USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 827 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 151 SER OG : rot 161:sc= 1.29 USER MOD Set 1.2: A 154 THR OG1 : rot 165:sc= -0.95 USER MOD Set 2.1: A 16 HIS : no HD1:sc= -7.67! C(o=-18!,f=-16!) USER MOD Set 2.2: A 19 HIS : no HD1:sc= -7.38! C(o=-18!,f=-25!) USER MOD Set 2.3: A 96 THR OG1 : rot -146:sc= -3.19! USER MOD Single : A 12 THR OG1 : rot 38:sc= 0.277 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -117:sc=-0.00345 (180deg=-0.421) USER MOD Single : A 95 GLN : amide:sc= -3.95! K(o=-4!,f=-0.57) USER MOD Single : A 101 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.9!) USER MOD Single : A 102 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.0029) USER MOD Single : A 104 LYS NZ :NH3+ 168:sc= 1.07 (180deg=0.707) USER MOD Single : A 107 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.1) USER MOD Single : A 115 ASN : amide:sc= -6.1! C(o=-6.1!,f=-13!) USER MOD Single : A 116 LYS NZ :NH3+ -140:sc= 2.36 (180deg=0.685) USER MOD Single : A 117 MET CE :methyl -169:sc= -4.17! (180deg=-4.59!) USER MOD Single : A 119 LYS NZ :NH3+ -161:sc= 1.27 (180deg=1.11) USER MOD Single : A 123 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.062) USER MOD Single : A 128 MET CE :methyl 146:sc= -2.27 (180deg=-2.92) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 MET CE :methyl 140:sc= -0.477 (180deg=-1.68!) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.0908 K(o=-0.091,f=-1.7!) USER MOD Single : A 145 THR OG1 : rot -11:sc= -0.48! USER MOD Single : A 148 CYS SG : rot -30:sc= -0.877 USER MOD Single : A 149 LYS NZ :NH3+ -142:sc= 1.16 (180deg=0.99) USER MOD Single : A 153 LYS NZ :NH3+ -156:sc= 1.28 (180deg=0.97) USER MOD Single : A 155 LYS NZ :NH3+ 142:sc= -0.151 (180deg=-0.677) USER MOD Single : A 160 HIS : no HE2:sc= 0.974 K(o=0.97,f=-3.7!) USER MOD Single : A 164 MET CE :methyl -150:sc= -3.6! (180deg=-3.67!) USER MOD ----------------------------------------------------------------- ATOM 171 N THR A 12 -11.510 -3.782 -1.280 1.00 0.44 N ATOM 172 CA THR A 12 -11.421 -4.463 -0.002 1.00 0.45 C ATOM 173 C THR A 12 -10.400 -3.779 0.893 1.00 0.41 C ATOM 174 O THR A 12 -9.327 -3.409 0.433 1.00 0.50 O ATOM 175 CB THR A 12 -11.039 -5.935 -0.212 1.00 0.54 C ATOM 176 OG1 THR A 12 -11.910 -6.500 -1.197 1.00 0.61 O ATOM 177 CG2 THR A 12 -11.151 -6.724 1.085 1.00 0.64 C ATOM 0 HA THR A 12 -12.395 -4.418 0.485 1.00 0.45 H new ATOM 0 HB THR A 12 -10.003 -5.986 -0.546 1.00 0.54 H new ATOM 0 HG1 THR A 12 -12.084 -5.838 -1.899 1.00 0.61 H new ATOM 0 HG21 THR A 12 -10.874 -7.763 0.904 1.00 0.64 H new ATOM 0 HG22 THR A 12 -10.482 -6.295 1.831 1.00 0.64 H new ATOM 0 HG23 THR A 12 -12.177 -6.680 1.450 1.00 0.64 H new ATOM 185 N ILE A 13 -10.739 -3.590 2.161 1.00 0.40 N ATOM 186 CA ILE A 13 -9.831 -2.936 3.089 1.00 0.40 C ATOM 187 C ILE A 13 -9.068 -3.979 3.906 1.00 0.37 C ATOM 188 O ILE A 13 -9.627 -4.996 4.327 1.00 0.52 O ATOM 189 CB ILE A 13 -10.579 -1.954 4.022 1.00 0.52 C ATOM 190 CG1 ILE A 13 -9.583 -1.044 4.752 1.00 1.15 C ATOM 191 CG2 ILE A 13 -11.431 -2.716 5.023 1.00 1.26 C ATOM 192 CD1 ILE A 13 -10.243 0.043 5.574 1.00 1.30 C ATOM 0 H ILE A 13 -11.629 -3.878 2.567 1.00 0.40 H new ATOM 0 HA ILE A 13 -9.118 -2.354 2.505 1.00 0.40 H new ATOM 0 HB ILE A 13 -11.234 -1.332 3.413 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -8.959 -1.653 5.406 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -8.921 -0.582 4.019 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -11.950 -2.010 5.671 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -12.162 -3.324 4.490 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -10.793 -3.361 5.627 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -9.477 0.647 6.061 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -10.845 0.677 4.923 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -10.883 -0.411 6.331 1.00 1.30 H new ATOM 204 N MET A 14 -7.783 -3.736 4.088 1.00 0.26 N ATOM 205 CA MET A 14 -6.896 -4.646 4.782 1.00 0.28 C ATOM 206 C MET A 14 -5.840 -3.857 5.548 1.00 0.24 C ATOM 207 O MET A 14 -5.752 -2.637 5.413 1.00 0.29 O ATOM 208 CB MET A 14 -6.213 -5.558 3.769 1.00 0.36 C ATOM 209 CG MET A 14 -7.094 -6.678 3.240 1.00 0.49 C ATOM 210 SD MET A 14 -6.272 -7.662 1.970 1.00 0.79 S ATOM 211 CE MET A 14 -7.544 -8.860 1.587 1.00 0.69 C ATOM 0 H MET A 14 -7.322 -2.890 3.753 1.00 0.26 H new ATOM 0 HA MET A 14 -7.474 -5.246 5.484 1.00 0.28 H new ATOM 0 HB2 MET A 14 -5.869 -4.955 2.929 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.328 -5.995 4.231 1.00 0.36 H new ATOM 0 HG2 MET A 14 -7.386 -7.327 4.066 1.00 0.49 H new ATOM 0 HG3 MET A 14 -8.010 -6.253 2.830 1.00 0.49 H new ATOM 0 HE1 MET A 14 -7.183 -9.540 0.815 1.00 0.69 H new ATOM 0 HE2 MET A 14 -7.791 -9.428 2.484 1.00 0.69 H new ATOM 0 HE3 MET A 14 -8.434 -8.343 1.228 1.00 0.69 H new ATOM 221 N GLY A 15 -5.041 -4.551 6.342 1.00 0.27 N ATOM 222 CA GLY A 15 -3.978 -3.902 7.068 1.00 0.27 C ATOM 223 C GLY A 15 -3.804 -4.465 8.455 1.00 0.24 C ATOM 224 O GLY A 15 -4.459 -5.444 8.818 1.00 0.31 O ATOM 0 H GLY A 15 -5.113 -5.557 6.495 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -3.045 -4.010 6.515 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -4.187 -2.834 7.136 1.00 0.27 H new ATOM 228 N HIS A 16 -2.918 -3.856 9.225 1.00 0.20 N ATOM 229 CA HIS A 16 -2.623 -4.335 10.570 1.00 0.17 C ATOM 230 C HIS A 16 -3.583 -3.748 11.602 1.00 0.19 C ATOM 231 O HIS A 16 -4.252 -2.742 11.365 1.00 0.22 O ATOM 232 CB HIS A 16 -1.184 -3.987 10.958 1.00 0.17 C ATOM 233 CG HIS A 16 -0.711 -4.632 12.231 1.00 0.16 C ATOM 234 ND1 HIS A 16 -0.812 -5.984 12.440 1.00 0.16 N ATOM 235 CD2 HIS A 16 -0.158 -4.059 13.325 1.00 0.19 C ATOM 236 CE1 HIS A 16 -0.322 -6.197 13.652 1.00 0.19 C ATOM 237 NE2 HIS A 16 0.087 -5.060 14.223 1.00 0.22 N ATOM 0 H HIS A 16 -2.390 -3.030 8.945 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.749 -5.418 10.562 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.520 -4.283 10.146 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -1.100 -2.905 11.060 1.00 0.17 H new ATOM 0 HD2 HIS A 16 0.051 -3.008 13.463 1.00 0.19 H new ATOM 0 HE1 HIS A 16 -0.261 -7.168 14.120 1.00 0.19 H new ATOM 0 HE2 HIS A 16 0.502 -4.959 15.149 1.00 0.22 H new ATOM 245 N VAL A 17 -3.632 -4.404 12.749 1.00 0.20 N ATOM 246 CA VAL A 17 -4.387 -3.923 13.898 1.00 0.25 C ATOM 247 C VAL A 17 -3.668 -2.741 14.515 1.00 0.26 C ATOM 248 O VAL A 17 -2.449 -2.659 14.427 1.00 0.25 O ATOM 249 CB VAL A 17 -4.541 -5.045 14.937 1.00 0.29 C ATOM 250 CG1 VAL A 17 -3.191 -5.668 15.253 1.00 0.30 C ATOM 251 CG2 VAL A 17 -5.166 -4.558 16.217 1.00 0.36 C ATOM 0 H VAL A 17 -3.149 -5.287 12.912 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.379 -3.612 13.571 1.00 0.25 H new ATOM 0 HB VAL A 17 -5.204 -5.789 14.495 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -3.320 -6.460 15.990 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.761 -6.086 14.343 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.523 -4.905 15.653 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -5.253 -5.388 16.918 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -4.542 -3.778 16.653 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -6.157 -4.155 16.008 1.00 0.36 H new ATOM 261 N ASP A 18 -4.424 -1.811 15.101 1.00 0.31 N ATOM 262 CA ASP A 18 -3.857 -0.582 15.679 1.00 0.36 C ATOM 263 C ASP A 18 -3.436 0.374 14.562 1.00 0.34 C ATOM 264 O ASP A 18 -3.395 1.593 14.738 1.00 0.41 O ATOM 265 CB ASP A 18 -2.673 -0.901 16.610 1.00 0.42 C ATOM 266 CG ASP A 18 -2.120 0.326 17.312 1.00 0.55 C ATOM 267 OD1 ASP A 18 -2.795 0.850 18.221 1.00 0.69 O ATOM 268 OD2 ASP A 18 -1.006 0.770 16.962 1.00 0.59 O ATOM 0 H ASP A 18 -5.438 -1.883 15.190 1.00 0.31 H new ATOM 0 HA ASP A 18 -4.624 -0.096 16.282 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -2.992 -1.627 17.358 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -1.878 -1.369 16.030 1.00 0.42 H new ATOM 273 N HIS A 19 -3.149 -0.198 13.404 1.00 0.29 N ATOM 274 CA HIS A 19 -2.861 0.569 12.209 1.00 0.32 C ATOM 275 C HIS A 19 -4.160 0.891 11.492 1.00 0.43 C ATOM 276 O HIS A 19 -4.173 1.592 10.489 1.00 0.63 O ATOM 277 CB HIS A 19 -1.957 -0.214 11.259 1.00 0.29 C ATOM 278 CG HIS A 19 -0.648 -0.624 11.846 1.00 0.22 C ATOM 279 ND1 HIS A 19 0.376 -1.070 11.052 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.251 -0.652 13.139 1.00 0.21 C ATOM 281 CE1 HIS A 19 1.368 -1.361 11.871 1.00 0.26 C ATOM 282 NE2 HIS A 19 1.033 -1.125 13.144 1.00 0.24 N ATOM 0 H HIS A 19 -3.110 -1.208 13.269 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.351 1.485 12.506 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -2.487 -1.107 10.927 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -1.769 0.393 10.374 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -0.834 -0.358 13.999 1.00 0.21 H new ATOM 0 HE1 HIS A 19 2.328 -1.741 11.554 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.623 -1.270 13.963 1.00 0.24 H new ATOM 290 N GLY A 20 -5.255 0.353 12.011 1.00 0.42 N ATOM 291 CA GLY A 20 -6.543 0.587 11.409 1.00 0.54 C ATOM 292 C GLY A 20 -7.638 0.721 12.410 1.00 0.57 C ATOM 293 O GLY A 20 -8.335 1.722 12.379 1.00 0.79 O ATOM 0 H GLY A 20 -5.270 -0.242 12.840 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -6.497 1.494 10.806 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -6.776 -0.235 10.732 1.00 0.54 H new ATOM 297 N LYS A 21 -7.774 -0.269 13.314 1.00 0.61 N ATOM 298 CA LYS A 21 -8.852 -0.324 14.265 1.00 0.95 C ATOM 299 C LYS A 21 -10.220 -0.392 13.580 1.00 0.89 C ATOM 300 O LYS A 21 -10.481 0.268 12.579 1.00 1.05 O ATOM 301 CB LYS A 21 -8.733 0.845 15.244 1.00 1.36 C ATOM 302 CG LYS A 21 -9.409 2.126 14.817 1.00 1.79 C ATOM 303 CD LYS A 21 -9.029 3.299 15.693 1.00 2.30 C ATOM 304 CE LYS A 21 -9.122 4.580 14.896 1.00 2.66 C ATOM 305 NZ LYS A 21 -9.088 5.793 15.761 1.00 3.31 N ATOM 0 H LYS A 21 -7.122 -1.050 13.388 1.00 0.61 H new ATOM 0 HA LYS A 21 -8.771 -1.249 14.836 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -9.151 0.537 16.202 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -7.675 1.051 15.409 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -9.143 2.347 13.783 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -10.490 1.990 14.846 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -9.690 3.349 16.558 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -8.016 3.168 16.073 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -8.298 4.622 14.184 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -10.045 4.577 14.316 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -9.155 6.645 15.168 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -9.889 5.769 16.424 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -8.196 5.813 16.296 1.00 3.31 H new ATOM 319 N THR A 22 -11.095 -1.231 14.123 1.00 0.84 N ATOM 320 CA THR A 22 -12.475 -1.285 13.678 1.00 0.87 C ATOM 321 C THR A 22 -13.119 0.066 13.944 1.00 0.79 C ATOM 322 O THR A 22 -14.168 0.411 13.398 1.00 0.79 O ATOM 323 CB THR A 22 -13.253 -2.406 14.403 1.00 1.02 C ATOM 324 OG1 THR A 22 -12.510 -3.633 14.334 1.00 1.21 O ATOM 325 CG2 THR A 22 -14.627 -2.616 13.781 1.00 1.18 C ATOM 0 H THR A 22 -10.868 -1.883 14.874 1.00 0.84 H new ATOM 0 HA THR A 22 -12.502 -1.510 12.612 1.00 0.87 H new ATOM 0 HB THR A 22 -13.386 -2.106 15.443 1.00 1.02 H new ATOM 0 HG1 THR A 22 -13.005 -4.342 14.796 1.00 1.21 H new ATOM 0 HG21 THR A 22 -15.150 -3.411 14.313 1.00 1.18 H new ATOM 0 HG22 THR A 22 -15.203 -1.693 13.851 1.00 1.18 H new ATOM 0 HG23 THR A 22 -14.513 -2.894 12.733 1.00 1.18 H new ATOM 333 N THR A 23 -12.446 0.852 14.775 1.00 0.75 N ATOM 334 CA THR A 23 -12.850 2.221 15.000 1.00 0.75 C ATOM 335 C THR A 23 -12.652 3.084 13.737 1.00 0.67 C ATOM 336 O THR A 23 -13.311 4.108 13.595 1.00 0.66 O ATOM 337 CB THR A 23 -12.106 2.818 16.200 1.00 0.82 C ATOM 338 OG1 THR A 23 -12.445 2.103 17.394 1.00 1.25 O ATOM 339 CG2 THR A 23 -12.394 4.299 16.385 1.00 1.17 C ATOM 0 H THR A 23 -11.621 0.560 15.300 1.00 0.75 H new ATOM 0 HA THR A 23 -13.916 2.219 15.229 1.00 0.75 H new ATOM 0 HB THR A 23 -11.040 2.718 15.998 1.00 0.82 H new ATOM 0 HG1 THR A 23 -11.964 2.490 18.155 1.00 1.25 H new ATOM 0 HG21 THR A 23 -11.843 4.672 17.248 1.00 1.17 H new ATOM 0 HG22 THR A 23 -12.084 4.844 15.493 1.00 1.17 H new ATOM 0 HG23 THR A 23 -13.462 4.445 16.546 1.00 1.17 H new ATOM 347 N LEU A 24 -11.784 2.675 12.786 1.00 0.65 N ATOM 348 CA LEU A 24 -11.666 3.417 11.538 1.00 0.63 C ATOM 349 C LEU A 24 -12.939 3.230 10.749 1.00 0.64 C ATOM 350 O LEU A 24 -13.381 4.120 10.040 1.00 0.65 O ATOM 351 CB LEU A 24 -10.482 2.922 10.737 1.00 0.67 C ATOM 352 CG LEU A 24 -9.837 3.944 9.790 1.00 0.84 C ATOM 353 CD1 LEU A 24 -8.400 3.551 9.481 1.00 1.49 C ATOM 354 CD2 LEU A 24 -10.629 4.064 8.494 1.00 1.30 C ATOM 0 H LEU A 24 -11.177 1.859 12.865 1.00 0.65 H new ATOM 0 HA LEU A 24 -11.510 4.474 11.753 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -9.720 2.569 11.432 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -10.800 2.061 10.149 1.00 0.67 H new ATOM 0 HG LEU A 24 -9.842 4.912 10.291 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -7.958 4.286 8.809 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -7.826 3.515 10.407 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -8.385 2.570 9.006 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -10.150 4.794 7.841 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -10.659 3.096 7.995 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -11.645 4.388 8.717 1.00 1.30 H new ATOM 366 N LEU A 25 -13.535 2.067 10.911 1.00 0.68 N ATOM 367 CA LEU A 25 -14.799 1.764 10.275 1.00 0.75 C ATOM 368 C LEU A 25 -15.905 2.614 10.880 1.00 0.74 C ATOM 369 O LEU A 25 -16.882 2.948 10.217 1.00 0.82 O ATOM 370 CB LEU A 25 -15.144 0.295 10.466 1.00 0.85 C ATOM 371 CG LEU A 25 -15.753 -0.372 9.249 1.00 0.92 C ATOM 372 CD1 LEU A 25 -14.669 -0.625 8.214 1.00 1.63 C ATOM 373 CD2 LEU A 25 -16.455 -1.654 9.652 1.00 1.69 C ATOM 0 H LEU A 25 -13.160 1.310 11.483 1.00 0.68 H new ATOM 0 HA LEU A 25 -14.710 1.982 9.211 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -14.239 -0.244 10.745 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -15.839 0.204 11.300 1.00 0.85 H new ATOM 0 HG LEU A 25 -16.501 0.284 8.804 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -15.107 -1.105 7.339 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -14.218 0.323 7.921 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -13.904 -1.275 8.639 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -16.889 -2.124 8.769 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -15.736 -2.334 10.109 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -17.245 -1.427 10.367 1.00 1.69 H new ATOM 385 N ASP A 26 -15.737 2.972 12.143 1.00 0.71 N ATOM 386 CA ASP A 26 -16.719 3.789 12.837 1.00 0.75 C ATOM 387 C ASP A 26 -16.491 5.232 12.472 1.00 0.70 C ATOM 388 O ASP A 26 -17.422 6.014 12.266 1.00 0.76 O ATOM 389 CB ASP A 26 -16.590 3.621 14.335 1.00 0.81 C ATOM 390 CG ASP A 26 -17.748 4.242 15.084 1.00 1.01 C ATOM 391 OD1 ASP A 26 -18.827 3.614 15.164 1.00 1.13 O ATOM 392 OD2 ASP A 26 -17.587 5.366 15.600 1.00 1.23 O ATOM 0 H ASP A 26 -14.930 2.710 12.708 1.00 0.71 H new ATOM 0 HA ASP A 26 -17.720 3.476 12.540 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -16.532 2.559 14.576 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -15.658 4.075 14.670 1.00 0.81 H new ATOM 397 N ALA A 27 -15.223 5.553 12.372 1.00 0.63 N ATOM 398 CA ALA A 27 -14.779 6.873 11.988 1.00 0.61 C ATOM 399 C ALA A 27 -15.149 7.146 10.539 1.00 0.58 C ATOM 400 O ALA A 27 -15.486 8.269 10.162 1.00 0.62 O ATOM 401 CB ALA A 27 -13.280 6.948 12.185 1.00 0.61 C ATOM 0 H ALA A 27 -14.462 4.899 12.557 1.00 0.63 H new ATOM 0 HA ALA A 27 -15.265 7.630 12.604 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -12.925 7.938 11.900 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -13.041 6.764 13.232 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -12.793 6.196 11.564 1.00 0.61 H new ATOM 407 N ILE A 28 -15.102 6.094 9.744 1.00 0.56 N ATOM 408 CA ILE A 28 -15.381 6.175 8.326 1.00 0.57 C ATOM 409 C ILE A 28 -16.889 6.241 8.084 1.00 0.64 C ATOM 410 O ILE A 28 -17.337 6.662 7.019 1.00 0.71 O ATOM 411 CB ILE A 28 -14.750 4.965 7.594 1.00 0.61 C ATOM 412 CG1 ILE A 28 -14.274 5.344 6.200 1.00 0.84 C ATOM 413 CG2 ILE A 28 -15.715 3.794 7.513 1.00 1.02 C ATOM 414 CD1 ILE A 28 -13.363 4.290 5.610 1.00 0.85 C ATOM 0 H ILE A 28 -14.868 5.155 10.067 1.00 0.56 H new ATOM 0 HA ILE A 28 -14.938 7.087 7.926 1.00 0.57 H new ATOM 0 HB ILE A 28 -13.886 4.657 8.183 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -15.136 5.485 5.548 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -13.747 6.297 6.243 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -15.237 2.964 6.993 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -15.992 3.480 8.520 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -16.609 4.097 6.968 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -13.046 4.599 4.614 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -12.488 4.167 6.248 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -13.898 3.343 5.542 1.00 0.85 H new ATOM 1221 N ILE A 81 -9.337 -3.919 -6.543 1.00 0.63 N ATOM 1222 CA ILE A 81 -8.558 -2.988 -5.734 1.00 0.42 C ATOM 1223 C ILE A 81 -8.594 -3.401 -4.262 1.00 0.38 C ATOM 1224 O ILE A 81 -9.663 -3.708 -3.722 1.00 0.57 O ATOM 1225 CB ILE A 81 -9.091 -1.536 -5.842 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -9.096 -1.050 -7.297 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -8.256 -0.605 -4.979 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -9.702 0.325 -7.483 1.00 0.71 C ATOM 0 HA ILE A 81 -7.538 -3.020 -6.117 1.00 0.42 H new ATOM 0 HB ILE A 81 -10.120 -1.528 -5.483 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -8.072 -1.038 -7.669 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -9.648 -1.765 -7.907 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -8.640 0.412 -5.063 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -8.309 -0.928 -3.939 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -7.219 -0.630 -5.315 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -9.669 0.598 -8.538 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.738 0.315 -7.143 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -9.136 1.054 -6.902 1.00 0.71 H new ATOM 1240 N VAL A 82 -7.432 -3.426 -3.623 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.358 -3.662 -2.187 1.00 0.28 C ATOM 1242 C VAL A 82 -6.650 -2.521 -1.485 1.00 0.23 C ATOM 1243 O VAL A 82 -5.547 -2.130 -1.860 1.00 0.26 O ATOM 1244 CB VAL A 82 -6.656 -4.992 -1.833 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -6.228 -5.024 -0.363 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -7.591 -6.148 -2.127 1.00 1.17 C ATOM 0 H VAL A 82 -6.529 -3.286 -4.075 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.389 -3.726 -1.840 1.00 0.28 H new ATOM 0 HB VAL A 82 -5.757 -5.080 -2.443 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -5.737 -5.973 -0.147 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -5.536 -4.205 -0.168 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -7.106 -4.916 0.274 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -7.098 -7.087 -1.878 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -8.497 -6.044 -1.530 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -7.852 -6.145 -3.185 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.305 -1.987 -0.479 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.709 -0.978 0.364 1.00 0.19 C ATOM 1258 C ILE A 83 -5.930 -1.628 1.477 1.00 0.19 C ATOM 1259 O ILE A 83 -6.412 -2.532 2.146 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.757 -0.025 0.959 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.335 0.810 -0.163 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -7.144 0.865 2.043 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -9.268 1.908 0.301 1.00 0.37 C ATOM 0 H ILE A 83 -8.260 -2.239 -0.224 1.00 0.22 H new ATOM 0 HA ILE A 83 -6.041 -0.388 -0.263 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.549 -0.604 1.434 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.517 1.258 -0.727 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -8.874 0.156 -0.848 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -7.910 1.528 2.445 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.747 0.242 2.844 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.338 1.460 1.613 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.639 2.460 -0.563 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -10.108 1.469 0.839 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -8.730 2.588 0.962 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.726 -1.158 1.664 1.00 0.19 N ATOM 1276 CA LEU A 84 -3.870 -1.683 2.688 1.00 0.23 C ATOM 1277 C LEU A 84 -3.491 -0.541 3.626 1.00 0.24 C ATOM 1278 O LEU A 84 -2.789 0.389 3.238 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.655 -2.365 2.030 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.551 -2.875 2.960 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -0.631 -1.736 3.326 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -2.130 -3.527 4.213 1.00 1.01 C ATOM 0 H LEU A 84 -4.315 -0.405 1.113 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.370 -2.446 3.285 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -3.018 -3.208 1.442 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -2.208 -1.658 1.331 1.00 0.39 H new ATOM 0 HG LEU A 84 -0.982 -3.640 2.432 1.00 0.31 H new ATOM 0 HD11 LEU A 84 0.154 -2.101 3.988 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -0.182 -1.326 2.421 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -1.200 -0.957 3.833 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -1.317 -3.877 4.850 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -2.730 -2.798 4.758 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -2.757 -4.372 3.927 1.00 1.01 H new ATOM 1294 N VAL A 85 -4.007 -0.590 4.842 1.00 0.21 N ATOM 1295 CA VAL A 85 -3.787 0.455 5.814 1.00 0.27 C ATOM 1296 C VAL A 85 -2.638 0.093 6.747 1.00 0.25 C ATOM 1297 O VAL A 85 -2.715 -0.879 7.501 1.00 0.29 O ATOM 1298 CB VAL A 85 -5.064 0.695 6.641 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -4.883 1.881 7.557 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.266 0.900 5.731 1.00 0.40 C ATOM 0 H VAL A 85 -4.589 -1.357 5.179 1.00 0.21 H new ATOM 0 HA VAL A 85 -3.530 1.367 5.275 1.00 0.27 H new ATOM 0 HB VAL A 85 -5.248 -0.189 7.252 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -5.794 2.037 8.134 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -4.051 1.693 8.236 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -4.673 2.771 6.963 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -7.157 1.068 6.337 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -6.094 1.765 5.091 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.409 0.014 5.113 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.566 0.866 6.664 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.414 0.680 7.520 1.00 0.20 C ATOM 1312 C VAL A 86 -0.151 1.917 8.356 1.00 0.17 C ATOM 1313 O VAL A 86 -0.312 3.041 7.889 1.00 0.22 O ATOM 1314 CB VAL A 86 0.851 0.361 6.710 1.00 0.23 C ATOM 1315 CG1 VAL A 86 0.836 -1.080 6.257 1.00 0.49 C ATOM 1316 CG2 VAL A 86 0.987 1.299 5.517 1.00 0.64 C ATOM 0 H VAL A 86 -1.474 1.637 6.002 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.645 -0.164 8.170 1.00 0.20 H new ATOM 0 HB VAL A 86 1.716 0.513 7.355 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.739 -1.291 5.684 1.00 0.49 H new ATOM 0 HG12 VAL A 86 0.797 -1.735 7.128 1.00 0.49 H new ATOM 0 HG13 VAL A 86 -0.039 -1.256 5.632 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.891 1.051 4.961 1.00 0.64 H new ATOM 0 HG22 VAL A 86 0.119 1.189 4.867 1.00 0.64 H new ATOM 0 HG23 VAL A 86 1.048 2.329 5.869 1.00 0.64 H new ATOM 1326 N ALA A 87 0.253 1.710 9.590 1.00 0.17 N ATOM 1327 CA ALA A 87 0.612 2.812 10.457 1.00 0.18 C ATOM 1328 C ALA A 87 2.020 3.270 10.147 1.00 0.16 C ATOM 1329 O ALA A 87 2.930 2.453 10.086 1.00 0.24 O ATOM 1330 CB ALA A 87 0.513 2.394 11.914 1.00 0.28 C ATOM 0 H ALA A 87 0.341 0.788 10.017 1.00 0.17 H new ATOM 0 HA ALA A 87 -0.081 3.635 10.283 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.786 3.234 12.553 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -0.509 2.087 12.136 1.00 0.28 H new ATOM 0 HB3 ALA A 87 1.191 1.561 12.100 1.00 0.28 H new ATOM 1336 N ALA A 88 2.219 4.569 9.972 1.00 0.12 N ATOM 1337 CA ALA A 88 3.549 5.068 9.660 1.00 0.14 C ATOM 1338 C ALA A 88 4.410 5.041 10.896 1.00 0.16 C ATOM 1339 O ALA A 88 5.628 5.190 10.829 1.00 0.22 O ATOM 1340 CB ALA A 88 3.488 6.479 9.106 1.00 0.17 C ATOM 0 H ALA A 88 1.493 5.282 10.039 1.00 0.12 H new ATOM 0 HA ALA A 88 3.985 4.421 8.899 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.497 6.826 8.882 1.00 0.17 H new ATOM 0 HB2 ALA A 88 2.891 6.486 8.194 1.00 0.17 H new ATOM 0 HB3 ALA A 88 3.033 7.140 9.843 1.00 0.17 H new ATOM 1346 N ASP A 89 3.763 4.848 12.024 1.00 0.16 N ATOM 1347 CA ASP A 89 4.461 4.849 13.296 1.00 0.21 C ATOM 1348 C ASP A 89 4.923 3.440 13.685 1.00 0.22 C ATOM 1349 O ASP A 89 5.718 3.277 14.612 1.00 0.37 O ATOM 1350 CB ASP A 89 3.565 5.460 14.377 1.00 0.30 C ATOM 1351 CG ASP A 89 3.137 4.483 15.464 1.00 0.39 C ATOM 1352 OD1 ASP A 89 2.405 3.526 15.146 1.00 0.47 O ATOM 1353 OD2 ASP A 89 3.552 4.652 16.628 1.00 0.58 O ATOM 0 H ASP A 89 2.758 4.689 12.089 1.00 0.16 H new ATOM 0 HA ASP A 89 5.358 5.460 13.199 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.093 6.293 14.841 1.00 0.30 H new ATOM 0 HB3 ASP A 89 2.674 5.871 13.903 1.00 0.30 H new ATOM 1358 N ASP A 90 4.451 2.434 12.952 1.00 0.19 N ATOM 1359 CA ASP A 90 4.704 1.039 13.315 1.00 0.23 C ATOM 1360 C ASP A 90 5.120 0.210 12.092 1.00 0.25 C ATOM 1361 O ASP A 90 5.984 -0.663 12.187 1.00 0.42 O ATOM 1362 CB ASP A 90 3.459 0.455 13.972 1.00 0.26 C ATOM 1363 CG ASP A 90 3.777 -0.664 14.941 1.00 0.36 C ATOM 1364 OD1 ASP A 90 4.701 -0.503 15.761 1.00 0.56 O ATOM 1365 OD2 ASP A 90 3.126 -1.728 14.855 1.00 0.46 O ATOM 0 H ASP A 90 3.894 2.556 12.107 1.00 0.19 H new ATOM 0 HA ASP A 90 5.533 1.005 14.022 1.00 0.23 H new ATOM 0 HB2 ASP A 90 2.927 1.247 14.500 1.00 0.26 H new ATOM 0 HB3 ASP A 90 2.788 0.080 13.199 1.00 0.26 H new ATOM 1370 N GLY A 91 4.500 0.486 10.945 1.00 0.20 N ATOM 1371 CA GLY A 91 4.943 -0.094 9.683 1.00 0.21 C ATOM 1372 C GLY A 91 4.268 -1.405 9.332 1.00 0.22 C ATOM 1373 O GLY A 91 3.048 -1.520 9.398 1.00 0.37 O ATOM 0 H GLY A 91 3.693 1.105 10.866 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.759 0.622 8.882 1.00 0.21 H new ATOM 0 HA3 GLY A 91 6.020 -0.253 9.727 1.00 0.21 H new ATOM 1377 N VAL A 92 5.065 -2.382 8.928 1.00 0.26 N ATOM 1378 CA VAL A 92 4.551 -3.686 8.526 1.00 0.26 C ATOM 1379 C VAL A 92 4.715 -4.689 9.645 1.00 0.24 C ATOM 1380 O VAL A 92 5.780 -4.819 10.253 1.00 0.28 O ATOM 1381 CB VAL A 92 5.259 -4.197 7.257 1.00 0.32 C ATOM 1382 CG1 VAL A 92 5.090 -5.702 7.087 1.00 0.96 C ATOM 1383 CG2 VAL A 92 4.714 -3.477 6.044 1.00 1.03 C ATOM 0 H VAL A 92 6.080 -2.297 8.869 1.00 0.26 H new ATOM 0 HA VAL A 92 3.490 -3.570 8.305 1.00 0.26 H new ATOM 0 HB VAL A 92 6.324 -3.991 7.360 1.00 0.32 H new ATOM 0 HG11 VAL A 92 5.603 -6.026 6.181 1.00 0.96 H new ATOM 0 HG12 VAL A 92 5.516 -6.216 7.949 1.00 0.96 H new ATOM 0 HG13 VAL A 92 4.030 -5.943 7.009 1.00 0.96 H new ATOM 0 HG21 VAL A 92 5.217 -3.841 5.148 1.00 1.03 H new ATOM 0 HG22 VAL A 92 3.643 -3.664 5.960 1.00 1.03 H new ATOM 0 HG23 VAL A 92 4.888 -2.406 6.148 1.00 1.03 H new ATOM 1393 N MET A 93 3.635 -5.380 9.903 1.00 0.22 N ATOM 1394 CA MET A 93 3.547 -6.339 10.976 1.00 0.22 C ATOM 1395 C MET A 93 2.958 -7.630 10.411 1.00 0.22 C ATOM 1396 O MET A 93 2.560 -7.653 9.244 1.00 0.23 O ATOM 1397 CB MET A 93 2.660 -5.747 12.067 1.00 0.21 C ATOM 1398 CG MET A 93 3.104 -4.353 12.485 1.00 0.23 C ATOM 1399 SD MET A 93 4.574 -4.384 13.511 1.00 0.28 S ATOM 1400 CE MET A 93 3.807 -4.859 15.050 1.00 0.27 C ATOM 0 H MET A 93 2.774 -5.291 9.363 1.00 0.22 H new ATOM 0 HA MET A 93 4.523 -6.563 11.406 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.630 -5.706 11.711 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.671 -6.404 12.936 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.298 -3.754 11.595 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.295 -3.864 13.028 1.00 0.23 H new ATOM 0 HE1 MET A 93 3.939 -4.063 15.783 1.00 0.27 H new ATOM 0 HE2 MET A 93 2.743 -5.030 14.889 1.00 0.27 H new ATOM 0 HE3 MET A 93 4.270 -5.774 15.420 1.00 0.27 H new ATOM 1410 N PRO A 94 2.900 -8.715 11.197 1.00 0.25 N ATOM 1411 CA PRO A 94 2.385 -10.004 10.719 1.00 0.30 C ATOM 1412 C PRO A 94 1.030 -9.891 10.016 1.00 0.28 C ATOM 1413 O PRO A 94 0.904 -10.265 8.848 1.00 0.31 O ATOM 1414 CB PRO A 94 2.257 -10.831 11.997 1.00 0.37 C ATOM 1415 CG PRO A 94 3.260 -10.252 12.932 1.00 0.58 C ATOM 1416 CD PRO A 94 3.349 -8.787 12.604 1.00 0.30 C ATOM 0 HA PRO A 94 3.044 -10.442 9.969 1.00 0.30 H new ATOM 0 HB2 PRO A 94 1.250 -10.767 12.409 1.00 0.37 H new ATOM 0 HB3 PRO A 94 2.457 -11.885 11.807 1.00 0.37 H new ATOM 0 HG2 PRO A 94 2.956 -10.400 13.968 1.00 0.58 H new ATOM 0 HG3 PRO A 94 4.229 -10.737 12.811 1.00 0.58 H new ATOM 0 HD2 PRO A 94 2.713 -8.191 13.258 1.00 0.30 H new ATOM 0 HD3 PRO A 94 4.366 -8.412 12.720 1.00 0.30 H new ATOM 1424 N GLN A 95 0.028 -9.348 10.705 1.00 0.29 N ATOM 1425 CA GLN A 95 -1.309 -9.288 10.151 1.00 0.32 C ATOM 1426 C GLN A 95 -1.404 -8.248 9.031 1.00 0.31 C ATOM 1427 O GLN A 95 -2.352 -8.250 8.244 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.337 -9.039 11.263 1.00 0.37 C ATOM 1429 CG GLN A 95 -3.197 -7.808 11.071 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.529 -7.910 11.795 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -5.516 -8.381 11.227 1.00 0.75 O ATOM 1432 NE2 GLN A 95 -4.576 -7.486 13.050 1.00 0.34 N ATOM 0 H GLN A 95 0.122 -8.949 11.639 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.539 -10.252 9.698 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -2.987 -9.911 11.339 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -1.809 -8.951 12.213 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -2.657 -6.932 11.431 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -3.376 -7.656 10.007 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -3.740 -7.101 13.490 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -5.448 -7.544 13.576 1.00 0.34 H new ATOM 1441 N THR A 96 -0.396 -7.389 8.933 1.00 0.26 N ATOM 1442 CA THR A 96 -0.350 -6.402 7.875 1.00 0.25 C ATOM 1443 C THR A 96 -0.101 -7.089 6.548 1.00 0.25 C ATOM 1444 O THR A 96 -0.844 -6.916 5.583 1.00 0.31 O ATOM 1445 CB THR A 96 0.766 -5.383 8.097 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.994 -5.217 9.494 1.00 0.24 O ATOM 1447 CG2 THR A 96 0.392 -4.049 7.484 1.00 0.28 C ATOM 0 H THR A 96 0.396 -7.360 9.575 1.00 0.26 H new ATOM 0 HA THR A 96 -1.308 -5.882 7.875 1.00 0.25 H new ATOM 0 HB THR A 96 1.674 -5.750 7.619 1.00 0.25 H new ATOM 0 HG1 THR A 96 1.249 -4.288 9.676 1.00 0.24 H new ATOM 0 HG21 THR A 96 1.197 -3.333 7.651 1.00 0.28 H new ATOM 0 HG22 THR A 96 0.232 -4.173 6.413 1.00 0.28 H new ATOM 0 HG23 THR A 96 -0.523 -3.680 7.947 1.00 0.28 H new ATOM 1455 N VAL A 97 0.950 -7.891 6.517 1.00 0.25 N ATOM 1456 CA VAL A 97 1.386 -8.488 5.293 1.00 0.31 C ATOM 1457 C VAL A 97 0.623 -9.761 4.922 1.00 0.23 C ATOM 1458 O VAL A 97 0.553 -10.103 3.751 1.00 0.24 O ATOM 1459 CB VAL A 97 2.905 -8.727 5.305 1.00 0.48 C ATOM 1460 CG1 VAL A 97 3.380 -9.344 6.602 1.00 1.02 C ATOM 1461 CG2 VAL A 97 3.304 -9.600 4.144 1.00 1.38 C ATOM 0 H VAL A 97 1.510 -8.136 7.334 1.00 0.25 H new ATOM 0 HA VAL A 97 1.153 -7.768 4.508 1.00 0.31 H new ATOM 0 HB VAL A 97 3.384 -7.752 5.213 1.00 0.48 H new ATOM 0 HG11 VAL A 97 4.459 -9.493 6.560 1.00 1.02 H new ATOM 0 HG12 VAL A 97 3.137 -8.680 7.431 1.00 1.02 H new ATOM 0 HG13 VAL A 97 2.887 -10.305 6.750 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.382 -9.762 4.164 1.00 1.38 H new ATOM 0 HG22 VAL A 97 2.792 -10.559 4.217 1.00 1.38 H new ATOM 0 HG23 VAL A 97 3.028 -9.112 3.210 1.00 1.38 H new ATOM 1471 N GLU A 98 0.023 -10.455 5.873 1.00 0.24 N ATOM 1472 CA GLU A 98 -0.790 -11.621 5.505 1.00 0.29 C ATOM 1473 C GLU A 98 -1.981 -11.165 4.664 1.00 0.31 C ATOM 1474 O GLU A 98 -2.517 -11.921 3.854 1.00 0.37 O ATOM 1475 CB GLU A 98 -1.250 -12.395 6.744 1.00 0.39 C ATOM 1476 CG GLU A 98 -2.068 -11.575 7.728 1.00 0.92 C ATOM 1477 CD GLU A 98 -2.482 -12.376 8.943 1.00 1.64 C ATOM 1478 OE1 GLU A 98 -1.720 -12.396 9.935 1.00 2.35 O ATOM 1479 OE2 GLU A 98 -3.567 -12.992 8.917 1.00 1.97 O ATOM 0 H GLU A 98 0.073 -10.250 6.871 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.179 -12.303 4.914 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -1.842 -13.252 6.423 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -0.373 -12.788 7.258 1.00 0.39 H new ATOM 0 HG2 GLU A 98 -1.487 -10.710 8.047 1.00 0.92 H new ATOM 0 HG3 GLU A 98 -2.958 -11.194 7.227 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.364 -9.907 4.852 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.359 -9.262 4.008 1.00 0.35 C ATOM 1488 C ALA A 99 -2.753 -8.916 2.645 1.00 0.34 C ATOM 1489 O ALA A 99 -3.387 -9.093 1.606 1.00 0.44 O ATOM 1490 CB ALA A 99 -3.893 -8.014 4.692 1.00 0.39 C ATOM 0 H ALA A 99 -1.994 -9.309 5.591 1.00 0.31 H new ATOM 0 HA ALA A 99 -4.189 -9.950 3.849 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.637 -7.539 4.053 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -4.353 -8.288 5.642 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -3.073 -7.319 4.873 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.504 -8.457 2.664 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.772 -8.145 1.448 1.00 0.29 C ATOM 1498 C ILE A 100 -0.588 -9.407 0.621 1.00 0.29 C ATOM 1499 O ILE A 100 -0.861 -9.437 -0.578 1.00 0.34 O ATOM 1500 CB ILE A 100 0.616 -7.580 1.803 1.00 0.32 C ATOM 1501 CG1 ILE A 100 0.485 -6.202 2.462 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.490 -7.525 0.565 1.00 0.36 C ATOM 1503 CD1 ILE A 100 1.772 -5.689 3.071 1.00 0.41 C ATOM 0 H ILE A 100 -0.976 -8.293 3.521 1.00 0.28 H new ATOM 0 HA ILE A 100 -1.337 -7.407 0.878 1.00 0.29 H new ATOM 0 HB ILE A 100 1.095 -8.243 2.523 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.136 -5.486 1.718 1.00 0.35 H new ATOM 0 HG13 ILE A 100 -0.278 -6.253 3.239 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.469 -7.124 0.828 1.00 0.36 H new ATOM 0 HG22 ILE A 100 1.607 -8.529 0.157 1.00 0.36 H new ATOM 0 HG23 ILE A 100 1.023 -6.882 -0.182 1.00 0.36 H new ATOM 0 HD11 ILE A 100 1.598 -4.710 3.517 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.113 -6.383 3.840 1.00 0.41 H new ATOM 0 HD13 ILE A 100 2.533 -5.604 2.295 1.00 0.41 H new ATOM 1515 N ASN A 101 -0.126 -10.443 1.298 1.00 0.29 N ATOM 1516 CA ASN A 101 0.088 -11.753 0.710 1.00 0.34 C ATOM 1517 C ASN A 101 -1.183 -12.267 0.062 1.00 0.36 C ATOM 1518 O ASN A 101 -1.137 -12.946 -0.962 1.00 0.43 O ATOM 1519 CB ASN A 101 0.577 -12.720 1.796 1.00 0.44 C ATOM 1520 CG ASN A 101 2.064 -12.619 2.028 1.00 0.53 C ATOM 1521 OD1 ASN A 101 2.819 -12.199 1.150 1.00 0.67 O ATOM 1522 ND2 ASN A 101 2.505 -13.036 3.198 1.00 0.64 N ATOM 0 H ASN A 101 0.115 -10.397 2.288 1.00 0.29 H new ATOM 0 HA ASN A 101 0.846 -11.677 -0.069 1.00 0.34 H new ATOM 0 HB2 ASN A 101 0.052 -12.511 2.728 1.00 0.44 H new ATOM 0 HB3 ASN A 101 0.325 -13.741 1.510 1.00 0.44 H new ATOM 0 HD21 ASN A 101 3.504 -13.018 3.402 1.00 0.64 H new ATOM 0 HD22 ASN A 101 1.847 -13.377 3.899 1.00 0.64 H new ATOM 1529 N HIS A 102 -2.313 -11.910 0.652 1.00 0.35 N ATOM 1530 CA HIS A 102 -3.614 -12.266 0.117 1.00 0.43 C ATOM 1531 C HIS A 102 -3.863 -11.540 -1.200 1.00 0.37 C ATOM 1532 O HIS A 102 -4.332 -12.130 -2.175 1.00 0.41 O ATOM 1533 CB HIS A 102 -4.699 -11.910 1.138 1.00 0.61 C ATOM 1534 CG HIS A 102 -5.965 -12.660 0.919 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -6.629 -13.324 1.920 1.00 2.07 N ATOM 1536 CD2 HIS A 102 -6.665 -12.877 -0.206 1.00 1.10 C ATOM 1537 CE1 HIS A 102 -7.686 -13.924 1.416 1.00 2.50 C ATOM 1538 NE2 HIS A 102 -7.736 -13.671 0.118 1.00 1.91 N ATOM 0 H HIS A 102 -2.352 -11.366 1.514 1.00 0.35 H new ATOM 0 HA HIS A 102 -3.642 -13.338 -0.076 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -4.329 -12.117 2.142 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -4.902 -10.840 1.087 1.00 0.61 H new ATOM 0 HD2 HIS A 102 -6.428 -12.496 -1.188 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -8.394 -14.523 1.969 1.00 2.50 H new ATOM 0 HE2 HIS A 102 -8.448 -14.008 -0.530 1.00 1.91 H new ATOM 1547 N ALA A 103 -3.527 -10.262 -1.229 1.00 0.37 N ATOM 1548 CA ALA A 103 -3.770 -9.446 -2.403 1.00 0.41 C ATOM 1549 C ALA A 103 -2.791 -9.774 -3.527 1.00 0.40 C ATOM 1550 O ALA A 103 -3.189 -9.905 -4.683 1.00 0.44 O ATOM 1551 CB ALA A 103 -3.698 -7.968 -2.051 1.00 0.47 C ATOM 0 H ALA A 103 -3.086 -9.768 -0.453 1.00 0.37 H new ATOM 0 HA ALA A 103 -4.774 -9.674 -2.760 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -3.883 -7.372 -2.945 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -4.451 -7.736 -1.298 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -2.708 -7.735 -1.658 1.00 0.47 H new ATOM 1557 N LYS A 104 -1.505 -9.913 -3.197 1.00 0.41 N ATOM 1558 CA LYS A 104 -0.495 -10.210 -4.206 1.00 0.49 C ATOM 1559 C LYS A 104 -0.727 -11.588 -4.782 1.00 0.54 C ATOM 1560 O LYS A 104 -0.445 -11.844 -5.952 1.00 0.66 O ATOM 1561 CB LYS A 104 0.904 -10.140 -3.610 1.00 0.61 C ATOM 1562 CG LYS A 104 1.164 -8.878 -2.820 1.00 0.70 C ATOM 1563 CD LYS A 104 0.861 -7.614 -3.622 1.00 0.84 C ATOM 1564 CE LYS A 104 1.593 -7.575 -4.960 1.00 0.99 C ATOM 1565 NZ LYS A 104 3.071 -7.559 -4.806 1.00 1.66 N ATOM 0 H LYS A 104 -1.144 -9.825 -2.247 1.00 0.41 H new ATOM 0 HA LYS A 104 -0.577 -9.464 -4.997 1.00 0.49 H new ATOM 0 HB2 LYS A 104 1.057 -11.002 -2.961 1.00 0.61 H new ATOM 0 HB3 LYS A 104 1.636 -10.212 -4.414 1.00 0.61 H new ATOM 0 HG2 LYS A 104 0.554 -8.886 -1.917 1.00 0.70 H new ATOM 0 HG3 LYS A 104 2.206 -8.861 -2.501 1.00 0.70 H new ATOM 0 HD2 LYS A 104 -0.213 -7.549 -3.798 1.00 0.84 H new ATOM 0 HD3 LYS A 104 1.141 -6.740 -3.034 1.00 0.84 H new ATOM 0 HE2 LYS A 104 1.303 -8.442 -5.553 1.00 0.99 H new ATOM 0 HE3 LYS A 104 1.280 -6.690 -5.515 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 3.518 -7.737 -5.728 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 3.373 -6.630 -4.448 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 3.358 -8.299 -4.134 1.00 1.66 H new ATOM 1579 N ALA A 105 -1.230 -12.469 -3.934 1.00 0.51 N ATOM 1580 CA ALA A 105 -1.660 -13.799 -4.372 1.00 0.61 C ATOM 1581 C ALA A 105 -2.667 -13.695 -5.515 1.00 0.62 C ATOM 1582 O ALA A 105 -2.611 -14.459 -6.482 1.00 0.77 O ATOM 1583 CB ALA A 105 -2.272 -14.578 -3.217 1.00 0.65 C ATOM 0 H ALA A 105 -1.353 -12.293 -2.937 1.00 0.51 H new ATOM 0 HA ALA A 105 -0.778 -14.332 -4.727 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -2.584 -15.562 -3.567 1.00 0.65 H new ATOM 0 HB2 ALA A 105 -1.534 -14.692 -2.423 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -3.138 -14.039 -2.833 1.00 0.65 H new ATOM 1589 N ALA A 106 -3.590 -12.750 -5.396 1.00 0.54 N ATOM 1590 CA ALA A 106 -4.594 -12.524 -6.432 1.00 0.64 C ATOM 1591 C ALA A 106 -4.017 -11.728 -7.599 1.00 0.64 C ATOM 1592 O ALA A 106 -4.434 -11.910 -8.742 1.00 0.74 O ATOM 1593 CB ALA A 106 -5.805 -11.811 -5.861 1.00 0.68 C ATOM 0 H ALA A 106 -3.666 -12.126 -4.593 1.00 0.54 H new ATOM 0 HA ALA A 106 -4.906 -13.499 -6.806 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -6.540 -11.653 -6.650 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -6.246 -12.419 -5.071 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -5.500 -10.848 -5.451 1.00 0.68 H new ATOM 1599 N ASN A 107 -3.073 -10.841 -7.272 1.00 0.59 N ATOM 1600 CA ASN A 107 -2.335 -10.031 -8.247 1.00 0.65 C ATOM 1601 C ASN A 107 -3.150 -8.797 -8.584 1.00 0.60 C ATOM 1602 O ASN A 107 -3.343 -8.432 -9.745 1.00 0.85 O ATOM 1603 CB ASN A 107 -1.963 -10.812 -9.504 1.00 0.85 C ATOM 1604 CG ASN A 107 -1.002 -10.071 -10.399 1.00 1.04 C ATOM 1605 OD1 ASN A 107 -0.198 -9.255 -9.941 1.00 1.17 O ATOM 1606 ND2 ASN A 107 -1.058 -10.368 -11.680 1.00 1.41 N ATOM 0 H ASN A 107 -2.795 -10.662 -6.307 1.00 0.59 H new ATOM 0 HA ASN A 107 -1.389 -9.734 -7.794 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -1.519 -11.765 -9.214 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -2.870 -11.040 -10.064 1.00 0.85 H new ATOM 0 HD21 ASN A 107 -0.421 -9.917 -12.336 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -1.739 -11.049 -12.016 1.00 1.41 H new ATOM 1613 N VAL A 108 -3.641 -8.178 -7.531 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.470 -7.001 -7.634 1.00 0.42 C ATOM 1615 C VAL A 108 -3.681 -5.760 -7.217 1.00 0.37 C ATOM 1616 O VAL A 108 -2.877 -5.816 -6.282 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.730 -7.155 -6.748 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -5.430 -7.964 -5.497 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.263 -5.802 -6.354 1.00 1.35 C ATOM 0 H VAL A 108 -3.473 -8.482 -6.572 1.00 0.44 H new ATOM 0 HA VAL A 108 -4.783 -6.884 -8.672 1.00 0.42 H new ATOM 0 HB VAL A 108 -6.481 -7.686 -7.333 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -6.335 -8.054 -4.896 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -5.083 -8.957 -5.781 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -4.657 -7.462 -4.916 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -7.149 -5.927 -5.731 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -5.501 -5.259 -5.795 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -6.526 -5.239 -7.250 1.00 1.35 H new ATOM 1629 N PRO A 109 -3.878 -4.634 -7.925 1.00 0.35 N ATOM 1630 CA PRO A 109 -3.279 -3.354 -7.553 1.00 0.33 C ATOM 1631 C PRO A 109 -3.757 -2.877 -6.190 1.00 0.28 C ATOM 1632 O PRO A 109 -4.927 -3.045 -5.835 1.00 0.29 O ATOM 1633 CB PRO A 109 -3.748 -2.389 -8.641 1.00 0.37 C ATOM 1634 CG PRO A 109 -4.173 -3.258 -9.775 1.00 0.47 C ATOM 1635 CD PRO A 109 -4.684 -4.523 -9.153 1.00 0.40 C ATOM 0 HA PRO A 109 -2.194 -3.427 -7.479 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -4.573 -1.769 -8.289 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -2.947 -1.714 -8.941 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -4.948 -2.774 -10.369 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -3.338 -3.462 -10.445 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -5.750 -4.463 -8.933 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -4.542 -5.382 -9.809 1.00 0.40 H new ATOM 1643 N ILE A 110 -2.869 -2.267 -5.430 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.185 -1.915 -4.066 1.00 0.21 C ATOM 1645 C ILE A 110 -3.429 -0.414 -3.938 1.00 0.19 C ATOM 1646 O ILE A 110 -2.993 0.388 -4.768 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.049 -2.375 -3.112 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -1.931 -3.909 -3.106 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.239 -1.857 -1.698 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -3.070 -4.610 -2.396 1.00 0.60 C ATOM 0 H ILE A 110 -1.930 -2.008 -5.734 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.102 -2.430 -3.780 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.122 -1.948 -3.494 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -1.885 -4.264 -4.136 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -0.992 -4.189 -2.630 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.419 -2.206 -1.070 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.250 -0.767 -1.708 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.184 -2.226 -1.299 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -2.914 -5.688 -2.435 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -3.105 -4.286 -1.356 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -4.012 -4.361 -2.885 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.162 -0.066 -2.905 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.376 1.306 -2.495 1.00 0.18 C ATOM 1664 C ILE A 111 -3.959 1.407 -1.045 1.00 0.16 C ATOM 1665 O ILE A 111 -4.755 1.197 -0.132 1.00 0.18 O ATOM 1666 CB ILE A 111 -5.854 1.759 -2.652 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.208 1.917 -4.127 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.104 3.076 -1.912 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -5.592 3.144 -4.756 1.00 0.37 C ATOM 0 H ILE A 111 -4.638 -0.745 -2.311 1.00 0.18 H new ATOM 0 HA ILE A 111 -3.788 1.963 -3.136 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.490 0.990 -2.214 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -5.877 1.032 -4.671 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.292 1.968 -4.231 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.146 3.372 -2.037 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -5.889 2.944 -0.852 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.455 3.851 -2.320 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -5.882 3.199 -5.805 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -5.943 4.035 -4.235 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.506 3.085 -4.682 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.687 1.637 -0.833 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.187 1.751 0.501 1.00 0.18 C ATOM 1683 C VAL A 112 -2.578 3.075 1.082 1.00 0.20 C ATOM 1684 O VAL A 112 -2.653 4.088 0.391 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.669 1.612 0.580 1.00 0.19 C ATOM 1686 CG1 VAL A 112 -0.200 1.714 2.001 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.234 0.297 -0.003 1.00 0.19 C ATOM 0 H VAL A 112 -1.988 1.747 -1.567 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.628 0.931 1.068 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.224 2.424 0.004 1.00 0.19 H new ATOM 0 HG11 VAL A 112 0.885 1.612 2.034 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.486 2.683 2.410 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.657 0.921 2.593 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.851 0.212 0.060 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.695 -0.518 0.554 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.542 0.242 -1.047 1.00 0.19 H new ATOM 1697 N ALA A 113 -2.819 3.043 2.348 1.00 0.21 N ATOM 1698 CA ALA A 113 -3.194 4.218 3.071 1.00 0.24 C ATOM 1699 C ALA A 113 -2.593 4.184 4.456 1.00 0.25 C ATOM 1700 O ALA A 113 -3.047 3.464 5.340 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.700 4.354 3.096 1.00 0.29 C ATOM 0 H ALA A 113 -2.762 2.198 2.917 1.00 0.21 H new ATOM 0 HA ALA A 113 -2.801 5.102 2.569 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -4.975 5.252 3.649 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -5.076 4.427 2.075 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -5.136 3.481 3.582 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.534 4.947 4.601 1.00 0.24 N ATOM 1708 CA ILE A 114 -0.808 5.053 5.839 1.00 0.27 C ATOM 1709 C ILE A 114 -1.626 5.844 6.844 1.00 0.30 C ATOM 1710 O ILE A 114 -2.279 6.803 6.483 1.00 0.50 O ATOM 1711 CB ILE A 114 0.555 5.741 5.601 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.514 4.811 4.850 1.00 0.38 C ATOM 1713 CG2 ILE A 114 1.172 6.194 6.904 1.00 0.44 C ATOM 1714 CD1 ILE A 114 1.320 4.796 3.347 1.00 0.59 C ATOM 0 H ILE A 114 -1.150 5.519 3.849 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.627 4.053 6.234 1.00 0.27 H new ATOM 0 HB ILE A 114 0.377 6.622 4.985 1.00 0.33 H new ATOM 0 HG12 ILE A 114 2.539 5.111 5.069 1.00 0.38 H new ATOM 0 HG13 ILE A 114 1.391 3.797 5.231 1.00 0.38 H new ATOM 0 HG21 ILE A 114 2.130 6.674 6.705 1.00 0.44 H new ATOM 0 HG22 ILE A 114 0.505 6.903 7.395 1.00 0.44 H new ATOM 0 HG23 ILE A 114 1.326 5.332 7.553 1.00 0.44 H new ATOM 0 HD11 ILE A 114 2.038 4.113 2.894 1.00 0.59 H new ATOM 0 HD12 ILE A 114 0.308 4.465 3.114 1.00 0.59 H new ATOM 0 HD13 ILE A 114 1.474 5.800 2.950 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.603 5.431 8.094 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.319 6.142 9.141 1.00 0.22 C ATOM 1728 C ASN A 115 -1.310 6.635 10.127 1.00 0.20 C ATOM 1729 O ASN A 115 -0.109 6.382 9.961 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.376 5.225 9.782 1.00 0.33 C ATOM 1731 CG ASN A 115 -2.883 4.375 10.940 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -1.719 4.060 11.052 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -3.797 3.987 11.808 1.00 0.56 N ATOM 0 H ASN A 115 -1.096 4.605 8.414 1.00 0.19 H new ATOM 0 HA ASN A 115 -2.863 6.996 8.738 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -4.203 5.842 10.132 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -3.775 4.564 9.012 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -3.531 3.404 12.602 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -4.769 4.270 11.685 1.00 0.56 H new ATOM 1740 N LYS A 116 -1.775 7.365 11.115 1.00 0.19 N ATOM 1741 CA LYS A 116 -0.903 7.865 12.137 1.00 0.20 C ATOM 1742 C LYS A 116 0.032 8.945 11.600 1.00 0.21 C ATOM 1743 O LYS A 116 1.175 9.067 12.034 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.141 6.693 12.746 1.00 0.25 C ATOM 1745 CG LYS A 116 -0.984 5.881 13.702 1.00 0.32 C ATOM 1746 CD LYS A 116 -0.140 4.894 14.473 1.00 0.40 C ATOM 1747 CE LYS A 116 -0.978 3.902 15.256 1.00 0.51 C ATOM 1748 NZ LYS A 116 -0.119 3.019 16.082 1.00 0.59 N ATOM 0 H LYS A 116 -2.756 7.623 11.227 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.494 8.345 12.917 1.00 0.20 H new ATOM 0 HB2 LYS A 116 0.220 6.045 11.947 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.736 7.070 13.272 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -1.494 6.548 14.397 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -1.756 5.348 13.147 1.00 0.32 H new ATOM 0 HD2 LYS A 116 0.505 4.353 13.780 1.00 0.40 H new ATOM 0 HD3 LYS A 116 0.512 5.436 15.159 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -1.678 4.438 15.897 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -1.572 3.299 14.569 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -0.490 2.048 16.053 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 0.851 3.030 15.708 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 -0.115 3.359 17.065 1.00 0.59 H new ATOM 1762 N MET A 117 -0.478 9.735 10.654 1.00 0.21 N ATOM 1763 CA MET A 117 0.212 10.941 10.204 1.00 0.28 C ATOM 1764 C MET A 117 -0.001 12.028 11.234 1.00 0.29 C ATOM 1765 O MET A 117 0.653 13.069 11.226 1.00 0.37 O ATOM 1766 CB MET A 117 -0.312 11.400 8.850 1.00 0.38 C ATOM 1767 CG MET A 117 0.249 10.610 7.690 1.00 0.48 C ATOM 1768 SD MET A 117 1.951 11.037 7.321 1.00 0.77 S ATOM 1769 CE MET A 117 2.684 9.421 7.481 1.00 0.92 C ATOM 0 H MET A 117 -1.367 9.560 10.185 1.00 0.21 H new ATOM 0 HA MET A 117 1.275 10.725 10.093 1.00 0.28 H new ATOM 0 HB2 MET A 117 -1.399 11.319 8.843 1.00 0.38 H new ATOM 0 HB3 MET A 117 -0.070 12.454 8.713 1.00 0.38 H new ATOM 0 HG2 MET A 117 0.187 9.546 7.917 1.00 0.48 H new ATOM 0 HG3 MET A 117 -0.365 10.784 6.806 1.00 0.48 H new ATOM 0 HE1 MET A 117 3.770 9.512 7.480 1.00 0.92 H new ATOM 0 HE2 MET A 117 2.359 8.965 8.416 1.00 0.92 H new ATOM 0 HE3 MET A 117 2.372 8.795 6.645 1.00 0.92 H new ATOM 1779 N ASP A 118 -0.950 11.755 12.110 1.00 0.27 N ATOM 1780 CA ASP A 118 -1.212 12.606 13.258 1.00 0.34 C ATOM 1781 C ASP A 118 -0.072 12.478 14.256 1.00 0.33 C ATOM 1782 O ASP A 118 0.206 13.392 15.032 1.00 0.47 O ATOM 1783 CB ASP A 118 -2.529 12.205 13.922 1.00 0.39 C ATOM 1784 CG ASP A 118 -2.553 10.744 14.328 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -2.707 9.879 13.434 1.00 0.67 O ATOM 1786 OD2 ASP A 118 -2.437 10.456 15.537 1.00 0.76 O ATOM 0 H ASP A 118 -1.560 10.940 12.047 1.00 0.27 H new ATOM 0 HA ASP A 118 -1.288 13.641 12.924 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -2.692 12.826 14.803 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.353 12.402 13.236 1.00 0.39 H new ATOM 1791 N LYS A 119 0.595 11.334 14.212 1.00 0.23 N ATOM 1792 CA LYS A 119 1.695 11.056 15.109 1.00 0.26 C ATOM 1793 C LYS A 119 3.004 11.543 14.504 1.00 0.28 C ATOM 1794 O LYS A 119 3.249 11.370 13.314 1.00 0.26 O ATOM 1795 CB LYS A 119 1.791 9.553 15.388 1.00 0.29 C ATOM 1796 CG LYS A 119 0.576 8.978 16.097 1.00 0.36 C ATOM 1797 CD LYS A 119 0.860 7.590 16.657 1.00 0.72 C ATOM 1798 CE LYS A 119 1.909 7.644 17.764 1.00 0.87 C ATOM 1799 NZ LYS A 119 2.259 6.294 18.283 1.00 1.17 N ATOM 0 H LYS A 119 0.387 10.580 13.557 1.00 0.23 H new ATOM 0 HA LYS A 119 1.513 11.582 16.046 1.00 0.26 H new ATOM 0 HB2 LYS A 119 1.931 9.027 14.444 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.677 9.362 15.994 1.00 0.29 H new ATOM 0 HG2 LYS A 119 0.277 9.644 16.907 1.00 0.36 H new ATOM 0 HG3 LYS A 119 -0.262 8.926 15.401 1.00 0.36 H new ATOM 0 HD2 LYS A 119 -0.061 7.157 17.047 1.00 0.72 H new ATOM 0 HD3 LYS A 119 1.206 6.936 15.856 1.00 0.72 H new ATOM 0 HE2 LYS A 119 2.809 8.128 17.384 1.00 0.87 H new ATOM 0 HE3 LYS A 119 1.537 8.260 18.583 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 2.708 6.387 19.216 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 1.396 5.721 18.370 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 2.918 5.830 17.626 1.00 1.17 H new ATOM 1813 N PRO A 120 3.863 12.167 15.326 1.00 0.38 N ATOM 1814 CA PRO A 120 5.195 12.612 14.897 1.00 0.45 C ATOM 1815 C PRO A 120 6.094 11.434 14.541 1.00 0.40 C ATOM 1816 O PRO A 120 7.150 11.594 13.931 1.00 0.45 O ATOM 1817 CB PRO A 120 5.749 13.344 16.120 1.00 0.57 C ATOM 1818 CG PRO A 120 4.954 12.841 17.273 1.00 0.58 C ATOM 1819 CD PRO A 120 3.595 12.508 16.732 1.00 0.48 C ATOM 0 HA PRO A 120 5.148 13.234 14.003 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.811 13.137 16.254 1.00 0.57 H new ATOM 0 HB3 PRO A 120 5.646 14.424 16.012 1.00 0.57 H new ATOM 0 HG2 PRO A 120 5.423 11.962 17.715 1.00 0.58 H new ATOM 0 HG3 PRO A 120 4.887 13.595 18.058 1.00 0.58 H new ATOM 0 HD2 PRO A 120 3.142 11.674 17.269 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.910 13.352 16.818 1.00 0.48 H new ATOM 1827 N GLU A 121 5.655 10.249 14.941 1.00 0.35 N ATOM 1828 CA GLU A 121 6.355 9.011 14.642 1.00 0.37 C ATOM 1829 C GLU A 121 6.016 8.531 13.234 1.00 0.30 C ATOM 1830 O GLU A 121 6.397 7.429 12.831 1.00 0.37 O ATOM 1831 CB GLU A 121 5.980 7.946 15.673 1.00 0.48 C ATOM 1832 CG GLU A 121 6.198 8.407 17.102 1.00 0.62 C ATOM 1833 CD GLU A 121 5.957 7.316 18.124 1.00 1.04 C ATOM 1834 OE1 GLU A 121 6.802 6.404 18.237 1.00 1.40 O ATOM 1835 OE2 GLU A 121 4.931 7.376 18.837 1.00 1.45 O ATOM 0 H GLU A 121 4.801 10.120 15.483 1.00 0.35 H new ATOM 0 HA GLU A 121 7.429 9.191 14.690 1.00 0.37 H new ATOM 0 HB2 GLU A 121 4.933 7.671 15.541 1.00 0.48 H new ATOM 0 HB3 GLU A 121 6.571 7.048 15.492 1.00 0.48 H new ATOM 0 HG2 GLU A 121 7.219 8.775 17.207 1.00 0.62 H new ATOM 0 HG3 GLU A 121 5.534 9.246 17.312 1.00 0.62 H new ATOM 1842 N ALA A 122 5.286 9.364 12.506 1.00 0.24 N ATOM 1843 CA ALA A 122 4.945 9.102 11.113 1.00 0.22 C ATOM 1844 C ALA A 122 6.201 8.924 10.268 1.00 0.21 C ATOM 1845 O ALA A 122 6.928 9.881 10.001 1.00 0.26 O ATOM 1846 CB ALA A 122 4.094 10.241 10.570 1.00 0.27 C ATOM 0 H ALA A 122 4.912 10.243 12.864 1.00 0.24 H new ATOM 0 HA ALA A 122 4.375 8.174 11.062 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.841 10.042 9.529 1.00 0.27 H new ATOM 0 HB2 ALA A 122 3.179 10.323 11.156 1.00 0.27 H new ATOM 0 HB3 ALA A 122 4.652 11.175 10.636 1.00 0.27 H new ATOM 1852 N ASN A 123 6.457 7.689 9.868 1.00 0.21 N ATOM 1853 CA ASN A 123 7.560 7.390 8.969 1.00 0.23 C ATOM 1854 C ASN A 123 7.000 6.736 7.723 1.00 0.23 C ATOM 1855 O ASN A 123 7.101 5.524 7.537 1.00 0.25 O ATOM 1856 CB ASN A 123 8.573 6.451 9.621 1.00 0.26 C ATOM 1857 CG ASN A 123 9.972 6.673 9.148 1.00 0.42 C ATOM 1858 OD1 ASN A 123 10.935 6.432 9.874 1.00 0.95 O ATOM 1859 ND2 ASN A 123 10.105 7.138 7.941 1.00 0.52 N ATOM 0 H ASN A 123 5.913 6.874 10.153 1.00 0.21 H new ATOM 0 HA ASN A 123 8.074 8.319 8.723 1.00 0.23 H new ATOM 0 HB2 ASN A 123 8.537 6.583 10.702 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.287 5.419 9.416 1.00 0.26 H new ATOM 0 HD21 ASN A 123 11.035 7.317 7.563 1.00 0.52 H new ATOM 0 HD22 ASN A 123 9.279 7.324 7.372 1.00 0.52 H new ATOM 1866 N PRO A 124 6.410 7.541 6.850 1.00 0.25 N ATOM 1867 CA PRO A 124 5.686 7.046 5.685 1.00 0.32 C ATOM 1868 C PRO A 124 6.579 6.371 4.676 1.00 0.33 C ATOM 1869 O PRO A 124 6.349 5.223 4.307 1.00 0.35 O ATOM 1870 CB PRO A 124 5.077 8.303 5.103 1.00 0.40 C ATOM 1871 CG PRO A 124 5.948 9.413 5.563 1.00 0.32 C ATOM 1872 CD PRO A 124 6.392 9.012 6.935 1.00 0.27 C ATOM 0 HA PRO A 124 4.959 6.281 5.955 1.00 0.32 H new ATOM 0 HB2 PRO A 124 5.043 8.255 4.015 1.00 0.40 H new ATOM 0 HB3 PRO A 124 4.052 8.439 5.448 1.00 0.40 H new ATOM 0 HG2 PRO A 124 6.800 9.549 4.896 1.00 0.32 H new ATOM 0 HG3 PRO A 124 5.405 10.358 5.584 1.00 0.32 H new ATOM 0 HD2 PRO A 124 7.375 9.416 7.177 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.704 9.365 7.703 1.00 0.27 H new ATOM 1880 N ASP A 125 7.597 7.091 4.249 1.00 0.37 N ATOM 1881 CA ASP A 125 8.588 6.558 3.318 1.00 0.44 C ATOM 1882 C ASP A 125 9.150 5.239 3.825 1.00 0.34 C ATOM 1883 O ASP A 125 9.561 4.391 3.035 1.00 0.33 O ATOM 1884 CB ASP A 125 9.725 7.551 3.108 1.00 0.61 C ATOM 1885 CG ASP A 125 9.287 8.783 2.346 1.00 0.99 C ATOM 1886 OD1 ASP A 125 8.600 9.646 2.936 1.00 1.44 O ATOM 1887 OD2 ASP A 125 9.625 8.894 1.149 1.00 1.13 O ATOM 0 H ASP A 125 7.766 8.056 4.532 1.00 0.37 H new ATOM 0 HA ASP A 125 8.088 6.387 2.365 1.00 0.44 H new ATOM 0 HB2 ASP A 125 10.125 7.850 4.077 1.00 0.61 H new ATOM 0 HB3 ASP A 125 10.535 7.062 2.566 1.00 0.61 H new ATOM 1892 N ARG A 126 9.129 5.049 5.140 1.00 0.31 N ATOM 1893 CA ARG A 126 9.650 3.816 5.706 1.00 0.31 C ATOM 1894 C ARG A 126 8.619 2.724 5.563 1.00 0.27 C ATOM 1895 O ARG A 126 8.876 1.686 4.966 1.00 0.30 O ATOM 1896 CB ARG A 126 10.008 3.943 7.186 1.00 0.35 C ATOM 1897 CG ARG A 126 10.494 2.619 7.766 1.00 0.51 C ATOM 1898 CD ARG A 126 10.590 2.634 9.278 1.00 1.24 C ATOM 1899 NE ARG A 126 10.661 1.272 9.818 1.00 1.92 N ATOM 1900 CZ ARG A 126 10.885 0.978 11.100 1.00 2.94 C ATOM 1901 NH1 ARG A 126 11.154 1.938 11.975 1.00 3.49 N ATOM 1902 NH2 ARG A 126 10.861 -0.286 11.508 1.00 3.79 N ATOM 0 H ARG A 126 8.765 5.718 5.819 1.00 0.31 H new ATOM 0 HA ARG A 126 10.563 3.581 5.159 1.00 0.31 H new ATOM 0 HB2 ARG A 126 10.783 4.700 7.309 1.00 0.35 H new ATOM 0 HB3 ARG A 126 9.136 4.286 7.743 1.00 0.35 H new ATOM 0 HG2 ARG A 126 9.816 1.823 7.459 1.00 0.51 H new ATOM 0 HG3 ARG A 126 11.472 2.383 7.348 1.00 0.51 H new ATOM 0 HD2 ARG A 126 11.473 3.196 9.584 1.00 1.24 H new ATOM 0 HD3 ARG A 126 9.724 3.149 9.695 1.00 1.24 H new ATOM 0 HE ARG A 126 10.530 0.496 9.169 1.00 1.92 H new ATOM 0 HH11 ARG A 126 11.191 2.911 11.670 1.00 3.49 H new ATOM 0 HH12 ARG A 126 11.324 1.704 12.953 1.00 3.49 H new ATOM 0 HH21 ARG A 126 10.671 -1.034 10.841 1.00 3.79 H new ATOM 0 HH22 ARG A 126 11.033 -0.509 12.488 1.00 3.79 H new ATOM 1916 N VAL A 127 7.448 2.977 6.111 1.00 0.25 N ATOM 1917 CA VAL A 127 6.382 1.988 6.123 1.00 0.28 C ATOM 1918 C VAL A 127 5.904 1.635 4.706 1.00 0.28 C ATOM 1919 O VAL A 127 5.394 0.541 4.472 1.00 0.33 O ATOM 1920 CB VAL A 127 5.208 2.444 7.018 1.00 0.36 C ATOM 1921 CG1 VAL A 127 5.730 2.776 8.401 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.453 3.635 6.437 1.00 0.44 C ATOM 0 H VAL A 127 7.207 3.862 6.557 1.00 0.25 H new ATOM 0 HA VAL A 127 6.795 1.076 6.553 1.00 0.28 H new ATOM 0 HB VAL A 127 4.496 1.620 7.073 1.00 0.36 H new ATOM 0 HG11 VAL A 127 4.903 3.098 9.034 1.00 0.59 H new ATOM 0 HG12 VAL A 127 6.197 1.892 8.835 1.00 0.59 H new ATOM 0 HG13 VAL A 127 6.466 3.577 8.330 1.00 0.59 H new ATOM 0 HG21 VAL A 127 3.639 3.912 7.107 1.00 0.44 H new ATOM 0 HG22 VAL A 127 5.134 4.478 6.325 1.00 0.44 H new ATOM 0 HG23 VAL A 127 4.045 3.367 5.463 1.00 0.44 H new ATOM 1932 N MET A 128 6.100 2.550 3.758 1.00 0.27 N ATOM 1933 CA MET A 128 5.787 2.272 2.357 1.00 0.31 C ATOM 1934 C MET A 128 6.967 1.559 1.690 1.00 0.26 C ATOM 1935 O MET A 128 6.821 0.940 0.635 1.00 0.35 O ATOM 1936 CB MET A 128 5.410 3.568 1.610 1.00 0.52 C ATOM 1937 CG MET A 128 6.564 4.518 1.327 1.00 0.81 C ATOM 1938 SD MET A 128 6.012 6.198 0.932 1.00 0.67 S ATOM 1939 CE MET A 128 4.994 5.939 -0.523 1.00 0.46 C ATOM 0 H MET A 128 6.471 3.484 3.932 1.00 0.27 H new ATOM 0 HA MET A 128 4.921 1.611 2.312 1.00 0.31 H new ATOM 0 HB2 MET A 128 4.943 3.298 0.663 1.00 0.52 H new ATOM 0 HB3 MET A 128 4.660 4.099 2.195 1.00 0.52 H new ATOM 0 HG2 MET A 128 7.222 4.552 2.195 1.00 0.81 H new ATOM 0 HG3 MET A 128 7.153 4.129 0.496 1.00 0.81 H new ATOM 0 HE1 MET A 128 4.168 6.650 -0.520 1.00 0.46 H new ATOM 0 HE2 MET A 128 5.596 6.086 -1.419 1.00 0.46 H new ATOM 0 HE3 MET A 128 4.599 4.923 -0.514 1.00 0.46 H new ATOM 1949 N GLN A 129 8.135 1.638 2.321 1.00 0.24 N ATOM 1950 CA GLN A 129 9.286 0.847 1.903 1.00 0.27 C ATOM 1951 C GLN A 129 9.132 -0.598 2.354 1.00 0.30 C ATOM 1952 O GLN A 129 9.451 -1.521 1.613 1.00 0.33 O ATOM 1953 CB GLN A 129 10.587 1.415 2.466 1.00 0.32 C ATOM 1954 CG GLN A 129 11.494 1.998 1.406 1.00 0.42 C ATOM 1955 CD GLN A 129 12.850 2.374 1.961 1.00 0.54 C ATOM 1956 OE1 GLN A 129 13.065 3.498 2.414 1.00 1.17 O ATOM 1957 NE2 GLN A 129 13.777 1.429 1.936 1.00 1.31 N ATOM 0 H GLN A 129 8.309 2.242 3.124 1.00 0.24 H new ATOM 0 HA GLN A 129 9.330 0.887 0.815 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.351 2.188 3.198 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.120 0.626 2.996 1.00 0.32 H new ATOM 0 HG2 GLN A 129 11.620 1.275 0.600 1.00 0.42 H new ATOM 0 HG3 GLN A 129 11.023 2.880 0.972 1.00 0.42 H new ATOM 0 HE21 GLN A 129 13.558 0.510 1.552 1.00 1.31 H new ATOM 0 HE22 GLN A 129 14.710 1.620 2.301 1.00 1.31 H new ATOM 1966 N GLU A 130 8.636 -0.784 3.575 1.00 0.37 N ATOM 1967 CA GLU A 130 8.371 -2.124 4.102 1.00 0.43 C ATOM 1968 C GLU A 130 7.386 -2.832 3.182 1.00 0.36 C ATOM 1969 O GLU A 130 7.464 -4.042 2.942 1.00 0.35 O ATOM 1970 CB GLU A 130 7.778 -2.042 5.516 1.00 0.61 C ATOM 1971 CG GLU A 130 8.340 -0.914 6.367 1.00 0.63 C ATOM 1972 CD GLU A 130 9.784 -1.122 6.783 1.00 1.04 C ATOM 1973 OE1 GLU A 130 10.610 -1.511 5.931 1.00 1.64 O ATOM 1974 OE2 GLU A 130 10.098 -0.909 7.977 1.00 1.63 O ATOM 0 H GLU A 130 8.409 -0.026 4.219 1.00 0.37 H new ATOM 0 HA GLU A 130 9.308 -2.678 4.150 1.00 0.43 H new ATOM 0 HB2 GLU A 130 6.698 -1.918 5.438 1.00 0.61 H new ATOM 0 HB3 GLU A 130 7.954 -2.989 6.027 1.00 0.61 H new ATOM 0 HG2 GLU A 130 8.263 0.021 5.812 1.00 0.63 H new ATOM 0 HG3 GLU A 130 7.726 -0.805 7.261 1.00 0.63 H new ATOM 1981 N LEU A 131 6.470 -2.045 2.650 1.00 0.36 N ATOM 1982 CA LEU A 131 5.499 -2.530 1.702 1.00 0.37 C ATOM 1983 C LEU A 131 6.186 -2.987 0.431 1.00 0.29 C ATOM 1984 O LEU A 131 5.878 -4.054 -0.098 1.00 0.32 O ATOM 1985 CB LEU A 131 4.502 -1.420 1.402 1.00 0.49 C ATOM 1986 CG LEU A 131 3.134 -1.589 2.052 1.00 0.71 C ATOM 1987 CD1 LEU A 131 3.261 -1.927 3.509 1.00 1.36 C ATOM 1988 CD2 LEU A 131 2.354 -0.321 1.933 1.00 1.18 C ATOM 0 H LEU A 131 6.383 -1.052 2.866 1.00 0.36 H new ATOM 0 HA LEU A 131 4.971 -3.385 2.125 1.00 0.37 H new ATOM 0 HB2 LEU A 131 4.928 -0.472 1.729 1.00 0.49 H new ATOM 0 HB3 LEU A 131 4.369 -1.354 0.322 1.00 0.49 H new ATOM 0 HG LEU A 131 2.624 -2.403 1.537 1.00 0.71 H new ATOM 0 HD11 LEU A 131 2.268 -2.041 3.944 1.00 1.36 H new ATOM 0 HD12 LEU A 131 3.815 -2.859 3.619 1.00 1.36 H new ATOM 0 HD13 LEU A 131 3.793 -1.126 4.023 1.00 1.36 H new ATOM 0 HD21 LEU A 131 1.377 -0.449 2.400 1.00 1.18 H new ATOM 0 HD22 LEU A 131 2.892 0.485 2.432 1.00 1.18 H new ATOM 0 HD23 LEU A 131 2.223 -0.072 0.880 1.00 1.18 H new ATOM 2000 N MET A 132 7.153 -2.210 -0.035 1.00 0.25 N ATOM 2001 CA MET A 132 7.831 -2.541 -1.274 1.00 0.26 C ATOM 2002 C MET A 132 8.813 -3.691 -1.061 1.00 0.30 C ATOM 2003 O MET A 132 9.346 -4.251 -2.021 1.00 0.37 O ATOM 2004 CB MET A 132 8.523 -1.316 -1.890 1.00 0.32 C ATOM 2005 CG MET A 132 9.856 -0.942 -1.263 1.00 0.88 C ATOM 2006 SD MET A 132 11.260 -1.540 -2.223 1.00 1.60 S ATOM 2007 CE MET A 132 10.953 -0.716 -3.786 1.00 1.61 C ATOM 0 H MET A 132 7.480 -1.358 0.420 1.00 0.25 H new ATOM 0 HA MET A 132 7.076 -2.870 -1.988 1.00 0.26 H new ATOM 0 HB2 MET A 132 8.679 -1.503 -2.952 1.00 0.32 H new ATOM 0 HB3 MET A 132 7.851 -0.462 -1.812 1.00 0.32 H new ATOM 0 HG2 MET A 132 9.919 0.142 -1.170 1.00 0.88 H new ATOM 0 HG3 MET A 132 9.908 -1.352 -0.255 1.00 0.88 H new ATOM 0 HE1 MET A 132 11.896 -0.363 -4.203 1.00 1.61 H new ATOM 0 HE2 MET A 132 10.489 -1.416 -4.481 1.00 1.61 H new ATOM 0 HE3 MET A 132 10.287 0.132 -3.626 1.00 1.61 H new ATOM 2017 N GLU A 133 9.018 -4.061 0.201 1.00 0.32 N ATOM 2018 CA GLU A 133 9.796 -5.240 0.537 1.00 0.40 C ATOM 2019 C GLU A 133 8.974 -6.459 0.172 1.00 0.38 C ATOM 2020 O GLU A 133 9.493 -7.469 -0.302 1.00 0.45 O ATOM 2021 CB GLU A 133 10.127 -5.252 2.027 1.00 0.54 C ATOM 2022 CG GLU A 133 10.974 -4.077 2.480 1.00 0.79 C ATOM 2023 CD GLU A 133 12.421 -4.197 2.061 1.00 1.07 C ATOM 2024 OE1 GLU A 133 12.743 -3.861 0.900 1.00 1.67 O ATOM 2025 OE2 GLU A 133 13.247 -4.624 2.891 1.00 1.53 O ATOM 0 H GLU A 133 8.652 -3.555 1.008 1.00 0.32 H new ATOM 0 HA GLU A 133 10.737 -5.239 -0.013 1.00 0.40 H new ATOM 0 HB2 GLU A 133 9.197 -5.257 2.595 1.00 0.54 H new ATOM 0 HB3 GLU A 133 10.651 -6.178 2.265 1.00 0.54 H new ATOM 0 HG2 GLU A 133 10.558 -3.157 2.070 1.00 0.79 H new ATOM 0 HG3 GLU A 133 10.921 -3.995 3.566 1.00 0.79 H new ATOM 2032 N TYR A 134 7.672 -6.333 0.388 1.00 0.35 N ATOM 2033 CA TYR A 134 6.710 -7.323 -0.064 1.00 0.40 C ATOM 2034 C TYR A 134 6.198 -6.957 -1.459 1.00 0.41 C ATOM 2035 O TYR A 134 5.075 -7.288 -1.849 1.00 0.50 O ATOM 2036 CB TYR A 134 5.591 -7.439 0.961 1.00 0.46 C ATOM 2037 CG TYR A 134 6.082 -8.024 2.272 1.00 0.55 C ATOM 2038 CD1 TYR A 134 6.904 -9.146 2.272 1.00 0.98 C ATOM 2039 CD2 TYR A 134 5.766 -7.446 3.498 1.00 0.88 C ATOM 2040 CE1 TYR A 134 7.391 -9.679 3.450 1.00 1.08 C ATOM 2041 CE2 TYR A 134 6.258 -7.972 4.679 1.00 0.95 C ATOM 2042 CZ TYR A 134 7.066 -9.088 4.648 1.00 0.80 C ATOM 2043 OH TYR A 134 7.555 -9.614 5.823 1.00 0.95 O ATOM 0 H TYR A 134 7.256 -5.543 0.881 1.00 0.35 H new ATOM 0 HA TYR A 134 7.182 -8.302 -0.149 1.00 0.40 H new ATOM 0 HB2 TYR A 134 5.161 -6.454 1.142 1.00 0.46 H new ATOM 0 HB3 TYR A 134 4.795 -8.066 0.560 1.00 0.46 H new ATOM 0 HD1 TYR A 134 7.167 -9.610 1.333 1.00 0.98 H new ATOM 0 HD2 TYR A 134 5.128 -6.575 3.528 1.00 0.88 H new ATOM 0 HE1 TYR A 134 8.023 -10.554 3.430 1.00 1.08 H new ATOM 0 HE2 TYR A 134 6.010 -7.509 5.623 1.00 0.95 H new ATOM 0 HH TYR A 134 7.234 -9.080 6.579 1.00 0.95 H new ATOM 2053 N ASN A 135 7.074 -6.269 -2.188 1.00 0.36 N ATOM 2054 CA ASN A 135 6.848 -5.811 -3.554 1.00 0.43 C ATOM 2055 C ASN A 135 5.530 -5.062 -3.703 1.00 0.48 C ATOM 2056 O ASN A 135 4.685 -5.403 -4.533 1.00 0.64 O ATOM 2057 CB ASN A 135 6.935 -6.968 -4.546 1.00 0.58 C ATOM 2058 CG ASN A 135 7.107 -6.471 -5.958 1.00 0.71 C ATOM 2059 OD1 ASN A 135 7.637 -5.382 -6.181 1.00 0.89 O ATOM 2060 ND2 ASN A 135 6.687 -7.263 -6.921 1.00 1.10 N ATOM 0 H ASN A 135 7.992 -6.007 -1.830 1.00 0.36 H new ATOM 0 HA ASN A 135 7.645 -5.104 -3.784 1.00 0.43 H new ATOM 0 HB2 ASN A 135 7.773 -7.614 -4.282 1.00 0.58 H new ATOM 0 HB3 ASN A 135 6.032 -7.574 -4.480 1.00 0.58 H new ATOM 0 HD21 ASN A 135 6.795 -6.983 -7.896 1.00 1.10 H new ATOM 0 HD22 ASN A 135 6.253 -8.157 -6.693 1.00 1.10 H new ATOM 2067 N LEU A 136 5.351 -4.066 -2.864 1.00 0.44 N ATOM 2068 CA LEU A 136 4.290 -3.105 -3.021 1.00 0.54 C ATOM 2069 C LEU A 136 4.894 -1.758 -3.318 1.00 0.41 C ATOM 2070 O LEU A 136 5.345 -1.059 -2.413 1.00 0.47 O ATOM 2071 CB LEU A 136 3.477 -3.042 -1.759 1.00 0.78 C ATOM 2072 CG LEU A 136 2.675 -4.293 -1.475 1.00 0.64 C ATOM 2073 CD1 LEU A 136 2.196 -4.286 -0.042 1.00 1.36 C ATOM 2074 CD2 LEU A 136 1.511 -4.388 -2.440 1.00 1.17 C ATOM 0 H LEU A 136 5.943 -3.902 -2.050 1.00 0.44 H new ATOM 0 HA LEU A 136 3.637 -3.399 -3.843 1.00 0.54 H new ATOM 0 HB2 LEU A 136 4.145 -2.854 -0.919 1.00 0.78 H new ATOM 0 HB3 LEU A 136 2.796 -2.193 -1.821 1.00 0.78 H new ATOM 0 HG LEU A 136 3.308 -5.169 -1.616 1.00 0.64 H new ATOM 0 HD11 LEU A 136 1.620 -5.190 0.153 1.00 1.36 H new ATOM 0 HD12 LEU A 136 3.055 -4.251 0.628 1.00 1.36 H new ATOM 0 HD13 LEU A 136 1.568 -3.412 0.127 1.00 1.36 H new ATOM 0 HD21 LEU A 136 0.937 -5.291 -2.230 1.00 1.17 H new ATOM 0 HD22 LEU A 136 0.869 -3.515 -2.323 1.00 1.17 H new ATOM 0 HD23 LEU A 136 1.888 -4.427 -3.462 1.00 1.17 H new ATOM 2086 N VAL A 137 4.917 -1.395 -4.579 1.00 0.31 N ATOM 2087 CA VAL A 137 5.690 -0.245 -4.990 1.00 0.27 C ATOM 2088 C VAL A 137 4.819 0.977 -5.184 1.00 0.29 C ATOM 2089 O VAL A 137 3.931 1.007 -6.037 1.00 0.33 O ATOM 2090 CB VAL A 137 6.489 -0.499 -6.271 1.00 0.29 C ATOM 2091 CG1 VAL A 137 7.382 0.698 -6.562 1.00 0.43 C ATOM 2092 CG2 VAL A 137 7.302 -1.775 -6.153 1.00 0.41 C ATOM 0 H VAL A 137 4.417 -1.871 -5.330 1.00 0.31 H new ATOM 0 HA VAL A 137 6.393 -0.061 -4.177 1.00 0.27 H new ATOM 0 HB VAL A 137 5.797 -0.628 -7.104 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.950 0.515 -7.474 1.00 0.43 H new ATOM 0 HG12 VAL A 137 6.767 1.588 -6.690 1.00 0.43 H new ATOM 0 HG13 VAL A 137 8.070 0.849 -5.730 1.00 0.43 H new ATOM 0 HG21 VAL A 137 7.862 -1.936 -7.074 1.00 0.41 H new ATOM 0 HG22 VAL A 137 7.996 -1.688 -5.317 1.00 0.41 H new ATOM 0 HG23 VAL A 137 6.633 -2.618 -5.983 1.00 0.41 H new ATOM 2102 N PRO A 138 5.063 1.984 -4.341 1.00 0.34 N ATOM 2103 CA PRO A 138 4.482 3.302 -4.461 1.00 0.43 C ATOM 2104 C PRO A 138 4.506 3.803 -5.878 1.00 0.43 C ATOM 2105 O PRO A 138 5.488 3.637 -6.605 1.00 0.45 O ATOM 2106 CB PRO A 138 5.395 4.150 -3.591 1.00 0.53 C ATOM 2107 CG PRO A 138 5.860 3.231 -2.529 1.00 0.54 C ATOM 2108 CD PRO A 138 5.913 1.873 -3.158 1.00 0.39 C ATOM 0 HA PRO A 138 3.433 3.323 -4.165 1.00 0.43 H new ATOM 0 HB2 PRO A 138 6.232 4.548 -4.165 1.00 0.53 H new ATOM 0 HB3 PRO A 138 4.862 5.003 -3.171 1.00 0.53 H new ATOM 0 HG2 PRO A 138 6.841 3.528 -2.157 1.00 0.54 H new ATOM 0 HG3 PRO A 138 5.179 3.241 -1.678 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.933 1.600 -3.427 1.00 0.39 H new ATOM 0 HD3 PRO A 138 5.546 1.105 -2.476 1.00 0.39 H new ATOM 2116 N GLU A 139 3.425 4.421 -6.267 1.00 0.48 N ATOM 2117 CA GLU A 139 3.328 4.975 -7.612 1.00 0.56 C ATOM 2118 C GLU A 139 4.183 6.231 -7.720 1.00 0.56 C ATOM 2119 O GLU A 139 4.485 6.703 -8.816 1.00 0.64 O ATOM 2120 CB GLU A 139 1.873 5.231 -8.023 1.00 0.71 C ATOM 2121 CG GLU A 139 1.071 6.086 -7.057 1.00 1.35 C ATOM 2122 CD GLU A 139 1.343 7.573 -7.205 1.00 2.40 C ATOM 2123 OE1 GLU A 139 1.002 8.146 -8.260 1.00 2.78 O ATOM 2124 OE2 GLU A 139 1.881 8.182 -6.258 1.00 3.08 O ATOM 0 H GLU A 139 2.598 4.559 -5.686 1.00 0.48 H new ATOM 0 HA GLU A 139 3.715 4.238 -8.316 1.00 0.56 H new ATOM 0 HB2 GLU A 139 1.867 5.713 -9.001 1.00 0.71 H new ATOM 0 HB3 GLU A 139 1.370 4.271 -8.138 1.00 0.71 H new ATOM 0 HG2 GLU A 139 0.008 5.900 -7.214 1.00 1.35 H new ATOM 0 HG3 GLU A 139 1.300 5.781 -6.036 1.00 1.35 H new ATOM 2131 N GLU A 140 4.582 6.754 -6.562 1.00 0.54 N ATOM 2132 CA GLU A 140 5.598 7.793 -6.497 1.00 0.60 C ATOM 2133 C GLU A 140 6.945 7.241 -6.960 1.00 0.56 C ATOM 2134 O GLU A 140 7.799 7.987 -7.435 1.00 0.65 O ATOM 2135 CB GLU A 140 5.723 8.370 -5.071 1.00 0.67 C ATOM 2136 CG GLU A 140 5.461 7.382 -3.954 1.00 0.63 C ATOM 2137 CD GLU A 140 3.990 7.261 -3.627 1.00 1.12 C ATOM 2138 OE1 GLU A 140 3.470 8.118 -2.889 1.00 1.27 O ATOM 2139 OE2 GLU A 140 3.349 6.305 -4.110 1.00 1.57 O ATOM 0 H GLU A 140 4.213 6.471 -5.654 1.00 0.54 H new ATOM 0 HA GLU A 140 5.293 8.602 -7.161 1.00 0.60 H new ATOM 0 HB2 GLU A 140 6.726 8.777 -4.947 1.00 0.67 H new ATOM 0 HB3 GLU A 140 5.026 9.202 -4.970 1.00 0.67 H new ATOM 0 HG2 GLU A 140 5.849 6.404 -4.239 1.00 0.63 H new ATOM 0 HG3 GLU A 140 6.005 7.693 -3.062 1.00 0.63 H new ATOM 2146 N TRP A 141 7.135 5.929 -6.818 1.00 0.47 N ATOM 2147 CA TRP A 141 8.375 5.293 -7.218 1.00 0.49 C ATOM 2148 C TRP A 141 8.205 4.591 -8.558 1.00 0.51 C ATOM 2149 O TRP A 141 9.183 4.211 -9.203 1.00 0.66 O ATOM 2150 CB TRP A 141 8.823 4.301 -6.168 1.00 0.45 C ATOM 2151 CG TRP A 141 8.918 4.882 -4.786 1.00 0.46 C ATOM 2152 CD1 TRP A 141 8.875 6.201 -4.427 1.00 0.54 C ATOM 2153 CD2 TRP A 141 9.071 4.149 -3.579 1.00 0.44 C ATOM 2154 NE1 TRP A 141 8.967 6.320 -3.063 1.00 0.55 N ATOM 2155 CE2 TRP A 141 9.095 5.070 -2.520 1.00 0.49 C ATOM 2156 CE3 TRP A 141 9.187 2.793 -3.298 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 9.220 4.675 -1.193 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 9.313 2.397 -1.985 1.00 0.50 C ATOM 2159 CH2 TRP A 141 9.331 3.336 -0.943 1.00 0.52 C ATOM 0 H TRP A 141 6.441 5.292 -6.428 1.00 0.47 H new ATOM 0 HA TRP A 141 9.138 6.065 -7.320 1.00 0.49 H new ATOM 0 HB2 TRP A 141 8.126 3.463 -6.153 1.00 0.45 H new ATOM 0 HB3 TRP A 141 9.796 3.901 -6.451 1.00 0.45 H new ATOM 0 HD1 TRP A 141 8.782 7.028 -5.116 1.00 0.54 H new ATOM 0 HE1 TRP A 141 8.944 7.195 -2.540 1.00 0.55 H new ATOM 0 HE3 TRP A 141 9.179 2.063 -4.094 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 9.229 5.398 -0.391 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 9.399 1.346 -1.754 1.00 0.50 H new ATOM 0 HH2 TRP A 141 9.435 2.994 0.076 1.00 0.52 H new ATOM 2170 N GLY A 142 6.956 4.409 -8.961 1.00 0.45 N ATOM 2171 CA GLY A 142 6.672 3.858 -10.269 1.00 0.50 C ATOM 2172 C GLY A 142 6.235 2.407 -10.234 1.00 0.45 C ATOM 2173 O GLY A 142 6.397 1.693 -11.221 1.00 0.53 O ATOM 0 H GLY A 142 6.132 4.634 -8.403 1.00 0.45 H new ATOM 0 HA2 GLY A 142 5.891 4.453 -10.743 1.00 0.50 H new ATOM 0 HA3 GLY A 142 7.562 3.946 -10.892 1.00 0.50 H new ATOM 2177 N GLY A 143 5.684 1.953 -9.110 1.00 0.39 N ATOM 2178 CA GLY A 143 5.183 0.598 -9.049 1.00 0.41 C ATOM 2179 C GLY A 143 3.734 0.510 -9.458 1.00 0.45 C ATOM 2180 O GLY A 143 3.371 0.889 -10.572 1.00 0.60 O ATOM 0 H GLY A 143 5.578 2.495 -8.252 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.782 -0.039 -9.699 1.00 0.41 H new ATOM 0 HA3 GLY A 143 5.297 0.215 -8.035 1.00 0.41 H new ATOM 2184 N ASP A 144 2.901 0.034 -8.549 1.00 0.40 N ATOM 2185 CA ASP A 144 1.480 -0.103 -8.835 1.00 0.45 C ATOM 2186 C ASP A 144 0.635 -0.134 -7.565 1.00 0.33 C ATOM 2187 O ASP A 144 -0.088 -1.100 -7.259 1.00 0.35 O ATOM 2188 CB ASP A 144 1.214 -1.344 -9.701 1.00 0.64 C ATOM 2189 CG ASP A 144 1.929 -2.595 -9.207 1.00 1.33 C ATOM 2190 OD1 ASP A 144 1.405 -3.246 -8.276 1.00 1.91 O ATOM 2191 OD2 ASP A 144 3.017 -2.928 -9.726 1.00 1.91 O ATOM 0 H ASP A 144 3.179 -0.262 -7.613 1.00 0.40 H new ATOM 0 HA ASP A 144 1.180 0.782 -9.396 1.00 0.45 H new ATOM 0 HB2 ASP A 144 0.141 -1.535 -9.728 1.00 0.64 H new ATOM 0 HB3 ASP A 144 1.527 -1.137 -10.724 1.00 0.64 H new ATOM 2196 N THR A 145 0.686 0.972 -6.857 1.00 0.26 N ATOM 2197 CA THR A 145 -0.139 1.182 -5.697 1.00 0.24 C ATOM 2198 C THR A 145 -0.231 2.666 -5.387 1.00 0.27 C ATOM 2199 O THR A 145 0.791 3.345 -5.270 1.00 0.37 O ATOM 2200 CB THR A 145 0.416 0.447 -4.461 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.391 -0.971 -4.663 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.390 0.806 -3.229 1.00 0.30 C ATOM 0 H THR A 145 1.305 1.753 -7.074 1.00 0.26 H new ATOM 0 HA THR A 145 -1.127 0.781 -5.923 1.00 0.24 H new ATOM 0 HB THR A 145 1.449 0.761 -4.313 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.138 -1.178 -5.461 1.00 0.30 H new ATOM 0 HG21 THR A 145 0.013 0.279 -2.364 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.334 1.881 -3.058 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.430 0.516 -3.377 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.450 3.175 -5.280 1.00 0.26 N ATOM 2211 CA ILE A 146 -1.653 4.527 -4.823 1.00 0.28 C ATOM 2212 C ILE A 146 -1.414 4.571 -3.322 1.00 0.23 C ATOM 2213 O ILE A 146 -2.218 4.075 -2.532 1.00 0.24 O ATOM 2214 CB ILE A 146 -3.070 5.032 -5.158 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -3.243 5.183 -6.672 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.349 6.345 -4.452 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.343 6.236 -7.281 1.00 0.63 C ATOM 0 H ILE A 146 -2.306 2.668 -5.505 1.00 0.26 H new ATOM 0 HA ILE A 146 -0.950 5.184 -5.335 1.00 0.28 H new ATOM 0 HB ILE A 146 -3.791 4.295 -4.804 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -3.042 4.224 -7.150 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -4.281 5.435 -6.888 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.354 6.686 -4.701 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.271 6.202 -3.374 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -2.623 7.092 -4.773 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.519 6.288 -8.355 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -2.559 7.205 -6.830 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -1.301 5.975 -7.097 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.274 5.113 -2.954 1.00 0.25 N ATOM 2230 CA PHE A 147 0.127 5.190 -1.563 1.00 0.30 C ATOM 2231 C PHE A 147 -0.340 6.489 -0.922 1.00 0.32 C ATOM 2232 O PHE A 147 0.226 7.557 -1.149 1.00 0.50 O ATOM 2233 CB PHE A 147 1.634 5.083 -1.441 1.00 0.41 C ATOM 2234 CG PHE A 147 2.142 3.680 -1.320 1.00 0.33 C ATOM 2235 CD1 PHE A 147 2.145 2.834 -2.415 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.606 3.205 -0.114 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.605 1.537 -2.302 1.00 0.33 C ATOM 2238 CE2 PHE A 147 3.066 1.908 0.006 1.00 0.36 C ATOM 2239 CZ PHE A 147 3.097 1.085 -1.101 1.00 0.33 C ATOM 0 H PHE A 147 0.401 5.512 -3.607 1.00 0.25 H new ATOM 0 HA PHE A 147 -0.342 4.357 -1.040 1.00 0.30 H new ATOM 0 HB2 PHE A 147 2.092 5.549 -2.313 1.00 0.41 H new ATOM 0 HB3 PHE A 147 1.958 5.651 -0.569 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.784 3.192 -3.368 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.610 3.854 0.749 1.00 0.37 H new ATOM 0 HE1 PHE A 147 2.578 0.878 -3.157 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.401 1.539 0.964 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.507 0.089 -1.024 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.361 6.377 -0.110 1.00 0.26 N ATOM 2250 CA CYS A 148 -1.923 7.515 0.596 1.00 0.27 C ATOM 2251 C CYS A 148 -1.313 7.611 1.986 1.00 0.31 C ATOM 2252 O CYS A 148 -1.095 6.597 2.636 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.439 7.349 0.699 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.256 7.085 -0.890 1.00 0.68 S ATOM 0 H CYS A 148 -1.832 5.493 0.085 1.00 0.26 H new ATOM 0 HA CYS A 148 -1.698 8.431 0.049 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -3.659 6.506 1.354 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -3.861 8.237 1.170 1.00 0.30 H new ATOM 0 HG CYS A 148 -3.586 7.686 -1.828 1.00 0.68 H new ATOM 2260 N LYS A 149 -1.015 8.819 2.435 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.507 9.023 3.786 1.00 0.28 C ATOM 2262 C LYS A 149 -1.521 9.827 4.585 1.00 0.28 C ATOM 2263 O LYS A 149 -1.632 11.046 4.420 1.00 0.40 O ATOM 2264 CB LYS A 149 0.849 9.746 3.782 1.00 0.36 C ATOM 2265 CG LYS A 149 1.910 9.087 2.911 1.00 0.56 C ATOM 2266 CD LYS A 149 1.888 9.644 1.498 1.00 0.89 C ATOM 2267 CE LYS A 149 2.885 8.944 0.592 1.00 1.01 C ATOM 2268 NZ LYS A 149 2.855 9.509 -0.782 1.00 1.44 N ATOM 0 H LYS A 149 -1.115 9.673 1.887 1.00 0.29 H new ATOM 0 HA LYS A 149 -0.356 8.046 4.245 1.00 0.28 H new ATOM 0 HB2 LYS A 149 0.700 10.770 3.440 1.00 0.36 H new ATOM 0 HB3 LYS A 149 1.220 9.803 4.805 1.00 0.36 H new ATOM 0 HG2 LYS A 149 2.895 9.245 3.351 1.00 0.56 H new ATOM 0 HG3 LYS A 149 1.743 8.010 2.882 1.00 0.56 H new ATOM 0 HD2 LYS A 149 0.886 9.539 1.083 1.00 0.89 H new ATOM 0 HD3 LYS A 149 2.111 10.711 1.526 1.00 0.89 H new ATOM 0 HE2 LYS A 149 3.888 9.043 1.006 1.00 1.01 H new ATOM 0 HE3 LYS A 149 2.660 7.878 0.554 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 2.975 8.743 -1.475 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 1.943 9.982 -0.943 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 3.626 10.198 -0.891 1.00 1.44 H new ATOM 2282 N LEU A 150 -2.264 9.146 5.439 1.00 0.21 N ATOM 2283 CA LEU A 150 -3.362 9.763 6.147 1.00 0.22 C ATOM 2284 C LEU A 150 -3.237 9.581 7.654 1.00 0.19 C ATOM 2285 O LEU A 150 -2.257 9.054 8.174 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.685 9.174 5.652 1.00 0.25 C ATOM 2287 CG LEU A 150 -4.930 7.701 5.949 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -5.722 7.514 7.230 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -5.635 7.039 4.786 1.00 0.84 C ATOM 0 H LEU A 150 -2.122 8.160 5.657 1.00 0.21 H new ATOM 0 HA LEU A 150 -3.336 10.834 5.945 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.500 9.750 6.091 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.739 9.317 4.573 1.00 0.25 H new ATOM 0 HG LEU A 150 -3.960 7.224 6.090 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -5.878 6.450 7.410 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -5.171 7.946 8.065 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -6.687 8.011 7.137 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -5.803 5.986 5.014 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -6.593 7.530 4.614 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -5.018 7.123 3.891 1.00 0.84 H new ATOM 2301 N SER A 151 -4.266 10.013 8.330 1.00 0.26 N ATOM 2302 CA SER A 151 -4.361 9.973 9.764 1.00 0.29 C ATOM 2303 C SER A 151 -5.822 9.882 10.145 1.00 0.25 C ATOM 2304 O SER A 151 -6.510 10.898 10.247 1.00 0.29 O ATOM 2305 CB SER A 151 -3.762 11.241 10.335 1.00 0.46 C ATOM 2306 OG SER A 151 -3.997 12.334 9.462 1.00 1.77 O ATOM 0 H SER A 151 -5.089 10.416 7.883 1.00 0.26 H new ATOM 0 HA SER A 151 -3.822 9.112 10.158 1.00 0.29 H new ATOM 0 HB2 SER A 151 -4.197 11.448 11.313 1.00 0.46 H new ATOM 0 HB3 SER A 151 -2.690 11.110 10.484 1.00 0.46 H new ATOM 0 HG SER A 151 -3.882 13.175 9.952 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.310 8.671 10.310 1.00 0.28 N ATOM 2313 CA ALA A 152 -7.695 8.476 10.688 1.00 0.31 C ATOM 2314 C ALA A 152 -7.917 8.970 12.103 1.00 0.33 C ATOM 2315 O ALA A 152 -9.048 9.170 12.535 1.00 0.41 O ATOM 2316 CB ALA A 152 -8.077 7.023 10.553 1.00 0.41 C ATOM 0 H ALA A 152 -5.774 7.812 10.190 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.333 9.053 10.018 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -9.120 6.893 10.841 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -7.944 6.706 9.519 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -7.444 6.418 11.202 1.00 0.41 H new ATOM 2322 N LYS A 153 -6.817 9.154 12.818 1.00 0.30 N ATOM 2323 CA LYS A 153 -6.860 9.778 14.123 1.00 0.34 C ATOM 2324 C LYS A 153 -7.283 11.242 14.012 1.00 0.36 C ATOM 2325 O LYS A 153 -8.253 11.654 14.637 1.00 0.49 O ATOM 2326 CB LYS A 153 -5.506 9.675 14.791 1.00 0.35 C ATOM 2327 CG LYS A 153 -5.564 9.293 16.259 1.00 0.60 C ATOM 2328 CD LYS A 153 -6.198 10.382 17.117 1.00 1.12 C ATOM 2329 CE LYS A 153 -5.424 11.696 17.045 1.00 1.65 C ATOM 2330 NZ LYS A 153 -4.025 11.560 17.534 1.00 2.30 N ATOM 0 H LYS A 153 -5.884 8.878 12.512 1.00 0.30 H new ATOM 0 HA LYS A 153 -7.598 9.255 14.731 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -4.906 8.937 14.259 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -4.993 10.632 14.696 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -6.133 8.370 16.369 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -4.555 9.091 16.619 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -7.224 10.548 16.790 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -6.244 10.046 18.153 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -5.413 12.051 16.015 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -5.941 12.451 17.637 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -3.676 12.487 17.850 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -3.999 10.891 18.330 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -3.421 11.207 16.765 1.00 2.30 H new ATOM 2344 N THR A 154 -6.561 12.035 13.213 1.00 0.30 N ATOM 2345 CA THR A 154 -6.889 13.451 13.104 1.00 0.39 C ATOM 2346 C THR A 154 -7.985 13.716 12.077 1.00 0.36 C ATOM 2347 O THR A 154 -8.489 14.839 11.978 1.00 0.41 O ATOM 2348 CB THR A 154 -5.651 14.289 12.776 1.00 0.47 C ATOM 2349 OG1 THR A 154 -4.752 13.523 11.974 1.00 0.50 O ATOM 2350 CG2 THR A 154 -4.954 14.742 14.050 1.00 0.70 C ATOM 0 H THR A 154 -5.769 11.728 12.649 1.00 0.30 H new ATOM 0 HA THR A 154 -7.268 13.752 14.081 1.00 0.39 H new ATOM 0 HB THR A 154 -5.965 15.175 12.224 1.00 0.47 H new ATOM 0 HG1 THR A 154 -4.092 14.119 11.562 1.00 0.50 H new ATOM 0 HG21 THR A 154 -4.077 15.336 13.793 1.00 0.70 H new ATOM 0 HG22 THR A 154 -5.640 15.345 14.645 1.00 0.70 H new ATOM 0 HG23 THR A 154 -4.645 13.869 14.626 1.00 0.70 H new ATOM 2358 N LYS A 155 -8.337 12.677 11.316 1.00 0.30 N ATOM 2359 CA LYS A 155 -9.442 12.748 10.353 1.00 0.32 C ATOM 2360 C LYS A 155 -9.069 13.608 9.162 1.00 0.34 C ATOM 2361 O LYS A 155 -9.870 14.410 8.683 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.727 13.288 10.994 1.00 0.38 C ATOM 2363 CG LYS A 155 -11.581 12.228 11.661 1.00 0.40 C ATOM 2364 CD LYS A 155 -11.890 11.103 10.695 1.00 0.45 C ATOM 2365 CE LYS A 155 -13.075 10.278 11.162 1.00 0.61 C ATOM 2366 NZ LYS A 155 -14.322 11.086 11.216 1.00 1.36 N ATOM 0 H LYS A 155 -7.870 11.771 11.348 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.631 11.729 10.016 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -10.461 14.043 11.734 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -11.320 13.787 10.228 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -11.062 11.832 12.534 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -12.510 12.673 12.017 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -12.100 11.517 9.708 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -11.016 10.460 10.592 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -13.218 9.433 10.488 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -12.865 9.867 12.149 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -15.126 10.506 10.901 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -14.487 11.405 12.192 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -14.227 11.913 10.593 1.00 1.36 H new ATOM 2380 N GLU A 156 -7.857 13.431 8.679 1.00 0.30 N ATOM 2381 CA GLU A 156 -7.376 14.233 7.556 1.00 0.33 C ATOM 2382 C GLU A 156 -7.381 13.410 6.280 1.00 0.28 C ATOM 2383 O GLU A 156 -8.209 13.591 5.379 1.00 0.30 O ATOM 2384 CB GLU A 156 -5.955 14.730 7.819 1.00 0.40 C ATOM 2385 CG GLU A 156 -5.753 15.272 9.218 1.00 1.30 C ATOM 2386 CD GLU A 156 -4.319 15.677 9.477 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -3.932 16.796 9.092 1.00 1.52 O ATOM 2388 OE2 GLU A 156 -3.563 14.861 10.052 1.00 2.48 O ATOM 0 H GLU A 156 -7.188 12.749 9.036 1.00 0.30 H new ATOM 0 HA GLU A 156 -8.043 15.088 7.444 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -5.255 13.911 7.651 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -5.712 15.510 7.097 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -6.404 16.133 9.369 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -6.051 14.516 9.944 1.00 1.30 H new ATOM 2395 N GLY A 157 -6.462 12.468 6.240 1.00 0.29 N ATOM 2396 CA GLY A 157 -6.252 11.683 5.054 1.00 0.28 C ATOM 2397 C GLY A 157 -7.386 10.728 4.739 1.00 0.27 C ATOM 2398 O GLY A 157 -7.357 10.060 3.716 1.00 0.29 O ATOM 0 H GLY A 157 -5.850 12.231 7.021 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -6.110 12.354 4.207 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -5.330 11.112 5.167 1.00 0.28 H new ATOM 2402 N LEU A 158 -8.378 10.644 5.616 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.546 9.821 5.339 1.00 0.28 C ATOM 2404 C LEU A 158 -10.359 10.467 4.236 1.00 0.30 C ATOM 2405 O LEU A 158 -10.910 9.791 3.370 1.00 0.33 O ATOM 2406 CB LEU A 158 -10.404 9.633 6.588 1.00 0.31 C ATOM 2407 CG LEU A 158 -9.849 8.649 7.618 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -10.851 8.427 8.737 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.490 7.327 6.954 1.00 0.80 C ATOM 0 H LEU A 158 -8.398 11.129 6.513 1.00 0.26 H new ATOM 0 HA LEU A 158 -9.210 8.834 5.021 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -10.534 10.602 7.069 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.394 9.294 6.282 1.00 0.31 H new ATOM 0 HG LEU A 158 -8.943 9.076 8.047 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.439 7.724 9.461 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -11.060 9.376 9.232 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -11.775 8.022 8.323 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -9.097 6.639 7.702 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.381 6.896 6.497 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -8.735 7.498 6.186 1.00 0.80 H new ATOM 2421 N ASP A 159 -10.398 11.790 4.267 1.00 0.32 N ATOM 2422 CA ASP A 159 -11.018 12.555 3.200 1.00 0.38 C ATOM 2423 C ASP A 159 -10.171 12.428 1.941 1.00 0.32 C ATOM 2424 O ASP A 159 -10.686 12.286 0.832 1.00 0.33 O ATOM 2425 CB ASP A 159 -11.158 14.023 3.614 1.00 0.50 C ATOM 2426 CG ASP A 159 -11.817 14.878 2.549 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -13.064 14.879 2.469 1.00 1.42 O ATOM 2428 OD2 ASP A 159 -11.092 15.573 1.802 1.00 2.20 O ATOM 0 H ASP A 159 -10.007 12.355 5.021 1.00 0.32 H new ATOM 0 HA ASP A 159 -12.016 12.165 3.000 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -11.742 14.082 4.532 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -10.171 14.428 3.838 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.854 12.440 2.132 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.919 12.271 1.023 1.00 0.30 C ATOM 2435 C HIS A 160 -7.924 10.828 0.500 1.00 0.28 C ATOM 2436 O HIS A 160 -7.434 10.555 -0.591 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.506 12.681 1.459 1.00 0.34 C ATOM 2438 CG HIS A 160 -5.460 12.514 0.392 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -5.386 13.309 -0.731 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.446 11.624 0.285 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -4.372 12.917 -1.477 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.786 11.898 -0.885 1.00 0.54 N ATOM 0 H HIS A 160 -8.411 12.565 3.042 1.00 0.30 H new ATOM 0 HA HIS A 160 -8.241 12.918 0.207 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -6.524 13.724 1.775 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -6.220 12.089 2.329 1.00 0.34 H new ATOM 0 HD1 HIS A 160 -6.017 14.080 -0.951 1.00 0.52 H new ATOM 0 HD2 HIS A 160 -4.202 10.843 0.990 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -4.073 13.358 -2.416 1.00 0.58 H new ATOM 2451 N LEU A 161 -8.493 9.911 1.264 1.00 0.27 N ATOM 2452 CA LEU A 161 -8.502 8.509 0.874 1.00 0.28 C ATOM 2453 C LEU A 161 -9.552 8.293 -0.200 1.00 0.29 C ATOM 2454 O LEU A 161 -9.252 7.822 -1.295 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.800 7.616 2.086 1.00 0.29 C ATOM 2456 CG LEU A 161 -8.048 6.277 2.141 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -8.533 5.448 3.321 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -8.209 5.493 0.847 1.00 1.16 C ATOM 0 H LEU A 161 -8.952 10.109 2.153 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.520 8.242 0.483 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -8.568 8.177 2.991 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.870 7.409 2.105 1.00 0.29 H new ATOM 0 HG LEU A 161 -6.988 6.496 2.269 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.992 4.502 3.348 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -8.355 5.994 4.247 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -9.600 5.253 3.214 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -7.664 4.552 0.922 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -9.266 5.288 0.675 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -7.813 6.077 0.016 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.778 8.675 0.117 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.900 8.500 -0.789 1.00 0.37 C ATOM 2472 C LEU A 162 -11.721 9.323 -2.062 1.00 0.38 C ATOM 2473 O LEU A 162 -12.238 8.954 -3.110 1.00 0.45 O ATOM 2474 CB LEU A 162 -13.206 8.848 -0.064 1.00 0.47 C ATOM 2475 CG LEU A 162 -13.296 10.248 0.553 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -13.778 11.272 -0.464 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -14.208 10.229 1.768 1.00 1.51 C ATOM 0 H LEU A 162 -11.022 9.113 1.005 1.00 0.31 H new ATOM 0 HA LEU A 162 -11.945 7.456 -1.098 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -14.029 8.733 -0.770 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -13.361 8.116 0.728 1.00 0.47 H new ATOM 0 HG LEU A 162 -12.295 10.543 0.869 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -13.831 12.254 0.006 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -13.082 11.308 -1.302 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -14.767 10.989 -0.825 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -14.263 11.229 2.197 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -15.205 9.907 1.469 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -13.810 9.537 2.511 1.00 1.51 H new ATOM 2489 N GLU A 163 -10.973 10.425 -1.984 1.00 0.37 N ATOM 2490 CA GLU A 163 -10.722 11.232 -3.172 1.00 0.44 C ATOM 2491 C GLU A 163 -9.677 10.568 -4.068 1.00 0.41 C ATOM 2492 O GLU A 163 -9.715 10.716 -5.285 1.00 0.50 O ATOM 2493 CB GLU A 163 -10.283 12.655 -2.811 1.00 0.56 C ATOM 2494 CG GLU A 163 -8.932 12.732 -2.129 1.00 1.03 C ATOM 2495 CD GLU A 163 -8.483 14.152 -1.872 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -9.308 14.963 -1.409 1.00 2.14 O ATOM 2497 OE2 GLU A 163 -7.309 14.465 -2.137 1.00 2.57 O ATOM 0 H GLU A 163 -10.540 10.771 -1.128 1.00 0.37 H new ATOM 0 HA GLU A 163 -11.662 11.302 -3.719 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -10.254 13.256 -3.720 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -11.033 13.100 -2.158 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -8.977 12.194 -1.182 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -8.189 12.228 -2.747 1.00 1.03 H new ATOM 2504 N MET A 164 -8.745 9.828 -3.467 1.00 0.37 N ATOM 2505 CA MET A 164 -7.771 9.067 -4.243 1.00 0.39 C ATOM 2506 C MET A 164 -8.451 7.866 -4.871 1.00 0.37 C ATOM 2507 O MET A 164 -8.182 7.505 -6.017 1.00 0.43 O ATOM 2508 CB MET A 164 -6.593 8.611 -3.381 1.00 0.43 C ATOM 2509 CG MET A 164 -5.668 9.734 -2.933 1.00 0.64 C ATOM 2510 SD MET A 164 -4.912 10.640 -4.305 1.00 0.58 S ATOM 2511 CE MET A 164 -6.162 11.880 -4.642 1.00 0.53 C ATOM 0 H MET A 164 -8.646 9.741 -2.456 1.00 0.37 H new ATOM 0 HA MET A 164 -7.376 9.718 -5.023 1.00 0.39 H new ATOM 0 HB2 MET A 164 -6.980 8.102 -2.498 1.00 0.43 H new ATOM 0 HB3 MET A 164 -6.011 7.879 -3.941 1.00 0.43 H new ATOM 0 HG2 MET A 164 -6.231 10.432 -2.314 1.00 0.64 H new ATOM 0 HG3 MET A 164 -4.880 9.316 -2.306 1.00 0.64 H new ATOM 0 HE1 MET A 164 -6.137 12.144 -5.699 1.00 0.53 H new ATOM 0 HE2 MET A 164 -7.145 11.483 -4.390 1.00 0.53 H new ATOM 0 HE3 MET A 164 -5.965 12.768 -4.042 1.00 0.53 H new ATOM 2521 N ILE A 165 -9.346 7.258 -4.106 1.00 0.34 N ATOM 2522 CA ILE A 165 -10.190 6.189 -4.614 1.00 0.38 C ATOM 2523 C ILE A 165 -11.066 6.724 -5.747 1.00 0.44 C ATOM 2524 O ILE A 165 -11.253 6.072 -6.774 1.00 0.52 O ATOM 2525 CB ILE A 165 -11.096 5.623 -3.503 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -10.256 5.035 -2.368 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -12.033 4.570 -4.066 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -11.084 4.565 -1.190 1.00 0.50 C ATOM 0 H ILE A 165 -9.506 7.489 -3.126 1.00 0.34 H new ATOM 0 HA ILE A 165 -9.545 5.390 -4.980 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.694 6.441 -3.101 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -9.675 4.197 -2.752 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -9.544 5.786 -2.026 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -12.665 4.181 -3.268 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -12.658 5.016 -4.840 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -11.449 3.756 -4.496 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -10.426 4.159 -0.421 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -11.645 5.405 -0.781 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -11.778 3.791 -1.519 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.601 7.921 -5.541 1.00 0.46 N ATOM 2541 CA LEU A 166 -12.412 8.594 -6.543 1.00 0.57 C ATOM 2542 C LEU A 166 -11.586 8.958 -7.763 1.00 0.61 C ATOM 2543 O LEU A 166 -12.077 8.898 -8.880 1.00 0.70 O ATOM 2544 CB LEU A 166 -13.059 9.847 -5.952 1.00 0.66 C ATOM 2545 CG LEU A 166 -13.474 10.896 -6.976 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -14.967 11.169 -6.897 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -12.682 12.177 -6.768 1.00 1.38 C ATOM 0 H LEU A 166 -11.484 8.450 -4.677 1.00 0.46 H new ATOM 0 HA LEU A 166 -13.196 7.905 -6.857 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -13.938 9.550 -5.381 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -12.361 10.302 -5.249 1.00 0.66 H new ATOM 0 HG LEU A 166 -13.255 10.510 -7.972 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -15.239 11.921 -7.638 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -15.516 10.249 -7.096 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -15.218 11.533 -5.901 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -12.988 12.918 -7.506 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -12.871 12.563 -5.766 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -11.618 11.970 -6.882 1.00 1.38 H new ATOM 2559 N LEU A 167 -10.347 9.360 -7.546 1.00 0.56 N ATOM 2560 CA LEU A 167 -9.419 9.604 -8.644 1.00 0.64 C ATOM 2561 C LEU A 167 -9.359 8.375 -9.535 1.00 0.66 C ATOM 2562 O LEU A 167 -9.421 8.465 -10.760 1.00 0.75 O ATOM 2563 CB LEU A 167 -8.023 9.907 -8.103 1.00 0.64 C ATOM 2564 CG LEU A 167 -6.999 10.365 -9.146 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -7.415 11.689 -9.771 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -5.616 10.478 -8.523 1.00 1.51 C ATOM 0 H LEU A 167 -9.956 9.526 -6.619 1.00 0.56 H new ATOM 0 HA LEU A 167 -9.769 10.462 -9.218 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -8.108 10.679 -7.339 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -7.640 9.013 -7.611 1.00 0.64 H new ATOM 0 HG LEU A 167 -6.961 9.615 -9.936 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -6.672 11.993 -10.508 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -8.383 11.573 -10.258 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -7.488 12.451 -8.995 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -4.902 10.804 -9.279 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -5.641 11.204 -7.710 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -5.312 9.507 -8.133 1.00 1.51 H new ATOM 2578 N VAL A 168 -9.260 7.225 -8.892 1.00 0.61 N ATOM 2579 CA VAL A 168 -9.284 5.955 -9.581 1.00 0.69 C ATOM 2580 C VAL A 168 -10.655 5.711 -10.215 1.00 0.77 C ATOM 2581 O VAL A 168 -10.740 5.329 -11.381 1.00 0.89 O ATOM 2582 CB VAL A 168 -8.932 4.804 -8.620 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -9.040 3.470 -9.328 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -7.535 4.994 -8.050 1.00 0.66 C ATOM 0 H VAL A 168 -9.161 7.149 -7.880 1.00 0.61 H new ATOM 0 HA VAL A 168 -8.534 5.987 -10.372 1.00 0.69 H new ATOM 0 HB VAL A 168 -9.644 4.814 -7.795 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -8.788 2.668 -8.634 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -10.059 3.331 -9.688 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -8.351 3.449 -10.172 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -7.303 4.172 -7.373 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -6.809 5.010 -8.863 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -7.490 5.937 -7.504 1.00 0.66 H new