 HB2 LYS B 118 -8.213 -10.630 2.168 1.00 9.09 H new ATOM 0 HB3 LYS B 118 -7.510 -11.519 3.504 1.00 9.09 H new ATOM 0 HG2 LYS B 118 -9.813 -9.578 3.869 1.00 9.49 H new ATOM 0 HG3 LYS B 118 -10.053 -11.273 3.492 1.00 9.49 H new ATOM 0 HD2 LYS B 118 -8.635 -11.827 5.547 1.00 10.17 H new ATOM 0 HD3 LYS B 118 -8.684 -10.123 5.954 1.00 10.17 H new ATOM 0 HE2 LYS B 118 -11.212 -10.241 5.893 1.00 10.68 H new ATOM 0 HE3 LYS B 118 -11.086 -11.970 5.640 1.00 10.68 H new ATOM 0 HZ1 LYS B 118 -11.431 -11.448 7.963 1.00 11.16 H new ATOM 0 HZ2 LYS B 118 -9.907 -12.165 7.750 1.00 11.16 H new ATOM 0 HZ3 LYS B 118 -10.030 -10.489 7.996 1.00 11.16 H new ATOM 1650 N GLU B 119 -6.269 -8.717 1.391 1.00 7.48 N ATOM 1651 CA GLU B 119 -5.314 -8.606 0.293 1.00 6.99 C ATOM 1652 C GLU B 119 -4.064 -7.827 0.683 1.00 6.13 C ATOM 1653 O GLU B 119 -2.961 -8.178 0.268 1.00 5.77 O ATOM 1654 CB GLU B 119 -5.977 -7.938 -0.908 1.00 7.65 C ATOM 1655 CG GLU B 119 -6.896 -8.867 -1.680 1.00 8.43 C ATOM 1656 CD GLU B 119 -6.149 -10.030 -2.300 1.00 9.01 C ATOM 1657 OE1 GLU B 119 -5.171 -9.785 -3.039 1.00 9.37 O1- ATOM 1658 OE2 GLU B 119 -6.531 -11.192 -2.047 1.00 9.34 O ATOM 0 H GLU B 119 -7.164 -8.261 1.211 1.00 7.48 H new ATOM 0 HA GLU B 119 -5.003 -9.619 0.036 1.00 6.99 H new ATOM 0 HB2 GLU B 119 -6.548 -7.075 -0.566 1.00 7.65 H new ATOM 0 HB3 GLU B 119 -5.204 -7.563 -1.579 1.00 7.65 H new ATOM 0 HG2 GLU B 119 -7.668 -9.249 -1.012 1.00 8.43 H new ATOM 0 HG3 GLU B 119 -7.403 -8.304 -2.464 1.00 8.43 H new ATOM 1665 N TRP B 120 -4.238 -6.779 1.478 1.00 6.01 N ATOM 1666 CA TRP B 120 -3.115 -5.952 1.904 1.00 5.38 C ATOM 1667 C TRP B 120 -2.207 -6.721 2.857 1.00 4.90 C ATOM 1668 O TRP B 120 -0.983 -6.632 2.781 1.00 4.43 O ATOM 1669 CB TRP B 120 -3.609 -4.670 2.589 1.00 5.80 C ATOM 1670 CG TRP B 120 -4.803 -4.036 1.937 1.00 5.98 C ATOM 1671 CD1 TRP B 120 -5.910 -3.550 2.573 1.00 6.39 C ATOM 1672 CD2 TRP B 120 -5.017 -3.812 0.535 1.00 6.18 C ATOM 1673 NE1 TRP B 120 -6.797 -3.044 1.658 1.00 6.78 N ATOM 1674 CE2 TRP B 120 -6.274 -3.189 0.402 1.00 6.64 C ATOM 1675 CE3 TRP B 120 -4.271 -4.070 -0.622 1.00 6.35 C ATOM 1676 CZ2 TRP B 120 -6.802 -2.832 -0.835 1.00 7.17 C ATOM 1677 CZ3 TRP B 120 -4.797 -3.714 -1.847 1.00 6.93 C ATOM 1678 CH2 TRP B 120 -6.049 -3.096 -1.946 1.00 7.28 C ATOM 0 H TRP B 120 -5.144 -6.481 1.841 1.00 6.01 H new ATOM 0 HA TRP B 120 -2.548 -5.682 1.013 1.00 5.38 H new ATOM 0 HB2 TRP B 120 -3.856 -4.899 3.626 1.00 5.80 H new ATOM 0 HB3 TRP B 120 -2.794 -3.946 2.608 1.00 5.80 H new ATOM 0 HD1 TRP B 120 -6.064 -3.563 3.642 1.00 6.39 H new ATOM 0 HE1 TRP B 120 -7.701 -2.627 1.878 1.00 6.78 H new ATOM 0 HE3 TRP B 120 -3.301 -4.540 -0.556 1.00 6.35 H new ATOM 0 HZ2 TRP B 120 -7.772 -2.363 -0.915 1.00 7.17 H new ATOM 0 HZ3 TRP B 120 -4.233 -3.916 -2.745 1.00 6.93 H new ATOM 0 HH2 TRP B 120 -6.428 -2.822 -2.919 1.00 7.28 H new ATOM 1689 N THR B 121 -2.823 -7.486 3.744 1.00 5.33 N ATOM 1690 CA THR B 121 -2.088 -8.269 4.728 1.00 5.34 C ATOM 1691 C THR B 121 -1.351 -9.448 4.086 1.00 5.03 C ATOM 1692 O THR B 121 -0.387 -9.971 4.644 1.00 5.08 O ATOM 1693 CB THR B 121 -3.047 -8.792 5.814 1.00 6.28 C ATOM 1694 OG1 THR B 121 -3.982 -7.763 6.167 1.00 6.81 O ATOM 1695 CG2 THR B 121 -2.283 -9.230 7.056 1.00 6.77 C ATOM 0 H THR B 121 -3.837 -7.582 3.804 1.00 5.33 H new ATOM 0 HA THR B 121 -1.344 -7.611 5.177 1.00 5.34 H new ATOM 0 HB THR B 121 -3.578 -9.656 5.413 1.00 6.28 H new ATOM 0 HG1 THR B 121 -4.592 -8.098 6.857 1.00 6.81 H new ATOM 0 HG21 THR B 121 -2.985 -9.594 7.806 1.00 6.77 H new ATOM 0 HG22 THR B 121 -1.587 -10.027 6.793 1.00 6.77 H new ATOM 0 HG23 THR B 121 -1.729 -8.383 7.460 1.00 6.77 H new ATOM 1703 N SER B 122 -1.789 -9.835 2.898 1.00 5.01 N ATOM 1704 CA SER B 122 -1.191 -10.955 2.176 1.00 4.99 C ATOM 1705 C SER B 122 0.072 -10.531 1.415 1.00 4.55 C ATOM 1706 O SER B 122 0.391 -11.097 0.369 1.00 4.76 O ATOM 1707 CB SER B 122 -2.218 -11.543 1.204 1.00 5.61 C ATOM 1708 OG SER B 122 -3.418 -11.892 1.876 1.00 6.23 O ATOM 0 H SER B 122 -2.563 -9.388 2.407 1.00 5.01 H new ATOM 0 HA SER B 122 -0.897 -11.710 2.905 1.00 4.99 H new ATOM 0 HB2 SER B 122 -2.435 -10.819 0.418 1.00 5.61 H new ATOM 0 HB3 SER B 122 -1.800 -12.425 0.718 1.00 5.61 H new ATOM 0 HG SER B 122 -3.882 -11.077 2.161 1.00 6.23 H new ATOM 1714 N LEU B 123 0.789 -9.543 1.938 1.00 4.24 N ATOM 1715 CA LEU B 123 1.994 -9.054 1.278 1.00 4.22 C ATOM 1716 C LEU B 123 3.274 -9.461 2.011 1.00 4.10 C ATOM 1717 O LEU B 123 4.349 -9.487 1.410 1.00 4.50 O ATOM 1718 CB LEU B 123 1.932 -7.526 1.144 1.00 4.40 C ATOM 1719 CG LEU B 123 3.109 -6.878 0.401 1.00 5.14 C ATOM 1720 CD1 LEU B 123 3.191 -7.380 -1.037 1.00 5.74 C ATOM 1721 CD2 LEU B 123 2.989 -5.358 0.433 1.00 5.71 C ATOM 0 H LEU B 123 0.559 -9.068 2.811 1.00 4.24 H new ATOM 0 HA LEU B 123 2.029 -9.515 0.291 1.00 4.22 H new ATOM 0 HB2 LEU B 123 1.009 -7.261 0.627 1.00 4.40 H new ATOM 0 HB3 LEU B 123 1.873 -7.093 2.143 1.00 4.40 H new ATOM 0 HG LEU B 123 4.029 -7.164 0.910 1.00 5.14 H new ATOM 0 HD11 LEU B 123 4.033 -6.905 -1.541 1.00 5.74 H new ATOM 0 HD12 LEU B 123 3.330 -8.461 -1.038 1.00 5.74 H new ATOM 0 HD13 LEU B 123 2.268 -7.133 -1.562 1.00 5.74 H new ATOM 0 HD21 LEU B 123 3.832 -4.915 -0.098 1.00 5.71 H new ATOM 0 HD22 LEU B 123 2.058 -5.056 -0.047 1.00 5.71 H new ATOM 0 HD23 LEU B 123 2.991 -5.015 1.467 1.00 5.71 H new