USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=23 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 14 MET CE :methyl -146:sc= -0.474 (180deg=-1.29) USER MOD Set 1.2: A 102 HIS : no HE2:sc= -5.51! C(o=-6!,f=-8!) USER MOD Set 2.1: A 21 LYS NZ :NH3+ -136:sc= 0.381 (180deg=-0.023) USER MOD Set 2.2: A 95 GLN : amide:sc= -1.85 K(o=-1.5,f=-3.2!) USER MOD Set 3.1: A 16 HIS : no HD1:sc= -7.19! C(o=-16!,f=-16!) USER MOD Set 3.2: A 19 HIS : no HD1:sc= -5.1! C(o=-16!,f=-29!) USER MOD Set 3.3: A 96 THR OG1 : rot -29:sc= -3.23! USER MOD Single : A 12 THR OG1 : rot 38:sc= 0.244 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -173:sc= -2.52! USER MOD Single : A 93 MET CE :methyl -150:sc= -0.0628 (180deg=-0.469) USER MOD Single : A 101 ASN : amide:sc= -0.0533 K(o=-0.053,f=-1.3!) USER MOD Single : A 104 LYS NZ :NH3+ -151:sc= 1.28 (180deg=-0.146) USER MOD Single : A 107 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.3!) USER MOD Single : A 115 ASN : amide:sc= -5.92! C(o=-5.9!,f=-13!) USER MOD Single : A 116 LYS NZ :NH3+ 178:sc= 1.18 (180deg=1.05) USER MOD Single : A 117 MET CE :methyl -122:sc= -2.49! (180deg=-7.46!) USER MOD Single : A 119 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.17) USER MOD Single : A 123 ASN : amide:sc= -2.71 X(o=-2.7,f=-2.4) USER MOD Single : A 128 MET CE :methyl 154:sc= -1.78 (180deg=-2.86) USER MOD Single : A 129 GLN : amide:sc= -1.43! K(o=-1.4!,f=-0.055) USER MOD Single : A 132 MET CE :methyl -163:sc= -0.25 (180deg=-0.94) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.322 K(o=-0.32,f=-1.2) USER MOD Single : A 145 THR OG1 : rot -11:sc= 0.126 USER MOD Single : A 148 CYS SG : rot 110:sc= -1.64 USER MOD Single : A 149 LYS NZ :NH3+ -146:sc= 0.558 (180deg=-0.0355) USER MOD Single : A 151 SER OG : rot -109:sc= 1.2! USER MOD Single : A 153 LYS NZ :NH3+ -168:sc= -0.0182 (180deg=-0.181) USER MOD Single : A 154 THR OG1 : rot 170:sc= -0.461 USER MOD Single : A 155 LYS NZ :NH3+ -168:sc= 0.033 (180deg=-0.151) USER MOD Single : A 160 HIS : no HD1:sc=-0.00247 X(o=-0.0025,f=-0.0025) USER MOD Single : A 164 MET CE :methyl 140:sc= -2.54! (180deg=-5.46!) USER MOD ----------------------------------------------------------------- ATOM 171 N THR A 12 -11.504 -3.434 -0.452 1.00 0.44 N ATOM 172 CA THR A 12 -11.322 -4.122 0.810 1.00 0.45 C ATOM 173 C THR A 12 -10.230 -3.457 1.637 1.00 0.41 C ATOM 174 O THR A 12 -9.102 -3.318 1.177 1.00 0.50 O ATOM 175 CB THR A 12 -10.950 -5.592 0.559 1.00 0.54 C ATOM 176 OG1 THR A 12 -11.865 -6.172 -0.380 1.00 0.61 O ATOM 177 CG2 THR A 12 -10.973 -6.384 1.854 1.00 0.64 C ATOM 0 HA THR A 12 -12.260 -4.072 1.363 1.00 0.45 H new ATOM 0 HB THR A 12 -9.940 -5.626 0.151 1.00 0.54 H new ATOM 0 HG1 THR A 12 -12.091 -5.511 -1.068 1.00 0.61 H new ATOM 0 HG21 THR A 12 -10.706 -7.421 1.651 1.00 0.64 H new ATOM 0 HG22 THR A 12 -10.257 -5.956 2.555 1.00 0.64 H new ATOM 0 HG23 THR A 12 -11.973 -6.344 2.287 1.00 0.64 H new ATOM 185 N ILE A 13 -10.566 -3.037 2.846 1.00 0.40 N ATOM 186 CA ILE A 13 -9.585 -2.424 3.726 1.00 0.40 C ATOM 187 C ILE A 13 -8.834 -3.490 4.518 1.00 0.37 C ATOM 188 O ILE A 13 -9.418 -4.217 5.323 1.00 0.52 O ATOM 189 CB ILE A 13 -10.232 -1.408 4.688 1.00 0.52 C ATOM 190 CG1 ILE A 13 -10.838 -0.248 3.890 1.00 1.15 C ATOM 191 CG2 ILE A 13 -9.206 -0.890 5.692 1.00 1.26 C ATOM 192 CD1 ILE A 13 -11.438 0.841 4.752 1.00 1.30 C ATOM 0 H ILE A 13 -11.505 -3.109 3.238 1.00 0.40 H new ATOM 0 HA ILE A 13 -8.879 -1.883 3.096 1.00 0.40 H new ATOM 0 HB ILE A 13 -11.027 -1.907 5.243 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -10.065 0.188 3.257 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -11.610 -0.640 3.227 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -9.682 -0.174 6.362 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -8.812 -1.724 6.273 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -8.390 -0.401 5.159 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -11.846 1.626 4.115 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -12.235 0.421 5.366 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -10.666 1.262 5.397 1.00 1.30 H new ATOM 204 N MET A 14 -7.543 -3.589 4.254 1.00 0.26 N ATOM 205 CA MET A 14 -6.676 -4.524 4.932 1.00 0.28 C ATOM 206 C MET A 14 -5.690 -3.763 5.794 1.00 0.24 C ATOM 207 O MET A 14 -5.723 -2.536 5.846 1.00 0.29 O ATOM 208 CB MET A 14 -5.903 -5.349 3.911 1.00 0.36 C ATOM 209 CG MET A 14 -6.760 -6.256 3.050 1.00 0.49 C ATOM 210 SD MET A 14 -7.530 -7.590 3.977 1.00 0.79 S ATOM 211 CE MET A 14 -8.164 -8.583 2.628 1.00 0.69 C ATOM 0 H MET A 14 -7.067 -3.016 3.557 1.00 0.26 H new ATOM 0 HA MET A 14 -7.282 -5.185 5.552 1.00 0.28 H new ATOM 0 HB2 MET A 14 -5.349 -4.672 3.261 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.168 -5.958 4.438 1.00 0.36 H new ATOM 0 HG2 MET A 14 -7.536 -5.662 2.568 1.00 0.49 H new ATOM 0 HG3 MET A 14 -6.145 -6.681 2.257 1.00 0.49 H new ATOM 0 HE1 MET A 14 -9.103 -9.048 2.929 1.00 0.69 H new ATOM 0 HE2 MET A 14 -8.335 -7.949 1.758 1.00 0.69 H new ATOM 0 HE3 MET A 14 -7.440 -9.358 2.375 1.00 0.69 H new ATOM 221 N GLY A 15 -4.806 -4.484 6.456 1.00 0.27 N ATOM 222 CA GLY A 15 -3.764 -3.848 7.212 1.00 0.27 C ATOM 223 C GLY A 15 -3.530 -4.520 8.530 1.00 0.24 C ATOM 224 O GLY A 15 -4.112 -5.569 8.814 1.00 0.31 O ATOM 0 H GLY A 15 -4.794 -5.504 6.481 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -2.841 -3.856 6.633 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -4.025 -2.803 7.380 1.00 0.27 H new ATOM 228 N HIS A 16 -2.674 -3.925 9.333 1.00 0.20 N ATOM 229 CA HIS A 16 -2.370 -4.468 10.643 1.00 0.17 C ATOM 230 C HIS A 16 -3.401 -4.012 11.667 1.00 0.19 C ATOM 231 O HIS A 16 -4.151 -3.061 11.450 1.00 0.22 O ATOM 232 CB HIS A 16 -0.973 -4.045 11.094 1.00 0.17 C ATOM 233 CG HIS A 16 -0.511 -4.721 12.351 1.00 0.16 C ATOM 234 ND1 HIS A 16 -0.565 -6.085 12.499 1.00 0.16 N ATOM 235 CD2 HIS A 16 -0.026 -4.175 13.483 1.00 0.19 C ATOM 236 CE1 HIS A 16 -0.114 -6.331 13.722 1.00 0.19 C ATOM 237 NE2 HIS A 16 0.225 -5.203 14.351 1.00 0.22 N ATOM 0 H HIS A 16 -2.175 -3.065 9.103 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.402 -5.555 10.569 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.263 -4.260 10.295 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -0.962 -2.966 11.248 1.00 0.17 H new ATOM 0 HD2 HIS A 16 0.135 -3.124 13.670 1.00 0.19 H new ATOM 0 HE1 HIS A 16 -0.032 -7.318 14.154 1.00 0.19 H new ATOM 0 HE2 HIS A 16 0.599 -5.123 15.297 1.00 0.22 H new ATOM 245 N VAL A 17 -3.434 -4.717 12.777 1.00 0.20 N ATOM 246 CA VAL A 17 -4.294 -4.370 13.895 1.00 0.25 C ATOM 247 C VAL A 17 -3.710 -3.188 14.660 1.00 0.26 C ATOM 248 O VAL A 17 -2.503 -2.964 14.622 1.00 0.25 O ATOM 249 CB VAL A 17 -4.450 -5.582 14.821 1.00 0.29 C ATOM 250 CG1 VAL A 17 -3.086 -6.132 15.207 1.00 0.30 C ATOM 251 CG2 VAL A 17 -5.234 -5.261 16.066 1.00 0.36 C ATOM 0 H VAL A 17 -2.865 -5.549 12.933 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.276 -4.085 13.517 1.00 0.25 H new ATOM 0 HB VAL A 17 -5.009 -6.333 14.263 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -3.213 -6.992 15.864 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.550 -6.438 14.309 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.516 -5.361 15.725 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -5.314 -6.154 16.686 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -4.724 -4.476 16.625 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -6.232 -4.920 15.790 1.00 0.36 H new ATOM 261 N ASP A 18 -4.578 -2.414 15.314 1.00 0.31 N ATOM 262 CA ASP A 18 -4.177 -1.213 16.058 1.00 0.36 C ATOM 263 C ASP A 18 -3.822 -0.083 15.093 1.00 0.34 C ATOM 264 O ASP A 18 -3.834 1.092 15.459 1.00 0.41 O ATOM 265 CB ASP A 18 -3.020 -1.519 17.018 1.00 0.42 C ATOM 266 CG ASP A 18 -2.652 -0.339 17.903 1.00 0.55 C ATOM 267 OD1 ASP A 18 -1.840 0.502 17.478 1.00 0.59 O ATOM 268 OD2 ASP A 18 -3.155 -0.265 19.042 1.00 0.69 O ATOM 0 H ASP A 18 -5.580 -2.600 15.344 1.00 0.31 H new ATOM 0 HA ASP A 18 -5.021 -0.885 16.664 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -3.292 -2.366 17.647 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -2.146 -1.819 16.440 1.00 0.42 H new ATOM 273 N HIS A 19 -3.520 -0.444 13.850 1.00 0.29 N ATOM 274 CA HIS A 19 -3.381 0.536 12.788 1.00 0.32 C ATOM 275 C HIS A 19 -4.771 0.924 12.296 1.00 0.43 C ATOM 276 O HIS A 19 -4.935 1.835 11.498 1.00 0.63 O ATOM 277 CB HIS A 19 -2.538 0.003 11.622 1.00 0.29 C ATOM 278 CG HIS A 19 -1.167 -0.467 12.001 1.00 0.22 C ATOM 279 ND1 HIS A 19 -0.249 -0.816 11.043 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.611 -0.626 13.227 1.00 0.21 C ATOM 281 CE1 HIS A 19 0.838 -1.178 11.700 1.00 0.26 C ATOM 282 NE2 HIS A 19 0.664 -1.081 13.022 1.00 0.24 N ATOM 0 H HIS A 19 -3.368 -1.409 13.557 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.861 1.407 13.186 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -3.073 -0.823 11.153 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -2.443 0.788 10.872 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -1.082 -0.432 14.179 1.00 0.21 H new ATOM 0 HE1 HIS A 19 1.751 -1.510 11.229 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.351 -1.304 13.742 1.00 0.24 H new ATOM 290 N GLY A 20 -5.776 0.198 12.771 1.00 0.42 N ATOM 291 CA GLY A 20 -7.140 0.607 12.548 1.00 0.54 C ATOM 292 C GLY A 20 -7.998 -0.418 11.842 1.00 0.57 C ATOM 293 O GLY A 20 -8.486 -0.164 10.747 1.00 0.79 O ATOM 0 H GLY A 20 -5.666 -0.664 13.305 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -7.596 0.843 13.509 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -7.139 1.526 11.962 1.00 0.54 H new ATOM 297 N LYS A 21 -8.185 -1.582 12.454 1.00 0.61 N ATOM 298 CA LYS A 21 -9.181 -2.525 11.968 1.00 0.95 C ATOM 299 C LYS A 21 -10.589 -1.928 12.037 1.00 0.89 C ATOM 300 O LYS A 21 -11.164 -1.551 11.021 1.00 1.05 O ATOM 301 CB LYS A 21 -9.116 -3.818 12.769 1.00 1.36 C ATOM 302 CG LYS A 21 -7.884 -4.643 12.470 1.00 1.79 C ATOM 303 CD LYS A 21 -7.913 -5.152 11.040 1.00 2.30 C ATOM 304 CE LYS A 21 -6.641 -5.896 10.693 1.00 2.66 C ATOM 305 NZ LYS A 21 -6.747 -6.615 9.398 1.00 3.31 N ATOM 0 H LYS A 21 -7.667 -1.891 13.276 1.00 0.61 H new ATOM 0 HA LYS A 21 -8.959 -2.743 10.923 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -9.137 -3.580 13.833 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -10.004 -4.414 12.558 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -6.990 -4.041 12.629 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -7.828 -5.485 13.160 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -8.770 -5.811 10.904 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -8.044 -4.313 10.356 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -5.811 -5.191 10.648 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -6.412 -6.609 11.485 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -6.345 -7.569 9.497 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -7.747 -6.688 9.122 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -6.223 -6.093 8.667 1.00 3.31 H new ATOM 319 N THR A 22 -11.137 -1.835 13.240 1.00 0.84 N ATOM 320 CA THR A 22 -12.481 -1.307 13.417 1.00 0.87 C ATOM 321 C THR A 22 -12.477 0.219 13.382 1.00 0.79 C ATOM 322 O THR A 22 -13.410 0.839 12.875 1.00 0.79 O ATOM 323 CB THR A 22 -13.084 -1.781 14.750 1.00 1.02 C ATOM 324 OG1 THR A 22 -12.778 -3.168 14.950 1.00 1.21 O ATOM 325 CG2 THR A 22 -14.593 -1.583 14.767 1.00 1.18 C ATOM 0 H THR A 22 -10.674 -2.117 14.104 1.00 0.84 H new ATOM 0 HA THR A 22 -13.090 -1.681 12.594 1.00 0.87 H new ATOM 0 HB THR A 22 -12.650 -1.187 15.555 1.00 1.02 H new ATOM 0 HG1 THR A 22 -13.161 -3.468 15.800 1.00 1.21 H new ATOM 0 HG21 THR A 22 -14.994 -1.926 15.721 1.00 1.18 H new ATOM 0 HG22 THR A 22 -14.823 -0.526 14.636 1.00 1.18 H new ATOM 0 HG23 THR A 22 -15.044 -2.155 13.956 1.00 1.18 H new ATOM 333 N THR A 23 -11.409 0.813 13.904 1.00 0.75 N ATOM 334 CA THR A 23 -11.301 2.261 14.021 1.00 0.75 C ATOM 335 C THR A 23 -11.410 2.976 12.678 1.00 0.67 C ATOM 336 O THR A 23 -11.893 4.103 12.615 1.00 0.66 O ATOM 337 CB THR A 23 -9.980 2.652 14.697 1.00 0.82 C ATOM 338 OG1 THR A 23 -9.070 1.542 14.667 1.00 1.25 O ATOM 339 CG2 THR A 23 -10.210 3.088 16.135 1.00 1.17 C ATOM 0 H THR A 23 -10.597 0.306 14.256 1.00 0.75 H new ATOM 0 HA THR A 23 -12.144 2.580 14.634 1.00 0.75 H new ATOM 0 HB THR A 23 -9.552 3.491 14.148 1.00 0.82 H new ATOM 0 HG1 THR A 23 -8.273 1.758 15.194 1.00 1.25 H new ATOM 0 HG21 THR A 23 -9.257 3.359 16.590 1.00 1.17 H new ATOM 0 HG22 THR A 23 -10.878 3.949 16.152 1.00 1.17 H new ATOM 0 HG23 THR A 23 -10.660 2.269 16.696 1.00 1.17 H new ATOM 347 N LEU A 24 -10.980 2.330 11.603 1.00 0.65 N ATOM 348 CA LEU A 24 -11.018 2.948 10.292 1.00 0.63 C ATOM 349 C LEU A 24 -12.454 3.041 9.804 1.00 0.64 C ATOM 350 O LEU A 24 -12.923 4.116 9.440 1.00 0.65 O ATOM 351 CB LEU A 24 -10.195 2.130 9.325 1.00 0.67 C ATOM 352 CG LEU A 24 -9.440 2.915 8.241 1.00 0.84 C ATOM 353 CD1 LEU A 24 -10.403 3.666 7.331 1.00 1.49 C ATOM 354 CD2 LEU A 24 -8.449 3.884 8.880 1.00 1.30 C ATOM 0 H LEU A 24 -10.603 1.382 11.616 1.00 0.65 H new ATOM 0 HA LEU A 24 -10.603 3.954 10.355 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -9.469 1.552 9.897 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -10.855 1.416 8.833 1.00 0.67 H new ATOM 0 HG LEU A 24 -8.890 2.199 7.630 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -9.838 4.211 6.575 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -11.071 2.956 6.843 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -10.990 4.369 7.923 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -7.922 4.433 8.099 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -8.986 4.586 9.518 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -7.730 3.326 9.480 1.00 1.30 H new ATOM 366 N LEU A 25 -13.160 1.916 9.822 1.00 0.68 N ATOM 367 CA LEU A 25 -14.552 1.883 9.387 1.00 0.75 C ATOM 368 C LEU A 25 -15.449 2.605 10.379 1.00 0.74 C ATOM 369 O LEU A 25 -16.626 2.827 10.116 1.00 0.82 O ATOM 370 CB LEU A 25 -15.043 0.450 9.185 1.00 0.85 C ATOM 371 CG LEU A 25 -14.378 -0.308 8.035 1.00 0.92 C ATOM 372 CD1 LEU A 25 -15.191 -1.538 7.671 1.00 1.63 C ATOM 373 CD2 LEU A 25 -14.213 0.598 6.826 1.00 1.69 C ATOM 0 H LEU A 25 -12.793 1.016 10.132 1.00 0.68 H new ATOM 0 HA LEU A 25 -14.602 2.398 8.428 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -14.881 -0.107 10.108 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -16.119 0.472 9.011 1.00 0.85 H new ATOM 0 HG LEU A 25 -13.389 -0.631 8.360 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -14.704 -2.066 6.851 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -15.261 -2.197 8.536 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -16.192 -1.235 7.364 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -13.738 0.043 6.017 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -15.191 0.950 6.499 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -13.591 1.452 7.094 1.00 1.69 H new ATOM 385 N ASP A 26 -14.895 2.975 11.519 1.00 0.71 N ATOM 386 CA ASP A 26 -15.638 3.729 12.507 1.00 0.75 C ATOM 387 C ASP A 26 -15.464 5.195 12.210 1.00 0.70 C ATOM 388 O ASP A 26 -16.419 5.973 12.190 1.00 0.76 O ATOM 389 CB ASP A 26 -15.125 3.433 13.905 1.00 0.81 C ATOM 390 CG ASP A 26 -15.958 4.091 14.985 1.00 1.01 C ATOM 391 OD1 ASP A 26 -15.723 5.279 15.291 1.00 1.23 O ATOM 392 OD2 ASP A 26 -16.866 3.425 15.534 1.00 1.13 O ATOM 0 H ASP A 26 -13.932 2.765 11.782 1.00 0.71 H new ATOM 0 HA ASP A 26 -16.690 3.448 12.462 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -15.118 2.355 14.064 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -14.093 3.775 13.989 1.00 0.81 H new ATOM 397 N ALA A 27 -14.223 5.534 11.923 1.00 0.63 N ATOM 398 CA ALA A 27 -13.828 6.901 11.646 1.00 0.61 C ATOM 399 C ALA A 27 -14.359 7.350 10.292 1.00 0.58 C ATOM 400 O ALA A 27 -14.556 8.538 10.043 1.00 0.62 O ATOM 401 CB ALA A 27 -12.317 6.986 11.676 1.00 0.61 C ATOM 0 H ALA A 27 -13.455 4.864 11.875 1.00 0.63 H new ATOM 0 HA ALA A 27 -14.249 7.562 12.404 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -12.006 8.010 11.469 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -11.955 6.689 12.660 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -11.900 6.320 10.920 1.00 0.61 H new ATOM 407 N ILE A 28 -14.584 6.381 9.428 1.00 0.56 N ATOM 408 CA ILE A 28 -15.008 6.638 8.068 1.00 0.57 C ATOM 409 C ILE A 28 -16.519 6.884 7.999 1.00 0.64 C ATOM 410 O ILE A 28 -17.000 7.621 7.136 1.00 0.71 O ATOM 411 CB ILE A 28 -14.594 5.454 7.162 1.00 0.61 C ATOM 412 CG1 ILE A 28 -14.444 5.891 5.710 1.00 0.84 C ATOM 413 CG2 ILE A 28 -15.585 4.303 7.266 1.00 1.02 C ATOM 414 CD1 ILE A 28 -13.706 4.865 4.877 1.00 0.85 C ATOM 0 H ILE A 28 -14.478 5.391 9.650 1.00 0.56 H new ATOM 0 HA ILE A 28 -14.516 7.543 7.711 1.00 0.57 H new ATOM 0 HB ILE A 28 -13.624 5.104 7.516 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -15.431 6.063 5.280 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -13.910 6.840 5.671 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -15.265 3.488 6.617 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -15.627 3.951 8.297 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -16.573 4.645 6.958 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -13.624 5.221 3.850 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -12.708 4.711 5.289 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -14.253 3.923 4.892 1.00 0.85 H new ATOM 1221 N ILE A 81 -10.087 -3.266 -6.017 1.00 0.63 N ATOM 1222 CA ILE A 81 -8.889 -2.722 -5.406 1.00 0.42 C ATOM 1223 C ILE A 81 -8.876 -2.977 -3.902 1.00 0.38 C ATOM 1224 O ILE A 81 -9.916 -2.916 -3.247 1.00 0.57 O ATOM 1225 CB ILE A 81 -8.807 -1.205 -5.671 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -8.885 -0.923 -7.175 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -7.533 -0.619 -5.085 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -8.885 0.551 -7.519 1.00 0.71 C ATOM 0 HA ILE A 81 -8.027 -3.220 -5.849 1.00 0.42 H new ATOM 0 HB ILE A 81 -9.655 -0.727 -5.181 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -8.040 -1.402 -7.670 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -9.790 -1.380 -7.575 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -7.499 0.452 -5.285 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -7.517 -0.787 -4.008 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -6.668 -1.101 -5.540 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -8.942 0.672 -8.601 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -9.745 1.033 -7.054 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -7.968 1.011 -7.150 1.00 0.71 H new ATOM 1240 N VAL A 82 -7.705 -3.264 -3.352 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.591 -3.484 -1.916 1.00 0.28 C ATOM 1242 C VAL A 82 -6.801 -2.365 -1.261 1.00 0.23 C ATOM 1243 O VAL A 82 -5.775 -1.925 -1.768 1.00 0.26 O ATOM 1244 CB VAL A 82 -6.915 -4.828 -1.581 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -5.579 -4.911 -2.264 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -6.747 -4.987 -0.072 1.00 1.17 C ATOM 0 H VAL A 82 -6.830 -3.349 -3.870 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.609 -3.502 -1.527 1.00 0.28 H new ATOM 0 HB VAL A 82 -7.551 -5.637 -1.940 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -5.106 -5.863 -2.023 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -5.717 -4.836 -3.343 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -4.944 -4.094 -1.922 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -6.268 -5.942 0.142 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -6.128 -4.176 0.313 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -7.725 -4.956 0.408 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.301 -1.909 -0.143 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.609 -0.953 0.683 1.00 0.19 C ATOM 1258 C ILE A 83 -5.759 -1.679 1.689 1.00 0.19 C ATOM 1259 O ILE A 83 -6.142 -2.722 2.200 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.590 -0.012 1.412 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.203 0.924 0.392 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -6.901 0.773 2.533 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -8.999 2.061 0.998 1.00 0.37 C ATOM 0 H ILE A 83 -8.209 -2.193 0.224 1.00 0.22 H new ATOM 0 HA ILE A 83 -5.981 -0.342 0.035 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.369 -0.608 1.887 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.408 1.340 -0.227 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -8.854 0.350 -0.268 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -7.627 1.424 3.021 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.488 0.077 3.264 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.097 1.377 2.113 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.405 2.686 0.202 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -9.817 1.656 1.594 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -8.349 2.661 1.635 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.604 -1.141 1.960 1.00 0.19 N ATOM 1276 CA LEU A 84 -3.744 -1.710 2.952 1.00 0.23 C ATOM 1277 C LEU A 84 -3.356 -0.608 3.941 1.00 0.24 C ATOM 1278 O LEU A 84 -2.617 0.313 3.598 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.532 -2.365 2.263 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.437 -2.931 3.173 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -0.520 -1.822 3.620 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -2.028 -3.660 4.372 1.00 1.01 C ATOM 0 H LEU A 84 -4.237 -0.305 1.504 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.244 -2.498 3.515 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -2.898 -3.173 1.630 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -2.076 -1.626 1.604 1.00 0.39 H new ATOM 0 HG LEU A 84 -0.862 -3.660 2.603 1.00 0.31 H new ATOM 0 HD11 LEU A 84 0.257 -2.230 4.267 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -0.059 -1.357 2.748 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -1.093 -1.075 4.169 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -1.222 -4.048 4.995 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -2.636 -2.968 4.955 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -2.649 -4.486 4.026 1.00 1.01 H new ATOM 1294 N VAL A 85 -3.897 -0.684 5.143 1.00 0.21 N ATOM 1295 CA VAL A 85 -3.647 0.319 6.162 1.00 0.27 C ATOM 1296 C VAL A 85 -2.432 -0.042 7.003 1.00 0.25 C ATOM 1297 O VAL A 85 -2.415 -1.065 7.690 1.00 0.29 O ATOM 1298 CB VAL A 85 -4.876 0.478 7.076 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -4.581 1.439 8.208 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.077 0.949 6.277 1.00 0.40 C ATOM 0 H VAL A 85 -4.518 -1.437 5.439 1.00 0.21 H new ATOM 0 HA VAL A 85 -3.451 1.263 5.654 1.00 0.27 H new ATOM 0 HB VAL A 85 -5.109 -0.496 7.507 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -5.463 1.537 8.841 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -3.749 1.059 8.800 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -4.319 2.414 7.798 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -6.936 1.056 6.940 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -5.853 1.911 5.816 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.306 0.219 5.501 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.410 0.793 6.920 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.233 0.650 7.749 1.00 0.20 C ATOM 1312 C VAL A 86 0.028 1.916 8.547 1.00 0.17 C ATOM 1313 O VAL A 86 0.102 3.013 7.992 1.00 0.22 O ATOM 1314 CB VAL A 86 1.017 0.323 6.911 1.00 0.23 C ATOM 1315 CG1 VAL A 86 1.073 -1.157 6.587 1.00 0.49 C ATOM 1316 CG2 VAL A 86 1.050 1.155 5.636 1.00 0.64 C ATOM 0 H VAL A 86 -1.376 1.585 6.278 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.429 -0.178 8.430 1.00 0.20 H new ATOM 0 HB VAL A 86 1.896 0.577 7.503 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.964 -1.366 5.995 1.00 0.49 H new ATOM 0 HG12 VAL A 86 1.110 -1.731 7.513 1.00 0.49 H new ATOM 0 HG13 VAL A 86 0.186 -1.439 6.020 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.942 0.906 5.062 1.00 0.64 H new ATOM 0 HG22 VAL A 86 0.163 0.942 5.039 1.00 0.64 H new ATOM 0 HG23 VAL A 86 1.068 2.214 5.893 1.00 0.64 H new ATOM 1326 N ALA A 87 0.142 1.765 9.852 1.00 0.17 N ATOM 1327 CA ALA A 87 0.504 2.875 10.716 1.00 0.18 C ATOM 1328 C ALA A 87 1.924 3.322 10.415 1.00 0.16 C ATOM 1329 O ALA A 87 2.826 2.495 10.336 1.00 0.24 O ATOM 1330 CB ALA A 87 0.380 2.453 12.168 1.00 0.28 C ATOM 0 H ALA A 87 -0.011 0.882 10.340 1.00 0.17 H new ATOM 0 HA ALA A 87 -0.171 3.711 10.533 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.652 3.288 12.814 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -0.648 2.155 12.374 1.00 0.28 H new ATOM 0 HB3 ALA A 87 1.047 1.613 12.361 1.00 0.28 H new ATOM 1336 N ALA A 88 2.134 4.622 10.253 1.00 0.12 N ATOM 1337 CA ALA A 88 3.446 5.130 9.869 1.00 0.14 C ATOM 1338 C ALA A 88 4.419 5.048 11.018 1.00 0.16 C ATOM 1339 O ALA A 88 5.620 5.244 10.846 1.00 0.22 O ATOM 1340 CB ALA A 88 3.354 6.569 9.403 1.00 0.17 C ATOM 0 H ALA A 88 1.420 5.339 10.380 1.00 0.12 H new ATOM 0 HA ALA A 88 3.805 4.506 9.050 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.345 6.925 9.122 1.00 0.17 H new ATOM 0 HB2 ALA A 88 2.689 6.631 8.542 1.00 0.17 H new ATOM 0 HB3 ALA A 88 2.961 7.188 10.210 1.00 0.17 H new ATOM 1346 N ASP A 89 3.896 4.793 12.191 1.00 0.16 N ATOM 1347 CA ASP A 89 4.745 4.678 13.367 1.00 0.21 C ATOM 1348 C ASP A 89 4.948 3.219 13.775 1.00 0.22 C ATOM 1349 O ASP A 89 5.496 2.936 14.843 1.00 0.37 O ATOM 1350 CB ASP A 89 4.153 5.475 14.526 1.00 0.30 C ATOM 1351 CG ASP A 89 2.994 4.766 15.190 1.00 0.39 C ATOM 1352 OD1 ASP A 89 2.134 4.229 14.470 1.00 0.47 O ATOM 1353 OD2 ASP A 89 2.932 4.759 16.440 1.00 0.58 O ATOM 0 H ASP A 89 2.900 4.661 12.364 1.00 0.16 H new ATOM 0 HA ASP A 89 5.722 5.089 13.113 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.930 5.664 15.266 1.00 0.30 H new ATOM 0 HB3 ASP A 89 3.818 6.446 14.161 1.00 0.30 H new ATOM 1358 N ASP A 90 4.522 2.293 12.922 1.00 0.19 N ATOM 1359 CA ASP A 90 4.640 0.867 13.230 1.00 0.23 C ATOM 1360 C ASP A 90 4.971 0.058 11.973 1.00 0.25 C ATOM 1361 O ASP A 90 5.783 -0.865 12.019 1.00 0.42 O ATOM 1362 CB ASP A 90 3.352 0.362 13.878 1.00 0.26 C ATOM 1363 CG ASP A 90 3.548 -0.928 14.650 1.00 0.36 C ATOM 1364 OD1 ASP A 90 4.484 -0.999 15.467 1.00 0.56 O ATOM 1365 OD2 ASP A 90 2.792 -1.898 14.408 1.00 0.46 O ATOM 0 H ASP A 90 4.095 2.499 12.019 1.00 0.19 H new ATOM 0 HA ASP A 90 5.461 0.733 13.935 1.00 0.23 H new ATOM 0 HB2 ASP A 90 2.965 1.127 14.551 1.00 0.26 H new ATOM 0 HB3 ASP A 90 2.599 0.207 13.105 1.00 0.26 H new ATOM 1370 N GLY A 91 4.345 0.417 10.856 1.00 0.20 N ATOM 1371 CA GLY A 91 4.708 -0.153 9.568 1.00 0.21 C ATOM 1372 C GLY A 91 4.064 -1.496 9.284 1.00 0.22 C ATOM 1373 O GLY A 91 2.910 -1.728 9.632 1.00 0.37 O ATOM 0 H GLY A 91 3.587 1.098 10.819 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.427 0.547 8.781 1.00 0.21 H new ATOM 0 HA3 GLY A 91 5.791 -0.265 9.524 1.00 0.21 H new ATOM 1377 N VAL A 92 4.810 -2.373 8.633 1.00 0.26 N ATOM 1378 CA VAL A 92 4.312 -3.684 8.247 1.00 0.26 C ATOM 1379 C VAL A 92 4.628 -4.719 9.307 1.00 0.24 C ATOM 1380 O VAL A 92 5.771 -4.871 9.746 1.00 0.28 O ATOM 1381 CB VAL A 92 4.893 -4.121 6.889 1.00 0.32 C ATOM 1382 CG1 VAL A 92 4.662 -5.603 6.632 1.00 0.96 C ATOM 1383 CG2 VAL A 92 4.271 -3.295 5.786 1.00 1.03 C ATOM 0 H VAL A 92 5.776 -2.197 8.357 1.00 0.26 H new ATOM 0 HA VAL A 92 3.229 -3.607 8.150 1.00 0.26 H new ATOM 0 HB VAL A 92 5.970 -3.956 6.908 1.00 0.32 H new ATOM 0 HG11 VAL A 92 5.085 -5.875 5.665 1.00 0.96 H new ATOM 0 HG12 VAL A 92 5.143 -6.188 7.416 1.00 0.96 H new ATOM 0 HG13 VAL A 92 3.592 -5.810 6.631 1.00 0.96 H new ATOM 0 HG21 VAL A 92 4.682 -3.604 4.825 1.00 1.03 H new ATOM 0 HG22 VAL A 92 3.191 -3.444 5.784 1.00 1.03 H new ATOM 0 HG23 VAL A 92 4.491 -2.241 5.953 1.00 1.03 H new ATOM 1393 N MET A 93 3.596 -5.428 9.691 1.00 0.22 N ATOM 1394 CA MET A 93 3.655 -6.388 10.772 1.00 0.22 C ATOM 1395 C MET A 93 3.152 -7.744 10.262 1.00 0.22 C ATOM 1396 O MET A 93 2.750 -7.841 9.100 1.00 0.23 O ATOM 1397 CB MET A 93 2.797 -5.857 11.920 1.00 0.21 C ATOM 1398 CG MET A 93 3.181 -4.448 12.340 1.00 0.23 C ATOM 1399 SD MET A 93 4.675 -4.415 13.336 1.00 0.28 S ATOM 1400 CE MET A 93 4.010 -5.060 14.861 1.00 0.27 C ATOM 0 H MET A 93 2.676 -5.355 9.257 1.00 0.22 H new ATOM 0 HA MET A 93 4.674 -6.527 11.132 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.749 -5.869 11.620 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.891 -6.525 12.776 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.326 -3.834 11.451 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.361 -4.004 12.904 1.00 0.23 H new ATOM 0 HE1 MET A 93 4.564 -4.646 15.703 1.00 0.27 H new ATOM 0 HE2 MET A 93 2.959 -4.782 14.946 1.00 0.27 H new ATOM 0 HE3 MET A 93 4.099 -6.146 14.866 1.00 0.27 H new ATOM 1410 N PRO A 94 3.164 -8.807 11.096 1.00 0.25 N ATOM 1411 CA PRO A 94 2.754 -10.155 10.666 1.00 0.30 C ATOM 1412 C PRO A 94 1.416 -10.194 9.925 1.00 0.28 C ATOM 1413 O PRO A 94 1.365 -10.631 8.774 1.00 0.31 O ATOM 1414 CB PRO A 94 2.667 -10.935 11.977 1.00 0.37 C ATOM 1415 CG PRO A 94 3.638 -10.258 12.879 1.00 0.58 C ATOM 1416 CD PRO A 94 3.597 -8.801 12.511 1.00 0.30 C ATOM 0 HA PRO A 94 3.461 -10.565 9.945 1.00 0.30 H new ATOM 0 HB2 PRO A 94 1.658 -10.908 12.388 1.00 0.37 H new ATOM 0 HB3 PRO A 94 2.925 -11.984 11.832 1.00 0.37 H new ATOM 0 HG2 PRO A 94 3.367 -10.404 13.925 1.00 0.58 H new ATOM 0 HG3 PRO A 94 4.641 -10.665 12.749 1.00 0.58 H new ATOM 0 HD2 PRO A 94 2.899 -8.249 13.141 1.00 0.30 H new ATOM 0 HD3 PRO A 94 4.573 -8.331 12.629 1.00 0.30 H new ATOM 1424 N GLN A 95 0.334 -9.723 10.548 1.00 0.29 N ATOM 1425 CA GLN A 95 -0.976 -9.841 9.930 1.00 0.32 C ATOM 1426 C GLN A 95 -1.143 -8.813 8.814 1.00 0.31 C ATOM 1427 O GLN A 95 -2.068 -8.894 8.002 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.096 -9.716 10.967 1.00 0.37 C ATOM 1429 CG GLN A 95 -2.601 -8.304 11.205 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.027 -8.289 11.737 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -4.978 -8.312 10.960 1.00 0.75 O ATOM 1432 NE2 GLN A 95 -4.194 -8.220 13.052 1.00 0.34 N ATOM 0 H GLN A 95 0.342 -9.267 11.460 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.048 -10.835 9.489 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -2.934 -10.336 10.650 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -1.740 -10.122 11.914 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -1.945 -7.799 11.914 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -2.556 -7.741 10.273 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -3.382 -8.203 13.669 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -5.134 -8.184 13.445 1.00 0.34 H new ATOM 1441 N THR A 96 -0.227 -7.859 8.770 1.00 0.26 N ATOM 1442 CA THR A 96 -0.235 -6.830 7.747 1.00 0.25 C ATOM 1443 C THR A 96 0.143 -7.436 6.406 1.00 0.25 C ATOM 1444 O THR A 96 -0.555 -7.260 5.406 1.00 0.31 O ATOM 1445 CB THR A 96 0.749 -5.707 8.083 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.916 -5.641 9.497 1.00 0.24 O ATOM 1447 CG2 THR A 96 0.237 -4.371 7.582 1.00 0.28 C ATOM 0 H THR A 96 0.538 -7.777 9.439 1.00 0.26 H new ATOM 0 HA THR A 96 -1.240 -6.411 7.700 1.00 0.25 H new ATOM 0 HB THR A 96 1.700 -5.921 7.596 1.00 0.25 H new ATOM 0 HG1 THR A 96 0.096 -5.947 9.938 1.00 0.24 H new ATOM 0 HG21 THR A 96 0.954 -3.589 7.833 1.00 0.28 H new ATOM 0 HG22 THR A 96 0.109 -4.413 6.500 1.00 0.28 H new ATOM 0 HG23 THR A 96 -0.721 -4.149 8.052 1.00 0.28 H new ATOM 1455 N VAL A 97 1.242 -8.177 6.392 1.00 0.25 N ATOM 1456 CA VAL A 97 1.702 -8.785 5.180 1.00 0.31 C ATOM 1457 C VAL A 97 0.863 -9.999 4.771 1.00 0.23 C ATOM 1458 O VAL A 97 0.826 -10.351 3.604 1.00 0.24 O ATOM 1459 CB VAL A 97 3.202 -9.129 5.255 1.00 0.48 C ATOM 1460 CG1 VAL A 97 3.595 -9.693 6.605 1.00 1.02 C ATOM 1461 CG2 VAL A 97 3.588 -10.094 4.156 1.00 1.38 C ATOM 0 H VAL A 97 1.821 -8.363 7.211 1.00 0.25 H new ATOM 0 HA VAL A 97 1.571 -8.043 4.392 1.00 0.31 H new ATOM 0 HB VAL A 97 3.747 -8.195 5.117 1.00 0.48 H new ATOM 0 HG11 VAL A 97 4.661 -9.920 6.608 1.00 1.02 H new ATOM 0 HG12 VAL A 97 3.377 -8.961 7.383 1.00 1.02 H new ATOM 0 HG13 VAL A 97 3.030 -10.605 6.797 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.651 -10.322 4.229 1.00 1.38 H new ATOM 0 HG22 VAL A 97 3.012 -11.013 4.260 1.00 1.38 H new ATOM 0 HG23 VAL A 97 3.380 -9.643 3.186 1.00 1.38 H new ATOM 1471 N GLU A 98 0.156 -10.618 5.701 1.00 0.24 N ATOM 1472 CA GLU A 98 -0.784 -11.672 5.319 1.00 0.29 C ATOM 1473 C GLU A 98 -1.898 -11.066 4.466 1.00 0.31 C ATOM 1474 O GLU A 98 -2.453 -11.715 3.581 1.00 0.37 O ATOM 1475 CB GLU A 98 -1.363 -12.363 6.551 1.00 0.39 C ATOM 1476 CG GLU A 98 -0.305 -12.980 7.444 1.00 0.92 C ATOM 1477 CD GLU A 98 -0.892 -13.828 8.552 1.00 1.64 C ATOM 1478 OE1 GLU A 98 -1.402 -13.261 9.540 1.00 2.35 O ATOM 1479 OE2 GLU A 98 -0.835 -15.071 8.442 1.00 1.97 O ATOM 0 H GLU A 98 0.207 -10.421 6.700 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.254 -12.428 4.739 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -1.939 -11.639 7.128 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -2.057 -13.140 6.231 1.00 0.39 H new ATOM 0 HG2 GLU A 98 0.362 -13.593 6.838 1.00 0.92 H new ATOM 0 HG3 GLU A 98 0.301 -12.187 7.882 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.192 -9.797 4.725 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.121 -9.040 3.902 1.00 0.35 C ATOM 1488 C ALA A 99 -2.454 -8.623 2.592 1.00 0.34 C ATOM 1489 O ALA A 99 -3.127 -8.286 1.624 1.00 0.44 O ATOM 1490 CB ALA A 99 -3.623 -7.825 4.662 1.00 0.39 C ATOM 0 H ALA A 99 -1.796 -9.270 5.504 1.00 0.31 H new ATOM 0 HA ALA A 99 -3.975 -9.673 3.662 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.318 -7.266 4.036 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -4.132 -8.149 5.570 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -2.780 -7.187 4.927 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.125 -8.634 2.568 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.385 -8.426 1.341 1.00 0.29 C ATOM 1498 C ILE A 100 -0.366 -9.716 0.530 1.00 0.29 C ATOM 1499 O ILE A 100 -0.618 -9.717 -0.673 1.00 0.34 O ATOM 1500 CB ILE A 100 1.061 -8.011 1.643 1.00 0.32 C ATOM 1501 CG1 ILE A 100 1.083 -6.647 2.344 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.864 -7.990 0.358 1.00 0.36 C ATOM 1503 CD1 ILE A 100 2.441 -6.263 2.886 1.00 0.41 C ATOM 0 H ILE A 100 -0.542 -8.786 3.391 1.00 0.28 H new ATOM 0 HA ILE A 100 -0.874 -7.632 0.776 1.00 0.29 H new ATOM 0 HB ILE A 100 1.517 -8.736 2.317 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.753 -5.882 1.641 1.00 0.35 H new ATOM 0 HG13 ILE A 100 0.365 -6.658 3.164 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.891 -7.695 0.575 1.00 0.36 H new ATOM 0 HG22 ILE A 100 1.859 -8.984 -0.090 1.00 0.36 H new ATOM 0 HG23 ILE A 100 1.421 -7.276 -0.336 1.00 0.36 H new ATOM 0 HD11 ILE A 100 2.378 -5.287 3.367 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.766 -7.006 3.614 1.00 0.41 H new ATOM 0 HD13 ILE A 100 3.160 -6.218 2.068 1.00 0.41 H new ATOM 1515 N ASN A 101 -0.061 -10.802 1.225 1.00 0.29 N ATOM 1516 CA ASN A 101 -0.060 -12.141 0.663 1.00 0.34 C ATOM 1517 C ASN A 101 -1.381 -12.416 -0.038 1.00 0.36 C ATOM 1518 O ASN A 101 -1.403 -12.908 -1.163 1.00 0.43 O ATOM 1519 CB ASN A 101 0.196 -13.157 1.783 1.00 0.44 C ATOM 1520 CG ASN A 101 1.638 -13.170 2.239 1.00 0.53 C ATOM 1521 OD1 ASN A 101 2.546 -12.795 1.496 1.00 0.67 O ATOM 1522 ND2 ASN A 101 1.860 -13.631 3.454 1.00 0.64 N ATOM 0 H ASN A 101 0.197 -10.775 2.212 1.00 0.29 H new ATOM 0 HA ASN A 101 0.734 -12.230 -0.079 1.00 0.34 H new ATOM 0 HB2 ASN A 101 -0.447 -12.926 2.632 1.00 0.44 H new ATOM 0 HB3 ASN A 101 -0.080 -14.152 1.435 1.00 0.44 H new ATOM 0 HD21 ASN A 101 2.814 -13.687 3.812 1.00 0.64 H new ATOM 0 HD22 ASN A 101 1.078 -13.931 4.036 1.00 0.64 H new ATOM 1529 N HIS A 102 -2.473 -12.055 0.627 1.00 0.35 N ATOM 1530 CA HIS A 102 -3.806 -12.086 0.047 1.00 0.43 C ATOM 1531 C HIS A 102 -3.827 -11.398 -1.322 1.00 0.37 C ATOM 1532 O HIS A 102 -4.381 -11.920 -2.291 1.00 0.41 O ATOM 1533 CB HIS A 102 -4.773 -11.388 1.034 1.00 0.61 C ATOM 1534 CG HIS A 102 -5.607 -10.310 0.432 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -5.449 -8.972 0.699 1.00 2.07 N ATOM 1536 CD2 HIS A 102 -6.575 -10.395 -0.469 1.00 1.10 C ATOM 1537 CE1 HIS A 102 -6.299 -8.279 -0.027 1.00 2.50 C ATOM 1538 NE2 HIS A 102 -7.001 -9.121 -0.751 1.00 1.91 N ATOM 0 H HIS A 102 -2.455 -11.730 1.594 1.00 0.35 H new ATOM 0 HA HIS A 102 -4.118 -13.118 -0.113 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -5.433 -12.140 1.468 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -4.191 -10.964 1.853 1.00 0.61 H new ATOM 0 HD1 HIS A 102 -4.777 -8.577 1.357 1.00 2.07 H new ATOM 0 HD2 HIS A 102 -6.960 -11.305 -0.904 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -6.402 -7.204 -0.028 1.00 2.50 H new ATOM 1547 N ALA A 103 -3.222 -10.227 -1.391 1.00 0.37 N ATOM 1548 CA ALA A 103 -3.362 -9.377 -2.554 1.00 0.41 C ATOM 1549 C ALA A 103 -2.480 -9.847 -3.702 1.00 0.40 C ATOM 1550 O ALA A 103 -2.884 -9.793 -4.854 1.00 0.44 O ATOM 1551 CB ALA A 103 -3.043 -7.936 -2.200 1.00 0.47 C ATOM 0 H ALA A 103 -2.629 -9.844 -0.654 1.00 0.37 H new ATOM 0 HA ALA A 103 -4.399 -9.439 -2.885 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -3.153 -7.311 -3.086 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -3.728 -7.591 -1.425 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -2.018 -7.869 -1.834 1.00 0.47 H new ATOM 1557 N LYS A 104 -1.273 -10.299 -3.389 1.00 0.41 N ATOM 1558 CA LYS A 104 -0.357 -10.803 -4.407 1.00 0.49 C ATOM 1559 C LYS A 104 -0.808 -12.161 -4.886 1.00 0.54 C ATOM 1560 O LYS A 104 -0.559 -12.560 -6.026 1.00 0.66 O ATOM 1561 CB LYS A 104 1.043 -10.886 -3.837 1.00 0.61 C ATOM 1562 CG LYS A 104 1.523 -9.555 -3.330 1.00 0.70 C ATOM 1563 CD LYS A 104 1.530 -8.523 -4.450 1.00 0.84 C ATOM 1564 CE LYS A 104 2.142 -7.205 -4.020 1.00 0.99 C ATOM 1565 NZ LYS A 104 2.089 -6.195 -5.113 1.00 1.66 N ATOM 0 H LYS A 104 -0.904 -10.328 -2.438 1.00 0.41 H new ATOM 0 HA LYS A 104 -0.355 -10.119 -5.256 1.00 0.49 H new ATOM 0 HB2 LYS A 104 1.061 -11.612 -3.024 1.00 0.61 H new ATOM 0 HB3 LYS A 104 1.726 -11.250 -4.604 1.00 0.61 H new ATOM 0 HG2 LYS A 104 0.878 -9.215 -2.520 1.00 0.70 H new ATOM 0 HG3 LYS A 104 2.527 -9.658 -2.917 1.00 0.70 H new ATOM 0 HD2 LYS A 104 2.086 -8.918 -5.300 1.00 0.84 H new ATOM 0 HD3 LYS A 104 0.508 -8.352 -4.789 1.00 0.84 H new ATOM 0 HE2 LYS A 104 1.613 -6.825 -3.146 1.00 0.99 H new ATOM 0 HE3 LYS A 104 3.178 -7.364 -3.721 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 2.886 -5.534 -5.014 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 2.151 -6.676 -6.033 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 1.194 -5.669 -5.057 1.00 1.66 H new ATOM 1579 N ALA A 105 -1.453 -12.866 -3.982 1.00 0.51 N ATOM 1580 CA ALA A 105 -2.105 -14.132 -4.319 1.00 0.61 C ATOM 1581 C ALA A 105 -3.082 -13.946 -5.480 1.00 0.62 C ATOM 1582 O ALA A 105 -3.185 -14.801 -6.360 1.00 0.77 O ATOM 1583 CB ALA A 105 -2.826 -14.719 -3.115 1.00 0.65 C ATOM 0 H ALA A 105 -1.545 -12.591 -3.004 1.00 0.51 H new ATOM 0 HA ALA A 105 -1.327 -14.832 -4.625 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -3.300 -15.659 -3.398 1.00 0.65 H new ATOM 0 HB2 ALA A 105 -2.109 -14.901 -2.314 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -3.586 -14.019 -2.769 1.00 0.65 H new ATOM 1589 N ALA A 106 -3.800 -12.829 -5.476 1.00 0.54 N ATOM 1590 CA ALA A 106 -4.712 -12.509 -6.574 1.00 0.64 C ATOM 1591 C ALA A 106 -4.017 -11.687 -7.662 1.00 0.64 C ATOM 1592 O ALA A 106 -4.355 -11.791 -8.842 1.00 0.74 O ATOM 1593 CB ALA A 106 -5.937 -11.770 -6.056 1.00 0.68 C ATOM 0 H ALA A 106 -3.771 -12.132 -4.732 1.00 0.54 H new ATOM 0 HA ALA A 106 -5.031 -13.451 -7.020 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -6.603 -11.541 -6.888 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -6.461 -12.396 -5.334 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -5.626 -10.843 -5.575 1.00 0.68 H new ATOM 1599 N ASN A 107 -3.066 -10.855 -7.226 1.00 0.59 N ATOM 1600 CA ASN A 107 -2.224 -10.023 -8.096 1.00 0.65 C ATOM 1601 C ASN A 107 -2.985 -8.766 -8.469 1.00 0.60 C ATOM 1602 O ASN A 107 -3.112 -8.396 -9.635 1.00 0.85 O ATOM 1603 CB ASN A 107 -1.728 -10.767 -9.331 1.00 0.85 C ATOM 1604 CG ASN A 107 -0.631 -10.021 -10.058 1.00 1.04 C ATOM 1605 OD1 ASN A 107 0.083 -9.197 -9.475 1.00 1.17 O ATOM 1606 ND2 ASN A 107 -0.462 -10.331 -11.326 1.00 1.41 N ATOM 0 H ASN A 107 -2.854 -10.737 -6.235 1.00 0.59 H new ATOM 0 HA ASN A 107 -1.326 -9.753 -7.540 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -1.360 -11.749 -9.035 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -2.563 -10.931 -10.012 1.00 0.85 H new ATOM 0 HD21 ASN A 107 0.280 -9.886 -11.865 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -1.073 -11.017 -11.769 1.00 1.41 H new ATOM 1613 N VAL A 108 -3.479 -8.114 -7.433 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.334 -6.957 -7.558 1.00 0.42 C ATOM 1615 C VAL A 108 -3.607 -5.684 -7.123 1.00 0.37 C ATOM 1616 O VAL A 108 -2.779 -5.718 -6.206 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.598 -7.157 -6.692 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -5.263 -7.818 -5.366 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.276 -5.839 -6.437 1.00 1.35 C ATOM 0 H VAL A 108 -3.292 -8.381 -6.467 1.00 0.44 H new ATOM 0 HA VAL A 108 -4.615 -6.847 -8.605 1.00 0.42 H new ATOM 0 HB VAL A 108 -6.272 -7.811 -7.245 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -6.174 -7.944 -4.782 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -4.812 -8.793 -5.549 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -4.562 -7.192 -4.814 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -7.164 -5.999 -5.826 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -5.590 -5.172 -5.914 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -6.565 -5.389 -7.387 1.00 1.35 H new ATOM 1629 N PRO A 109 -3.876 -4.550 -7.802 1.00 0.35 N ATOM 1630 CA PRO A 109 -3.366 -3.239 -7.390 1.00 0.33 C ATOM 1631 C PRO A 109 -3.900 -2.810 -6.024 1.00 0.28 C ATOM 1632 O PRO A 109 -5.055 -3.086 -5.666 1.00 0.29 O ATOM 1633 CB PRO A 109 -3.861 -2.281 -8.476 1.00 0.37 C ATOM 1634 CG PRO A 109 -4.237 -3.150 -9.629 1.00 0.47 C ATOM 1635 CD PRO A 109 -4.667 -4.463 -9.041 1.00 0.40 C ATOM 0 HA PRO A 109 -2.281 -3.252 -7.287 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -4.714 -1.699 -8.128 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -3.084 -1.570 -8.757 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -5.043 -2.700 -10.209 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -3.394 -3.284 -10.307 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -5.738 -4.482 -8.838 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -4.455 -5.294 -9.713 1.00 0.40 H new ATOM 1643 N ILE A 110 -3.063 -2.117 -5.265 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.418 -1.780 -3.901 1.00 0.21 C ATOM 1645 C ILE A 110 -3.625 -0.275 -3.721 1.00 0.19 C ATOM 1646 O ILE A 110 -3.202 0.542 -4.539 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.333 -2.304 -2.923 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -2.305 -3.833 -2.951 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.522 -1.789 -1.500 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -2.176 -4.466 -1.582 1.00 0.60 C ATOM 0 H ILE A 110 -2.148 -1.783 -5.568 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.367 -2.265 -3.674 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.372 -1.917 -3.263 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -3.218 -4.195 -3.424 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -1.472 -4.161 -3.573 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.734 -2.188 -0.861 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.474 -0.700 -1.498 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.493 -2.110 -1.123 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -2.163 -5.551 -1.683 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -1.250 -4.134 -1.113 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -3.022 -4.169 -0.963 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.303 0.047 -2.640 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.465 1.406 -2.158 1.00 0.18 C ATOM 1664 C ILE A 111 -3.968 1.429 -0.725 1.00 0.16 C ATOM 1665 O ILE A 111 -4.736 1.262 0.220 1.00 0.18 O ATOM 1666 CB ILE A 111 -5.936 1.898 -2.197 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.422 2.068 -3.634 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.087 3.222 -1.449 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -5.810 3.255 -4.335 1.00 0.37 C ATOM 0 H ILE A 111 -4.770 -0.646 -2.055 1.00 0.18 H new ATOM 0 HA ILE A 111 -3.902 2.075 -2.808 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.546 1.139 -1.707 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -6.192 1.164 -4.197 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.507 2.175 -3.633 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.127 3.547 -1.490 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -5.790 3.088 -0.409 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.453 3.977 -1.914 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -6.198 3.317 -5.352 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -6.062 4.167 -3.794 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.727 3.140 -4.367 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.671 1.547 -0.557 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.116 1.611 0.763 1.00 0.18 C ATOM 1683 C VAL A 112 -2.494 2.916 1.389 1.00 0.20 C ATOM 1684 O VAL A 112 -2.639 3.932 0.717 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.594 1.470 0.767 1.00 0.19 C ATOM 1686 CG1 VAL A 112 -0.054 1.506 2.167 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.190 0.182 0.108 1.00 0.19 C ATOM 0 H VAL A 112 -1.990 1.600 -1.315 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.521 0.774 1.332 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.178 2.310 0.210 1.00 0.19 H new ATOM 0 HG11 VAL A 112 1.031 1.404 2.141 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.318 2.455 2.635 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.482 0.686 2.743 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.896 0.094 0.117 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.627 -0.657 0.650 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.546 0.173 -0.922 1.00 0.19 H new ATOM 1697 N ALA A 113 -2.656 2.872 2.668 1.00 0.21 N ATOM 1698 CA ALA A 113 -3.071 4.024 3.410 1.00 0.24 C ATOM 1699 C ALA A 113 -2.407 4.038 4.760 1.00 0.25 C ATOM 1700 O ALA A 113 -2.746 3.265 5.656 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.581 4.061 3.515 1.00 0.29 C ATOM 0 H ALA A 113 -2.505 2.037 3.234 1.00 0.21 H new ATOM 0 HA ALA A 113 -2.759 4.927 2.885 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -4.885 4.941 4.081 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -5.014 4.105 2.516 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -4.932 3.163 4.024 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.424 4.900 4.866 1.00 0.24 N ATOM 1708 CA ILE A 114 -0.698 5.091 6.089 1.00 0.27 C ATOM 1709 C ILE A 114 -1.573 5.841 7.077 1.00 0.30 C ATOM 1710 O ILE A 114 -2.239 6.784 6.700 1.00 0.50 O ATOM 1711 CB ILE A 114 0.602 5.879 5.827 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.629 5.005 5.106 1.00 0.38 C ATOM 1713 CG2 ILE A 114 1.177 6.414 7.116 1.00 0.44 C ATOM 1714 CD1 ILE A 114 1.460 4.959 3.602 1.00 0.59 C ATOM 0 H ILE A 114 -1.107 5.491 4.097 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.431 4.119 6.503 1.00 0.27 H new ATOM 0 HB ILE A 114 0.358 6.725 5.185 1.00 0.33 H new ATOM 0 HG12 ILE A 114 2.629 5.374 5.337 1.00 0.38 H new ATOM 0 HG13 ILE A 114 1.565 3.990 5.499 1.00 0.38 H new ATOM 0 HG21 ILE A 114 2.093 6.966 6.904 1.00 0.44 H new ATOM 0 HG22 ILE A 114 0.454 7.079 7.589 1.00 0.44 H new ATOM 0 HG23 ILE A 114 1.400 5.584 7.787 1.00 0.44 H new ATOM 0 HD11 ILE A 114 2.228 4.318 3.169 1.00 0.59 H new ATOM 0 HD12 ILE A 114 0.475 4.561 3.359 1.00 0.59 H new ATOM 0 HD13 ILE A 114 1.555 5.965 3.194 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.578 5.413 8.322 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.356 6.082 9.352 1.00 0.22 C ATOM 1728 C ASN A 115 -1.395 6.493 10.417 1.00 0.20 C ATOM 1729 O ASN A 115 -0.208 6.155 10.346 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.468 5.164 9.893 1.00 0.33 C ATOM 1731 CG ASN A 115 -3.106 4.401 11.151 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -2.001 3.925 11.312 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -4.046 4.300 12.066 1.00 0.56 N ATOM 0 H ASN A 115 -1.052 4.603 8.649 1.00 0.19 H new ATOM 0 HA ASN A 115 -2.868 6.957 8.952 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -4.353 5.768 10.093 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -3.739 4.449 9.116 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -3.856 3.811 12.941 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -4.965 4.711 11.901 1.00 0.56 H new ATOM 1740 N LYS A 116 -1.882 7.238 11.374 1.00 0.19 N ATOM 1741 CA LYS A 116 -1.059 7.691 12.455 1.00 0.20 C ATOM 1742 C LYS A 116 0.010 8.670 11.973 1.00 0.21 C ATOM 1743 O LYS A 116 1.118 8.720 12.507 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.432 6.486 13.154 1.00 0.25 C ATOM 1745 CG LYS A 116 -1.413 5.702 14.006 1.00 0.32 C ATOM 1746 CD LYS A 116 -0.700 4.635 14.817 1.00 0.40 C ATOM 1747 CE LYS A 116 -1.659 3.690 15.520 1.00 0.51 C ATOM 1748 NZ LYS A 116 -0.922 2.628 16.259 1.00 0.59 N ATOM 0 H LYS A 116 -2.854 7.544 11.423 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.682 8.231 13.168 1.00 0.20 H new ATOM 0 HB2 LYS A 116 -0.004 5.822 12.403 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.390 6.828 13.782 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -1.941 6.381 14.676 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -2.164 5.237 13.367 1.00 0.32 H new ATOM 0 HD2 LYS A 116 -0.048 4.060 14.159 1.00 0.40 H new ATOM 0 HD3 LYS A 116 -0.061 5.115 15.559 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -2.285 4.252 16.213 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -2.325 3.233 14.788 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -1.600 2.017 16.757 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 -0.370 2.057 15.587 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 -0.280 3.067 16.949 1.00 0.59 H new ATOM 1762 N MET A 117 -0.345 9.460 10.968 1.00 0.21 N ATOM 1763 CA MET A 117 0.518 10.513 10.469 1.00 0.28 C ATOM 1764 C MET A 117 0.332 11.750 11.323 1.00 0.29 C ATOM 1765 O MET A 117 1.118 12.695 11.269 1.00 0.37 O ATOM 1766 CB MET A 117 0.180 10.813 9.015 1.00 0.38 C ATOM 1767 CG MET A 117 0.583 9.695 8.072 1.00 0.48 C ATOM 1768 SD MET A 117 2.347 9.672 7.756 1.00 0.77 S ATOM 1769 CE MET A 117 2.497 11.197 6.844 1.00 0.92 C ATOM 0 H MET A 117 -1.237 9.386 10.480 1.00 0.21 H new ATOM 0 HA MET A 117 1.559 10.195 10.521 1.00 0.28 H new ATOM 0 HB2 MET A 117 -0.892 10.988 8.925 1.00 0.38 H new ATOM 0 HB3 MET A 117 0.680 11.734 8.714 1.00 0.38 H new ATOM 0 HG2 MET A 117 0.280 8.738 8.497 1.00 0.48 H new ATOM 0 HG3 MET A 117 0.049 9.809 7.129 1.00 0.48 H new ATOM 0 HE1 MET A 117 2.924 10.993 5.862 1.00 0.92 H new ATOM 0 HE2 MET A 117 1.512 11.648 6.725 1.00 0.92 H new ATOM 0 HE3 MET A 117 3.147 11.883 7.387 1.00 0.92 H new ATOM 1779 N ASP A 118 -0.742 11.731 12.102 1.00 0.27 N ATOM 1780 CA ASP A 118 -0.982 12.748 13.124 1.00 0.34 C ATOM 1781 C ASP A 118 0.082 12.627 14.195 1.00 0.33 C ATOM 1782 O ASP A 118 0.487 13.609 14.817 1.00 0.47 O ATOM 1783 CB ASP A 118 -2.365 12.578 13.768 1.00 0.39 C ATOM 1784 CG ASP A 118 -2.490 11.300 14.581 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -2.556 10.222 13.975 1.00 0.67 O ATOM 1786 OD2 ASP A 118 -2.532 11.367 15.826 1.00 0.76 O ATOM 0 H ASP A 118 -1.468 11.017 12.046 1.00 0.27 H new ATOM 0 HA ASP A 118 -0.944 13.729 12.651 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -2.567 13.433 14.413 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.126 12.581 12.987 1.00 0.39 H new ATOM 1791 N LYS A 119 0.524 11.398 14.397 1.00 0.23 N ATOM 1792 CA LYS A 119 1.560 11.102 15.369 1.00 0.26 C ATOM 1793 C LYS A 119 2.915 11.575 14.856 1.00 0.28 C ATOM 1794 O LYS A 119 3.270 11.327 13.711 1.00 0.26 O ATOM 1795 CB LYS A 119 1.603 9.597 15.652 1.00 0.29 C ATOM 1796 CG LYS A 119 0.290 9.048 16.188 1.00 0.36 C ATOM 1797 CD LYS A 119 0.396 7.575 16.551 1.00 0.72 C ATOM 1798 CE LYS A 119 1.274 7.356 17.770 1.00 0.87 C ATOM 1799 NZ LYS A 119 1.334 5.922 18.153 1.00 1.17 N ATOM 0 H LYS A 119 0.176 10.581 13.894 1.00 0.23 H new ATOM 0 HA LYS A 119 1.331 11.629 16.295 1.00 0.26 H new ATOM 0 HB2 LYS A 119 1.862 9.069 14.734 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.395 9.392 16.372 1.00 0.29 H new ATOM 0 HG2 LYS A 119 -0.009 9.618 17.068 1.00 0.36 H new ATOM 0 HG3 LYS A 119 -0.492 9.182 15.440 1.00 0.36 H new ATOM 0 HD2 LYS A 119 -0.600 7.176 16.744 1.00 0.72 H new ATOM 0 HD3 LYS A 119 0.803 7.021 15.705 1.00 0.72 H new ATOM 0 HE2 LYS A 119 2.280 7.720 17.564 1.00 0.87 H new ATOM 0 HE3 LYS A 119 0.889 7.940 18.606 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 1.858 5.823 19.046 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 0.369 5.555 18.275 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 1.818 5.383 17.406 1.00 1.17 H new ATOM 1813 N PRO A 120 3.695 12.262 15.709 1.00 0.38 N ATOM 1814 CA PRO A 120 5.049 12.726 15.360 1.00 0.45 C ATOM 1815 C PRO A 120 5.988 11.563 15.049 1.00 0.40 C ATOM 1816 O PRO A 120 7.072 11.743 14.498 1.00 0.45 O ATOM 1817 CB PRO A 120 5.520 13.462 16.619 1.00 0.57 C ATOM 1818 CG PRO A 120 4.630 12.984 17.717 1.00 0.58 C ATOM 1819 CD PRO A 120 3.314 12.663 17.076 1.00 0.48 C ATOM 0 HA PRO A 120 5.046 13.350 14.466 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.565 13.240 16.836 1.00 0.57 H new ATOM 0 HB3 PRO A 120 5.443 14.542 16.494 1.00 0.57 H new ATOM 0 HG2 PRO A 120 5.051 12.105 18.205 1.00 0.58 H new ATOM 0 HG3 PRO A 120 4.513 13.749 18.485 1.00 0.58 H new ATOM 0 HD2 PRO A 120 2.795 11.861 17.601 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.647 13.525 17.072 1.00 0.48 H new ATOM 1827 N GLU A 121 5.543 10.374 15.415 1.00 0.35 N ATOM 1828 CA GLU A 121 6.291 9.144 15.196 1.00 0.37 C ATOM 1829 C GLU A 121 6.069 8.623 13.782 1.00 0.30 C ATOM 1830 O GLU A 121 6.663 7.627 13.369 1.00 0.37 O ATOM 1831 CB GLU A 121 5.843 8.120 16.230 1.00 0.48 C ATOM 1832 CG GLU A 121 5.890 8.681 17.638 1.00 0.62 C ATOM 1833 CD GLU A 121 5.217 7.797 18.661 1.00 1.04 C ATOM 1834 OE1 GLU A 121 5.831 6.803 19.094 1.00 1.40 O ATOM 1835 OE2 GLU A 121 4.081 8.118 19.065 1.00 1.45 O ATOM 0 H GLU A 121 4.645 10.231 15.877 1.00 0.35 H new ATOM 0 HA GLU A 121 7.359 9.334 15.307 1.00 0.37 H new ATOM 0 HB2 GLU A 121 4.828 7.794 16.003 1.00 0.48 H new ATOM 0 HB3 GLU A 121 6.482 7.239 16.169 1.00 0.48 H new ATOM 0 HG2 GLU A 121 6.930 8.830 17.927 1.00 0.62 H new ATOM 0 HG3 GLU A 121 5.413 9.661 17.646 1.00 0.62 H new ATOM 1842 N ALA A 122 5.206 9.320 13.053 1.00 0.24 N ATOM 1843 CA ALA A 122 4.902 8.995 11.664 1.00 0.22 C ATOM 1844 C ALA A 122 6.151 8.976 10.802 1.00 0.21 C ATOM 1845 O ALA A 122 6.877 9.966 10.708 1.00 0.26 O ATOM 1846 CB ALA A 122 3.902 9.988 11.093 1.00 0.27 C ATOM 0 H ALA A 122 4.696 10.128 13.409 1.00 0.24 H new ATOM 0 HA ALA A 122 4.469 7.995 11.654 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.686 9.731 10.056 1.00 0.27 H new ATOM 0 HB2 ALA A 122 2.981 9.952 11.675 1.00 0.27 H new ATOM 0 HB3 ALA A 122 4.321 10.993 11.138 1.00 0.27 H new ATOM 1852 N ASN A 123 6.406 7.836 10.196 1.00 0.21 N ATOM 1853 CA ASN A 123 7.443 7.723 9.194 1.00 0.23 C ATOM 1854 C ASN A 123 6.864 7.004 7.993 1.00 0.23 C ATOM 1855 O ASN A 123 7.115 5.821 7.772 1.00 0.25 O ATOM 1856 CB ASN A 123 8.632 6.944 9.737 1.00 0.26 C ATOM 1857 CG ASN A 123 9.939 7.395 9.181 1.00 0.42 C ATOM 1858 OD1 ASN A 123 10.982 7.217 9.798 1.00 0.95 O ATOM 1859 ND2 ASN A 123 9.911 7.984 8.021 1.00 0.52 N ATOM 0 H ASN A 123 5.904 6.968 10.382 1.00 0.21 H new ATOM 0 HA ASN A 123 7.791 8.717 8.913 1.00 0.23 H new ATOM 0 HB2 ASN A 123 8.655 7.040 10.823 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.496 5.886 9.514 1.00 0.26 H new ATOM 0 HD21 ASN A 123 10.777 8.315 7.596 1.00 0.52 H new ATOM 0 HD22 ASN A 123 9.023 8.115 7.537 1.00 0.52 H new ATOM 1866 N PRO A 124 6.077 7.725 7.204 1.00 0.25 N ATOM 1867 CA PRO A 124 5.326 7.156 6.086 1.00 0.32 C ATOM 1868 C PRO A 124 6.194 6.541 5.016 1.00 0.33 C ATOM 1869 O PRO A 124 6.042 5.372 4.682 1.00 0.35 O ATOM 1870 CB PRO A 124 4.582 8.351 5.529 1.00 0.40 C ATOM 1871 CG PRO A 124 5.351 9.537 5.987 1.00 0.32 C ATOM 1872 CD PRO A 124 5.830 9.169 7.350 1.00 0.27 C ATOM 0 HA PRO A 124 4.690 6.336 6.419 1.00 0.32 H new ATOM 0 HB2 PRO A 124 4.531 8.311 4.441 1.00 0.40 H new ATOM 0 HB3 PRO A 124 3.556 8.382 5.895 1.00 0.40 H new ATOM 0 HG2 PRO A 124 6.184 9.752 5.318 1.00 0.32 H new ATOM 0 HG3 PRO A 124 4.726 10.429 6.014 1.00 0.32 H new ATOM 0 HD2 PRO A 124 6.734 9.712 7.626 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.084 9.381 8.116 1.00 0.27 H new ATOM 1880 N ASP A 125 7.092 7.337 4.475 1.00 0.37 N ATOM 1881 CA ASP A 125 8.021 6.872 3.449 1.00 0.44 C ATOM 1882 C ASP A 125 8.799 5.666 3.949 1.00 0.34 C ATOM 1883 O ASP A 125 9.210 4.800 3.176 1.00 0.33 O ATOM 1884 CB ASP A 125 8.984 7.987 3.053 1.00 0.61 C ATOM 1885 CG ASP A 125 8.261 9.199 2.510 1.00 0.99 C ATOM 1886 OD1 ASP A 125 7.835 10.061 3.313 1.00 1.44 O ATOM 1887 OD2 ASP A 125 8.130 9.308 1.274 1.00 1.13 O ATOM 0 H ASP A 125 7.204 8.319 4.727 1.00 0.37 H new ATOM 0 HA ASP A 125 7.444 6.581 2.571 1.00 0.44 H new ATOM 0 HB2 ASP A 125 9.577 8.278 3.920 1.00 0.61 H new ATOM 0 HB3 ASP A 125 9.680 7.614 2.302 1.00 0.61 H new ATOM 1892 N ARG A 126 8.946 5.592 5.263 1.00 0.31 N ATOM 1893 CA ARG A 126 9.669 4.493 5.886 1.00 0.31 C ATOM 1894 C ARG A 126 8.818 3.240 5.839 1.00 0.27 C ATOM 1895 O ARG A 126 9.220 2.214 5.292 1.00 0.30 O ATOM 1896 CB ARG A 126 9.998 4.832 7.340 1.00 0.35 C ATOM 1897 CG ARG A 126 10.686 3.718 8.112 1.00 0.51 C ATOM 1898 CD ARG A 126 12.194 3.737 7.911 1.00 1.24 C ATOM 1899 NE ARG A 126 12.817 4.910 8.527 1.00 1.92 N ATOM 1900 CZ ARG A 126 14.134 5.063 8.676 1.00 2.94 C ATOM 1901 NH1 ARG A 126 14.967 4.099 8.296 1.00 3.49 N ATOM 1902 NH2 ARG A 126 14.618 6.167 9.232 1.00 3.79 N ATOM 0 H ARG A 126 8.575 6.279 5.919 1.00 0.31 H new ATOM 0 HA ARG A 126 10.599 4.328 5.343 1.00 0.31 H new ATOM 0 HB2 ARG A 126 10.636 5.715 7.357 1.00 0.35 H new ATOM 0 HB3 ARG A 126 9.074 5.096 7.855 1.00 0.35 H new ATOM 0 HG2 ARG A 126 10.460 3.818 9.174 1.00 0.51 H new ATOM 0 HG3 ARG A 126 10.289 2.755 7.791 1.00 0.51 H new ATOM 0 HD2 ARG A 126 12.627 2.832 8.336 1.00 1.24 H new ATOM 0 HD3 ARG A 126 12.417 3.727 6.844 1.00 1.24 H new ATOM 0 HE ARG A 126 12.207 5.656 8.863 1.00 1.92 H new ATOM 0 HH11 ARG A 126 14.600 3.239 7.889 1.00 3.49 H new ATOM 0 HH12 ARG A 126 15.973 4.220 8.411 1.00 3.49 H new ATOM 0 HH21 ARG A 126 13.983 6.900 9.546 1.00 3.79 H new ATOM 0 HH22 ARG A 126 15.625 6.282 9.345 1.00 3.79 H new ATOM 1916 N VAL A 127 7.626 3.350 6.399 1.00 0.25 N ATOM 1917 CA VAL A 127 6.711 2.224 6.467 1.00 0.28 C ATOM 1918 C VAL A 127 6.216 1.807 5.080 1.00 0.28 C ATOM 1919 O VAL A 127 5.954 0.632 4.845 1.00 0.33 O ATOM 1920 CB VAL A 127 5.528 2.507 7.424 1.00 0.36 C ATOM 1921 CG1 VAL A 127 6.068 2.831 8.800 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.623 3.634 6.931 1.00 0.44 C ATOM 0 H VAL A 127 7.268 4.210 6.814 1.00 0.25 H new ATOM 0 HA VAL A 127 7.272 1.384 6.877 1.00 0.28 H new ATOM 0 HB VAL A 127 4.911 1.609 7.461 1.00 0.36 H new ATOM 0 HG11 VAL A 127 5.239 3.031 9.478 1.00 0.59 H new ATOM 0 HG12 VAL A 127 6.646 1.985 9.173 1.00 0.59 H new ATOM 0 HG13 VAL A 127 6.709 3.710 8.741 1.00 0.59 H new ATOM 0 HG21 VAL A 127 3.812 3.787 7.643 1.00 0.44 H new ATOM 0 HG22 VAL A 127 5.203 4.552 6.839 1.00 0.44 H new ATOM 0 HG23 VAL A 127 4.208 3.368 5.959 1.00 0.44 H new ATOM 1932 N MET A 128 6.138 2.758 4.148 1.00 0.27 N ATOM 1933 CA MET A 128 5.705 2.449 2.784 1.00 0.31 C ATOM 1934 C MET A 128 6.833 1.759 2.013 1.00 0.26 C ATOM 1935 O MET A 128 6.596 1.124 0.984 1.00 0.35 O ATOM 1936 CB MET A 128 5.210 3.716 2.048 1.00 0.52 C ATOM 1937 CG MET A 128 6.310 4.654 1.564 1.00 0.81 C ATOM 1938 SD MET A 128 5.706 6.305 1.117 1.00 0.67 S ATOM 1939 CE MET A 128 4.639 5.978 -0.292 1.00 0.46 C ATOM 0 H MET A 128 6.366 3.739 4.310 1.00 0.27 H new ATOM 0 HA MET A 128 4.860 1.762 2.841 1.00 0.31 H new ATOM 0 HB2 MET A 128 4.612 3.409 1.190 1.00 0.52 H new ATOM 0 HB3 MET A 128 4.549 4.270 2.715 1.00 0.52 H new ATOM 0 HG2 MET A 128 7.064 4.751 2.345 1.00 0.81 H new ATOM 0 HG3 MET A 128 6.802 4.209 0.699 1.00 0.81 H new ATOM 0 HE1 MET A 128 3.884 6.760 -0.366 1.00 0.46 H new ATOM 0 HE2 MET A 128 5.235 5.962 -1.204 1.00 0.46 H new ATOM 0 HE3 MET A 128 4.150 5.013 -0.162 1.00 0.46 H new ATOM 1949 N GLN A 129 8.061 1.863 2.518 1.00 0.24 N ATOM 1950 CA GLN A 129 9.163 1.094 1.949 1.00 0.27 C ATOM 1951 C GLN A 129 9.079 -0.361 2.390 1.00 0.30 C ATOM 1952 O GLN A 129 9.473 -1.263 1.656 1.00 0.33 O ATOM 1953 CB GLN A 129 10.525 1.679 2.319 1.00 0.32 C ATOM 1954 CG GLN A 129 11.025 2.708 1.320 1.00 0.42 C ATOM 1955 CD GLN A 129 12.447 3.152 1.590 1.00 0.54 C ATOM 1956 OE1 GLN A 129 12.821 4.289 1.304 1.00 1.17 O ATOM 1957 NE2 GLN A 129 13.255 2.260 2.136 1.00 1.31 N ATOM 0 H GLN A 129 8.314 2.460 3.305 1.00 0.24 H new ATOM 0 HA GLN A 129 9.068 1.148 0.865 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.460 2.140 3.304 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.252 0.871 2.393 1.00 0.32 H new ATOM 0 HG2 GLN A 129 10.965 2.290 0.315 1.00 0.42 H new ATOM 0 HG3 GLN A 129 10.368 3.578 1.343 1.00 0.42 H new ATOM 0 HE21 GLN A 129 12.908 1.327 2.359 1.00 1.31 H new ATOM 0 HE22 GLN A 129 14.225 2.505 2.334 1.00 1.31 H new ATOM 1966 N GLU A 130 8.545 -0.588 3.583 1.00 0.37 N ATOM 1967 CA GLU A 130 8.311 -1.947 4.059 1.00 0.43 C ATOM 1968 C GLU A 130 7.280 -2.611 3.161 1.00 0.36 C ATOM 1969 O GLU A 130 7.310 -3.824 2.921 1.00 0.35 O ATOM 1970 CB GLU A 130 7.809 -1.927 5.497 1.00 0.61 C ATOM 1971 CG GLU A 130 8.500 -0.883 6.345 1.00 0.63 C ATOM 1972 CD GLU A 130 8.008 -0.864 7.778 1.00 1.04 C ATOM 1973 OE1 GLU A 130 7.408 -1.865 8.218 1.00 1.63 O ATOM 1974 OE2 GLU A 130 8.233 0.146 8.476 1.00 1.64 O ATOM 0 H GLU A 130 8.267 0.145 4.236 1.00 0.37 H new ATOM 0 HA GLU A 130 9.246 -2.507 4.029 1.00 0.43 H new ATOM 0 HB2 GLU A 130 6.736 -1.738 5.500 1.00 0.61 H new ATOM 0 HB3 GLU A 130 7.961 -2.910 5.944 1.00 0.61 H new ATOM 0 HG2 GLU A 130 9.574 -1.070 6.338 1.00 0.63 H new ATOM 0 HG3 GLU A 130 8.344 0.100 5.900 1.00 0.63 H new ATOM 1981 N LEU A 131 6.384 -1.783 2.640 1.00 0.36 N ATOM 1982 CA LEU A 131 5.383 -2.240 1.704 1.00 0.37 C ATOM 1983 C LEU A 131 6.061 -2.809 0.477 1.00 0.29 C ATOM 1984 O LEU A 131 5.743 -3.912 0.035 1.00 0.32 O ATOM 1985 CB LEU A 131 4.438 -1.105 1.283 1.00 0.49 C ATOM 1986 CG LEU A 131 3.240 -0.832 2.202 1.00 0.71 C ATOM 1987 CD1 LEU A 131 2.826 -2.076 2.926 1.00 1.36 C ATOM 1988 CD2 LEU A 131 3.534 0.262 3.200 1.00 1.18 C ATOM 0 H LEU A 131 6.336 -0.787 2.856 1.00 0.36 H new ATOM 0 HA LEU A 131 4.788 -3.008 2.198 1.00 0.37 H new ATOM 0 HB2 LEU A 131 5.022 -0.188 1.203 1.00 0.49 H new ATOM 0 HB3 LEU A 131 4.058 -1.330 0.286 1.00 0.49 H new ATOM 0 HG LEU A 131 2.422 -0.500 1.563 1.00 0.71 H new ATOM 0 HD11 LEU A 131 1.975 -1.856 3.571 1.00 1.36 H new ATOM 0 HD12 LEU A 131 2.545 -2.841 2.203 1.00 1.36 H new ATOM 0 HD13 LEU A 131 3.657 -2.438 3.532 1.00 1.36 H new ATOM 0 HD21 LEU A 131 2.660 0.424 3.831 1.00 1.18 H new ATOM 0 HD22 LEU A 131 4.381 -0.030 3.821 1.00 1.18 H new ATOM 0 HD23 LEU A 131 3.774 1.184 2.670 1.00 1.18 H new ATOM 2000 N MET A 132 7.028 -2.069 -0.057 1.00 0.25 N ATOM 2001 CA MET A 132 7.691 -2.495 -1.279 1.00 0.26 C ATOM 2002 C MET A 132 8.599 -3.689 -1.029 1.00 0.30 C ATOM 2003 O MET A 132 9.057 -4.331 -1.973 1.00 0.37 O ATOM 2004 CB MET A 132 8.490 -1.363 -1.928 1.00 0.32 C ATOM 2005 CG MET A 132 9.819 -1.075 -1.248 1.00 0.88 C ATOM 2006 SD MET A 132 10.722 0.282 -2.008 1.00 1.60 S ATOM 2007 CE MET A 132 10.779 -0.252 -3.715 1.00 1.61 C ATOM 0 H MET A 132 7.364 -1.187 0.331 1.00 0.25 H new ATOM 0 HA MET A 132 6.901 -2.790 -1.970 1.00 0.26 H new ATOM 0 HB2 MET A 132 8.675 -1.615 -2.972 1.00 0.32 H new ATOM 0 HB3 MET A 132 7.886 -0.456 -1.921 1.00 0.32 H new ATOM 0 HG2 MET A 132 9.640 -0.842 -0.198 1.00 0.88 H new ATOM 0 HG3 MET A 132 10.436 -1.973 -1.274 1.00 0.88 H new ATOM 0 HE1 MET A 132 11.546 0.311 -4.247 1.00 1.61 H new ATOM 0 HE2 MET A 132 11.015 -1.315 -3.756 1.00 1.61 H new ATOM 0 HE3 MET A 132 9.811 -0.077 -4.184 1.00 1.61 H new ATOM 2017 N GLU A 133 8.846 -4.002 0.235 1.00 0.32 N ATOM 2018 CA GLU A 133 9.634 -5.169 0.566 1.00 0.40 C ATOM 2019 C GLU A 133 8.786 -6.405 0.340 1.00 0.38 C ATOM 2020 O GLU A 133 9.293 -7.480 0.024 1.00 0.45 O ATOM 2021 CB GLU A 133 10.135 -5.106 2.004 1.00 0.54 C ATOM 2022 CG GLU A 133 11.058 -3.930 2.265 1.00 0.79 C ATOM 2023 CD GLU A 133 11.879 -4.104 3.518 1.00 1.07 C ATOM 2024 OE1 GLU A 133 11.325 -3.968 4.626 1.00 1.53 O ATOM 2025 OE2 GLU A 133 13.088 -4.396 3.399 1.00 1.67 O ATOM 0 H GLU A 133 8.514 -3.467 1.037 1.00 0.32 H new ATOM 0 HA GLU A 133 10.514 -5.206 -0.076 1.00 0.40 H new ATOM 0 HB2 GLU A 133 9.280 -5.045 2.677 1.00 0.54 H new ATOM 0 HB3 GLU A 133 10.661 -6.031 2.240 1.00 0.54 H new ATOM 0 HG2 GLU A 133 11.725 -3.801 1.413 1.00 0.79 H new ATOM 0 HG3 GLU A 133 10.465 -3.019 2.347 1.00 0.79 H new ATOM 2032 N TYR A 134 7.480 -6.228 0.497 1.00 0.35 N ATOM 2033 CA TYR A 134 6.515 -7.223 0.083 1.00 0.40 C ATOM 2034 C TYR A 134 5.934 -6.846 -1.285 1.00 0.41 C ATOM 2035 O TYR A 134 4.777 -7.135 -1.603 1.00 0.50 O ATOM 2036 CB TYR A 134 5.451 -7.381 1.157 1.00 0.46 C ATOM 2037 CG TYR A 134 5.991 -8.108 2.374 1.00 0.55 C ATOM 2038 CD1 TYR A 134 6.596 -9.358 2.272 1.00 0.98 C ATOM 2039 CD2 TYR A 134 5.859 -7.549 3.637 1.00 0.88 C ATOM 2040 CE1 TYR A 134 7.054 -10.019 3.394 1.00 1.08 C ATOM 2041 CE2 TYR A 134 6.310 -8.208 4.763 1.00 0.95 C ATOM 2042 CZ TYR A 134 7.055 -9.438 4.574 1.00 0.80 C ATOM 2043 OH TYR A 134 7.362 -10.105 5.757 1.00 0.95 O ATOM 0 H TYR A 134 7.068 -5.393 0.913 1.00 0.35 H new ATOM 0 HA TYR A 134 6.997 -8.194 -0.035 1.00 0.40 H new ATOM 0 HB2 TYR A 134 5.083 -6.399 1.453 1.00 0.46 H new ATOM 0 HB3 TYR A 134 4.602 -7.931 0.751 1.00 0.46 H new ATOM 0 HD1 TYR A 134 6.709 -9.817 1.301 1.00 0.98 H new ATOM 0 HD2 TYR A 134 5.394 -6.580 3.741 1.00 0.88 H new ATOM 0 HE1 TYR A 134 7.418 -11.032 3.301 1.00 1.08 H new ATOM 0 HE2 TYR A 134 6.115 -7.821 5.752 1.00 0.95 H new ATOM 0 HH TYR A 134 7.301 -9.481 6.510 1.00 0.95 H new ATOM 2053 N ASN A 135 6.791 -6.185 -2.072 1.00 0.36 N ATOM 2054 CA ASN A 135 6.533 -5.811 -3.464 1.00 0.43 C ATOM 2055 C ASN A 135 5.298 -4.923 -3.619 1.00 0.48 C ATOM 2056 O ASN A 135 4.502 -5.082 -4.546 1.00 0.64 O ATOM 2057 CB ASN A 135 6.417 -7.061 -4.337 1.00 0.58 C ATOM 2058 CG ASN A 135 6.450 -6.754 -5.818 1.00 0.71 C ATOM 2059 OD1 ASN A 135 7.047 -5.770 -6.253 1.00 0.89 O ATOM 2060 ND2 ASN A 135 5.832 -7.610 -6.604 1.00 1.10 N ATOM 0 H ASN A 135 7.711 -5.887 -1.746 1.00 0.36 H new ATOM 0 HA ASN A 135 7.384 -5.219 -3.799 1.00 0.43 H new ATOM 0 HB2 ASN A 135 7.232 -7.743 -4.095 1.00 0.58 H new ATOM 0 HB3 ASN A 135 5.487 -7.578 -4.100 1.00 0.58 H new ATOM 0 HD21 ASN A 135 5.837 -7.470 -7.614 1.00 1.10 H new ATOM 0 HD22 ASN A 135 5.348 -8.413 -6.203 1.00 1.10 H new ATOM 2067 N LEU A 136 5.143 -3.990 -2.711 1.00 0.44 N ATOM 2068 CA LEU A 136 4.117 -2.985 -2.832 1.00 0.54 C ATOM 2069 C LEU A 136 4.741 -1.643 -3.118 1.00 0.41 C ATOM 2070 O LEU A 136 5.178 -0.938 -2.210 1.00 0.47 O ATOM 2071 CB LEU A 136 3.305 -2.937 -1.566 1.00 0.78 C ATOM 2072 CG LEU A 136 2.476 -4.184 -1.314 1.00 0.64 C ATOM 2073 CD1 LEU A 136 1.984 -4.199 0.116 1.00 1.36 C ATOM 2074 CD2 LEU A 136 1.323 -4.233 -2.297 1.00 1.17 C ATOM 0 H LEU A 136 5.720 -3.907 -1.874 1.00 0.44 H new ATOM 0 HA LEU A 136 3.456 -3.238 -3.661 1.00 0.54 H new ATOM 0 HB2 LEU A 136 3.977 -2.784 -0.722 1.00 0.78 H new ATOM 0 HB3 LEU A 136 2.641 -2.074 -1.606 1.00 0.78 H new ATOM 0 HG LEU A 136 3.091 -5.071 -1.463 1.00 0.64 H new ATOM 0 HD11 LEU A 136 1.390 -5.097 0.287 1.00 1.36 H new ATOM 0 HD12 LEU A 136 2.837 -4.193 0.794 1.00 1.36 H new ATOM 0 HD13 LEU A 136 1.369 -3.318 0.299 1.00 1.36 H new ATOM 0 HD21 LEU A 136 0.728 -5.128 -2.116 1.00 1.17 H new ATOM 0 HD22 LEU A 136 0.698 -3.350 -2.169 1.00 1.17 H new ATOM 0 HD23 LEU A 136 1.713 -4.256 -3.315 1.00 1.17 H new ATOM 2086 N VAL A 137 4.796 -1.294 -4.385 1.00 0.31 N ATOM 2087 CA VAL A 137 5.501 -0.101 -4.791 1.00 0.27 C ATOM 2088 C VAL A 137 4.539 1.041 -5.039 1.00 0.29 C ATOM 2089 O VAL A 137 3.655 0.955 -5.891 1.00 0.33 O ATOM 2090 CB VAL A 137 6.349 -0.316 -6.048 1.00 0.29 C ATOM 2091 CG1 VAL A 137 7.208 0.917 -6.307 1.00 0.43 C ATOM 2092 CG2 VAL A 137 7.199 -1.568 -5.909 1.00 0.41 C ATOM 0 H VAL A 137 4.363 -1.817 -5.147 1.00 0.31 H new ATOM 0 HA VAL A 137 6.169 0.148 -3.966 1.00 0.27 H new ATOM 0 HB VAL A 137 5.692 -0.461 -6.906 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.810 0.760 -7.202 1.00 0.43 H new ATOM 0 HG12 VAL A 137 6.565 1.785 -6.450 1.00 0.43 H new ATOM 0 HG13 VAL A 137 7.865 1.089 -5.454 1.00 0.43 H new ATOM 0 HG21 VAL A 137 7.795 -1.705 -6.811 1.00 0.41 H new ATOM 0 HG22 VAL A 137 7.861 -1.465 -5.049 1.00 0.41 H new ATOM 0 HG23 VAL A 137 6.552 -2.433 -5.767 1.00 0.41 H new ATOM 2102 N PRO A 138 4.691 2.093 -4.238 1.00 0.34 N ATOM 2103 CA PRO A 138 3.963 3.339 -4.374 1.00 0.43 C ATOM 2104 C PRO A 138 3.878 3.821 -5.802 1.00 0.43 C ATOM 2105 O PRO A 138 4.816 3.687 -6.591 1.00 0.45 O ATOM 2106 CB PRO A 138 4.803 4.309 -3.558 1.00 0.53 C ATOM 2107 CG PRO A 138 5.422 3.482 -2.499 1.00 0.54 C ATOM 2108 CD PRO A 138 5.569 2.107 -3.070 1.00 0.39 C ATOM 0 HA PRO A 138 2.928 3.238 -4.047 1.00 0.43 H new ATOM 0 HB2 PRO A 138 5.561 4.791 -4.176 1.00 0.53 H new ATOM 0 HB3 PRO A 138 4.188 5.101 -3.131 1.00 0.53 H new ATOM 0 HG2 PRO A 138 6.391 3.887 -2.206 1.00 0.54 H new ATOM 0 HG3 PRO A 138 4.800 3.467 -1.604 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.603 1.903 -3.349 1.00 0.39 H new ATOM 0 HD3 PRO A 138 5.278 1.345 -2.347 1.00 0.39 H new ATOM 2116 N GLU A 139 2.746 4.405 -6.108 1.00 0.48 N ATOM 2117 CA GLU A 139 2.532 5.010 -7.420 1.00 0.56 C ATOM 2118 C GLU A 139 3.360 6.279 -7.530 1.00 0.56 C ATOM 2119 O GLU A 139 3.666 6.753 -8.626 1.00 0.64 O ATOM 2120 CB GLU A 139 1.056 5.313 -7.669 1.00 0.71 C ATOM 2121 CG GLU A 139 0.206 4.077 -7.899 1.00 1.35 C ATOM 2122 CD GLU A 139 0.643 3.296 -9.115 1.00 2.40 C ATOM 2123 OE1 GLU A 139 1.650 2.573 -9.020 1.00 3.08 O ATOM 2124 OE2 GLU A 139 -0.008 3.414 -10.171 1.00 2.78 O ATOM 0 H GLU A 139 1.952 4.480 -5.473 1.00 0.48 H new ATOM 0 HA GLU A 139 2.848 4.298 -8.182 1.00 0.56 H new ATOM 0 HB2 GLU A 139 0.659 5.862 -6.815 1.00 0.71 H new ATOM 0 HB3 GLU A 139 0.971 5.968 -8.536 1.00 0.71 H new ATOM 0 HG2 GLU A 139 0.258 3.435 -7.020 1.00 1.35 H new ATOM 0 HG3 GLU A 139 -0.837 4.373 -8.016 1.00 1.35 H new ATOM 2131 N GLU A 140 3.724 6.819 -6.375 1.00 0.54 N ATOM 2132 CA GLU A 140 4.666 7.920 -6.301 1.00 0.60 C ATOM 2133 C GLU A 140 6.057 7.466 -6.747 1.00 0.56 C ATOM 2134 O GLU A 140 6.898 8.290 -7.104 1.00 0.65 O ATOM 2135 CB GLU A 140 4.729 8.511 -4.878 1.00 0.67 C ATOM 2136 CG GLU A 140 4.594 7.498 -3.763 1.00 0.63 C ATOM 2137 CD GLU A 140 3.151 7.259 -3.373 1.00 1.12 C ATOM 2138 OE1 GLU A 140 2.488 6.413 -4.012 1.00 1.57 O ATOM 2139 OE2 GLU A 140 2.676 7.922 -2.432 1.00 1.27 O ATOM 0 H GLU A 140 3.375 6.506 -5.469 1.00 0.54 H new ATOM 0 HA GLU A 140 4.316 8.702 -6.975 1.00 0.60 H new ATOM 0 HB2 GLU A 140 5.677 9.036 -4.760 1.00 0.67 H new ATOM 0 HB3 GLU A 140 3.938 9.253 -4.773 1.00 0.67 H new ATOM 0 HG2 GLU A 140 5.044 6.556 -4.075 1.00 0.63 H new ATOM 0 HG3 GLU A 140 5.151 7.844 -2.892 1.00 0.63 H new ATOM 2146 N TRP A 141 6.304 6.152 -6.727 1.00 0.47 N ATOM 2147 CA TRP A 141 7.592 5.615 -7.122 1.00 0.49 C ATOM 2148 C TRP A 141 7.489 4.857 -8.441 1.00 0.51 C ATOM 2149 O TRP A 141 8.501 4.463 -9.025 1.00 0.66 O ATOM 2150 CB TRP A 141 8.123 4.696 -6.048 1.00 0.45 C ATOM 2151 CG TRP A 141 8.230 5.327 -4.693 1.00 0.46 C ATOM 2152 CD1 TRP A 141 8.076 6.647 -4.366 1.00 0.54 C ATOM 2153 CD2 TRP A 141 8.518 4.651 -3.479 1.00 0.44 C ATOM 2154 NE1 TRP A 141 8.228 6.817 -3.013 1.00 0.55 N ATOM 2155 CE2 TRP A 141 8.506 5.605 -2.447 1.00 0.49 C ATOM 2156 CE3 TRP A 141 8.775 3.323 -3.169 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 8.749 5.266 -1.123 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 9.016 2.984 -1.858 1.00 0.50 C ATOM 2159 CH2 TRP A 141 8.996 3.950 -0.848 1.00 0.52 C ATOM 0 H TRP A 141 5.623 5.448 -6.440 1.00 0.47 H new ATOM 0 HA TRP A 141 8.278 6.451 -7.257 1.00 0.49 H new ATOM 0 HB2 TRP A 141 7.473 3.823 -5.979 1.00 0.45 H new ATOM 0 HB3 TRP A 141 9.108 4.337 -6.348 1.00 0.45 H new ATOM 0 HD1 TRP A 141 7.866 7.439 -5.070 1.00 0.54 H new ATOM 0 HE1 TRP A 141 8.147 7.702 -2.512 1.00 0.55 H new ATOM 0 HE3 TRP A 141 8.786 2.570 -3.943 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 8.743 6.012 -0.342 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 9.224 1.955 -1.605 1.00 0.50 H new ATOM 0 HH2 TRP A 141 9.180 3.650 0.173 1.00 0.52 H new ATOM 2170 N GLY A 142 6.262 4.634 -8.891 1.00 0.45 N ATOM 2171 CA GLY A 142 6.045 3.996 -10.175 1.00 0.50 C ATOM 2172 C GLY A 142 5.866 2.490 -10.080 1.00 0.45 C ATOM 2173 O GLY A 142 6.210 1.765 -11.014 1.00 0.53 O ATOM 0 H GLY A 142 5.410 4.884 -8.389 1.00 0.45 H new ATOM 0 HA2 GLY A 142 5.162 4.430 -10.643 1.00 0.50 H new ATOM 0 HA3 GLY A 142 6.891 4.213 -10.827 1.00 0.50 H new ATOM 2177 N GLY A 143 5.336 2.009 -8.959 1.00 0.39 N ATOM 2178 CA GLY A 143 5.072 0.587 -8.834 1.00 0.41 C ATOM 2179 C GLY A 143 3.684 0.215 -9.310 1.00 0.45 C ATOM 2180 O GLY A 143 3.414 0.233 -10.513 1.00 0.60 O ATOM 0 H GLY A 143 5.087 2.570 -8.145 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.812 0.031 -9.409 1.00 0.41 H new ATOM 0 HA3 GLY A 143 5.188 0.289 -7.792 1.00 0.41 H new ATOM 2184 N ASP A 144 2.808 -0.131 -8.371 1.00 0.40 N ATOM 2185 CA ASP A 144 1.409 -0.390 -8.701 1.00 0.45 C ATOM 2186 C ASP A 144 0.545 -0.405 -7.438 1.00 0.33 C ATOM 2187 O ASP A 144 -0.119 -1.401 -7.089 1.00 0.35 O ATOM 2188 CB ASP A 144 1.280 -1.707 -9.461 1.00 0.64 C ATOM 2189 CG ASP A 144 -0.101 -1.931 -10.046 1.00 1.33 C ATOM 2190 OD1 ASP A 144 -0.457 -1.229 -11.015 1.00 1.91 O ATOM 2191 OD2 ASP A 144 -0.838 -2.796 -9.524 1.00 1.91 O ATOM 0 H ASP A 144 3.039 -0.238 -7.383 1.00 0.40 H new ATOM 0 HA ASP A 144 1.051 0.416 -9.342 1.00 0.45 H new ATOM 0 HB2 ASP A 144 2.015 -1.727 -10.266 1.00 0.64 H new ATOM 0 HB3 ASP A 144 1.520 -2.531 -8.789 1.00 0.64 H new ATOM 2196 N THR A 145 0.540 0.725 -6.763 1.00 0.26 N ATOM 2197 CA THR A 145 -0.246 0.903 -5.557 1.00 0.24 C ATOM 2198 C THR A 145 -0.353 2.378 -5.197 1.00 0.27 C ATOM 2199 O THR A 145 0.659 3.036 -4.954 1.00 0.37 O ATOM 2200 CB THR A 145 0.369 0.156 -4.358 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.383 -1.259 -4.583 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.411 0.462 -3.099 1.00 0.30 C ATOM 0 H THR A 145 1.080 1.547 -7.033 1.00 0.26 H new ATOM 0 HA THR A 145 -1.234 0.493 -5.765 1.00 0.24 H new ATOM 0 HB THR A 145 1.398 0.497 -4.241 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.154 -1.470 -5.375 1.00 0.30 H new ATOM 0 HG21 THR A 145 0.032 -0.071 -2.258 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.382 1.534 -2.905 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.446 0.144 -3.226 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.565 2.906 -5.162 1.00 0.26 N ATOM 2211 CA ILE A 146 -1.762 4.264 -4.709 1.00 0.28 C ATOM 2212 C ILE A 146 -1.575 4.322 -3.198 1.00 0.23 C ATOM 2213 O ILE A 146 -2.419 3.853 -2.428 1.00 0.24 O ATOM 2214 CB ILE A 146 -3.151 4.805 -5.099 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -3.224 5.088 -6.602 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.479 6.056 -4.304 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.343 6.237 -7.048 1.00 0.63 C ATOM 0 H ILE A 146 -2.416 2.418 -5.440 1.00 0.26 H new ATOM 0 HA ILE A 146 -1.022 4.898 -5.198 1.00 0.28 H new ATOM 0 HB ILE A 146 -3.891 4.041 -4.861 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -2.937 4.189 -7.147 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -4.257 5.308 -6.872 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.464 6.423 -4.593 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.478 5.821 -3.240 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -2.732 6.823 -4.508 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.447 6.379 -8.124 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -2.644 7.148 -6.531 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -1.303 6.012 -6.810 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.437 4.842 -2.791 1.00 0.25 N ATOM 2230 CA PHE A 147 -0.114 4.991 -1.385 1.00 0.30 C ATOM 2231 C PHE A 147 -0.642 6.314 -0.855 1.00 0.32 C ATOM 2232 O PHE A 147 -0.254 7.386 -1.321 1.00 0.50 O ATOM 2233 CB PHE A 147 1.394 4.931 -1.186 1.00 0.41 C ATOM 2234 CG PHE A 147 1.944 3.541 -1.059 1.00 0.33 C ATOM 2235 CD1 PHE A 147 1.943 2.690 -2.140 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.462 3.085 0.144 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.452 1.413 -2.038 1.00 0.33 C ATOM 2238 CE2 PHE A 147 2.972 1.805 0.250 1.00 0.36 C ATOM 2239 CZ PHE A 147 2.968 0.969 -0.844 1.00 0.33 C ATOM 0 H PHE A 147 0.291 5.174 -3.424 1.00 0.25 H new ATOM 0 HA PHE A 147 -0.585 4.175 -0.836 1.00 0.30 H new ATOM 0 HB2 PHE A 147 1.880 5.426 -2.027 1.00 0.41 H new ATOM 0 HB3 PHE A 147 1.653 5.495 -0.290 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.537 3.027 -3.082 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.467 3.736 1.006 1.00 0.37 H new ATOM 0 HE1 PHE A 147 2.445 0.760 -2.898 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.374 1.460 1.191 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.368 -0.031 -0.764 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.550 6.234 0.091 1.00 0.26 N ATOM 2250 CA CYS A 148 -2.084 7.409 0.744 1.00 0.27 C ATOM 2251 C CYS A 148 -1.464 7.576 2.128 1.00 0.31 C ATOM 2252 O CYS A 148 -1.368 6.618 2.887 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.600 7.284 0.858 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.449 7.128 -0.729 1.00 0.68 S ATOM 0 H CYS A 148 -1.939 5.354 0.430 1.00 0.26 H new ATOM 0 HA CYS A 148 -1.839 8.289 0.149 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -3.837 6.415 1.472 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -3.988 8.158 1.381 1.00 0.30 H new ATOM 0 HG CYS A 148 -4.920 5.923 -0.852 1.00 0.68 H new ATOM 2260 N LYS A 149 -1.025 8.782 2.443 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.496 9.084 3.769 1.00 0.28 C ATOM 2262 C LYS A 149 -1.550 9.835 4.570 1.00 0.28 C ATOM 2263 O LYS A 149 -1.836 10.999 4.288 1.00 0.40 O ATOM 2264 CB LYS A 149 0.777 9.926 3.650 1.00 0.36 C ATOM 2265 CG LYS A 149 1.908 9.229 2.906 1.00 0.56 C ATOM 2266 CD LYS A 149 3.079 10.172 2.681 1.00 0.89 C ATOM 2267 CE LYS A 149 4.270 9.452 2.068 1.00 1.01 C ATOM 2268 NZ LYS A 149 5.418 10.374 1.845 1.00 1.44 N ATOM 0 H LYS A 149 -1.023 9.573 1.799 1.00 0.29 H new ATOM 0 HA LYS A 149 -0.248 8.154 4.281 1.00 0.28 H new ATOM 0 HB2 LYS A 149 0.538 10.858 3.138 1.00 0.36 H new ATOM 0 HB3 LYS A 149 1.121 10.191 4.650 1.00 0.36 H new ATOM 0 HG2 LYS A 149 2.241 8.361 3.475 1.00 0.56 H new ATOM 0 HG3 LYS A 149 1.544 8.861 1.947 1.00 0.56 H new ATOM 0 HD2 LYS A 149 2.770 10.987 2.026 1.00 0.89 H new ATOM 0 HD3 LYS A 149 3.373 10.620 3.630 1.00 0.89 H new ATOM 0 HE2 LYS A 149 4.579 8.638 2.723 1.00 1.01 H new ATOM 0 HE3 LYS A 149 3.975 9.003 1.120 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 5.932 10.088 0.987 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 5.066 11.346 1.730 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 6.060 10.333 2.662 1.00 1.44 H new ATOM 2282 N LEU A 150 -2.146 9.172 5.552 1.00 0.21 N ATOM 2283 CA LEU A 150 -3.257 9.752 6.279 1.00 0.22 C ATOM 2284 C LEU A 150 -3.166 9.498 7.776 1.00 0.19 C ATOM 2285 O LEU A 150 -2.196 8.971 8.298 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.574 9.188 5.734 1.00 0.25 C ATOM 2287 CG LEU A 150 -4.801 7.693 5.903 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -5.603 7.386 7.155 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -5.474 7.117 4.669 1.00 0.84 C ATOM 0 H LEU A 150 -1.877 8.237 5.859 1.00 0.21 H new ATOM 0 HA LEU A 150 -3.219 10.831 6.133 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.396 9.714 6.220 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.630 9.422 4.671 1.00 0.25 H new ATOM 0 HG LEU A 150 -3.827 7.218 6.020 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -5.745 6.309 7.241 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -5.066 7.753 8.030 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -6.575 7.876 7.094 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -5.629 6.047 4.805 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -6.436 7.607 4.517 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -4.840 7.283 3.798 1.00 0.84 H new ATOM 2301 N SER A 151 -4.229 9.874 8.436 1.00 0.26 N ATOM 2302 CA SER A 151 -4.417 9.672 9.851 1.00 0.29 C ATOM 2303 C SER A 151 -5.893 9.779 10.118 1.00 0.25 C ATOM 2304 O SER A 151 -6.469 10.868 10.056 1.00 0.29 O ATOM 2305 CB SER A 151 -3.657 10.678 10.687 1.00 0.46 C ATOM 2306 OG SER A 151 -2.748 10.004 11.509 1.00 1.77 O ATOM 0 H SER A 151 -5.016 10.346 7.989 1.00 0.26 H new ATOM 0 HA SER A 151 -4.028 8.693 10.132 1.00 0.29 H new ATOM 0 HB2 SER A 151 -3.130 11.380 10.041 1.00 0.46 H new ATOM 0 HB3 SER A 151 -4.350 11.261 11.293 1.00 0.46 H new ATOM 0 HG SER A 151 -3.049 10.055 12.440 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.518 8.650 10.355 1.00 0.28 N ATOM 2313 CA ALA A 152 -7.942 8.635 10.618 1.00 0.31 C ATOM 2314 C ALA A 152 -8.210 9.275 11.962 1.00 0.33 C ATOM 2315 O ALA A 152 -9.344 9.622 12.292 1.00 0.41 O ATOM 2316 CB ALA A 152 -8.483 7.228 10.562 1.00 0.41 C ATOM 0 H ALA A 152 -6.069 7.734 10.372 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.457 9.209 9.848 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -9.554 7.242 10.763 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -8.305 6.809 9.572 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -7.981 6.615 11.311 1.00 0.41 H new ATOM 2322 N LYS A 153 -7.140 9.430 12.728 1.00 0.30 N ATOM 2323 CA LYS A 153 -7.192 10.188 13.961 1.00 0.34 C ATOM 2324 C LYS A 153 -7.541 11.647 13.676 1.00 0.36 C ATOM 2325 O LYS A 153 -8.540 12.158 14.175 1.00 0.49 O ATOM 2326 CB LYS A 153 -5.858 10.111 14.675 1.00 0.35 C ATOM 2327 CG LYS A 153 -5.975 9.952 16.178 1.00 0.60 C ATOM 2328 CD LYS A 153 -6.592 11.179 16.837 1.00 1.12 C ATOM 2329 CE LYS A 153 -6.670 11.027 18.348 1.00 1.65 C ATOM 2330 NZ LYS A 153 -7.534 9.886 18.746 1.00 2.30 N ATOM 0 H LYS A 153 -6.223 9.038 12.513 1.00 0.30 H new ATOM 0 HA LYS A 153 -7.965 9.759 14.598 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -5.290 9.272 14.274 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -5.288 11.014 14.458 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -6.583 9.076 16.403 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -4.987 9.772 16.601 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -6.001 12.061 16.590 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -7.592 11.343 16.436 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -5.668 10.881 18.750 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -7.058 11.947 18.786 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -7.727 9.936 19.767 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -8.431 9.930 18.222 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -7.050 8.992 18.528 1.00 2.30 H new ATOM 2344 N THR A 154 -6.734 12.303 12.850 1.00 0.30 N ATOM 2345 CA THR A 154 -6.907 13.726 12.600 1.00 0.39 C ATOM 2346 C THR A 154 -7.965 14.011 11.538 1.00 0.36 C ATOM 2347 O THR A 154 -8.347 15.162 11.325 1.00 0.41 O ATOM 2348 CB THR A 154 -5.575 14.357 12.185 1.00 0.47 C ATOM 2349 OG1 THR A 154 -4.791 13.385 11.481 1.00 0.50 O ATOM 2350 CG2 THR A 154 -4.813 14.858 13.398 1.00 0.70 C ATOM 0 H THR A 154 -5.958 11.874 12.345 1.00 0.30 H new ATOM 0 HA THR A 154 -7.254 14.171 13.533 1.00 0.39 H new ATOM 0 HB THR A 154 -5.776 15.209 11.536 1.00 0.47 H new ATOM 0 HG1 THR A 154 -4.013 13.823 11.076 1.00 0.50 H new ATOM 0 HG21 THR A 154 -3.870 15.302 13.078 1.00 0.70 H new ATOM 0 HG22 THR A 154 -5.409 15.608 13.918 1.00 0.70 H new ATOM 0 HG23 THR A 154 -4.611 14.024 14.071 1.00 0.70 H new ATOM 2358 N LYS A 155 -8.427 12.948 10.880 1.00 0.30 N ATOM 2359 CA LYS A 155 -9.462 13.046 9.845 1.00 0.32 C ATOM 2360 C LYS A 155 -8.973 13.843 8.656 1.00 0.34 C ATOM 2361 O LYS A 155 -9.682 14.689 8.122 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.749 13.672 10.382 1.00 0.38 C ATOM 2363 CG LYS A 155 -11.484 12.782 11.352 1.00 0.40 C ATOM 2364 CD LYS A 155 -11.654 11.387 10.783 1.00 0.45 C ATOM 2365 CE LYS A 155 -12.637 10.574 11.615 1.00 0.61 C ATOM 2366 NZ LYS A 155 -12.303 10.600 13.067 1.00 1.36 N ATOM 0 H LYS A 155 -8.097 11.997 11.047 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.681 12.027 9.528 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -10.509 14.614 10.874 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -11.407 13.908 9.546 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -10.936 12.731 12.293 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -12.461 13.210 11.576 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -12.009 11.451 9.754 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -10.689 10.881 10.757 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -13.644 10.965 11.469 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -12.641 9.542 11.263 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -12.865 9.881 13.565 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -11.291 10.398 13.194 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -12.520 11.540 13.456 1.00 1.36 H new ATOM 2380 N GLU A 156 -7.763 13.550 8.235 1.00 0.30 N ATOM 2381 CA GLU A 156 -7.161 14.282 7.129 1.00 0.33 C ATOM 2382 C GLU A 156 -7.171 13.421 5.884 1.00 0.28 C ATOM 2383 O GLU A 156 -7.903 13.662 4.917 1.00 0.30 O ATOM 2384 CB GLU A 156 -5.716 14.654 7.454 1.00 0.40 C ATOM 2385 CG GLU A 156 -5.533 15.205 8.851 1.00 1.30 C ATOM 2386 CD GLU A 156 -4.081 15.474 9.177 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -3.371 14.529 9.558 1.00 2.48 O ATOM 2388 OE2 GLU A 156 -3.643 16.636 9.047 1.00 1.52 O ATOM 0 H GLU A 156 -7.176 12.817 8.634 1.00 0.30 H new ATOM 0 HA GLU A 156 -7.739 15.191 6.965 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -5.087 13.772 7.335 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -5.369 15.393 6.732 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -6.103 16.129 8.952 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -5.940 14.498 9.574 1.00 1.30 H new ATOM 2395 N GLY A 157 -6.376 12.378 5.953 1.00 0.29 N ATOM 2396 CA GLY A 157 -6.177 11.519 4.825 1.00 0.28 C ATOM 2397 C GLY A 157 -7.376 10.650 4.498 1.00 0.27 C ATOM 2398 O GLY A 157 -7.374 9.978 3.476 1.00 0.29 O ATOM 0 H GLY A 157 -5.856 12.109 6.788 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -5.934 12.128 3.955 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -5.317 10.878 5.016 1.00 0.28 H new ATOM 2402 N LEU A 158 -8.397 10.636 5.358 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.597 9.869 5.063 1.00 0.28 C ATOM 2404 C LEU A 158 -10.301 10.476 3.868 1.00 0.30 C ATOM 2405 O LEU A 158 -10.819 9.770 2.994 1.00 0.33 O ATOM 2406 CB LEU A 158 -10.533 9.822 6.269 1.00 0.31 C ATOM 2407 CG LEU A 158 -10.070 8.926 7.417 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -11.146 8.846 8.490 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.720 7.537 6.905 1.00 0.80 C ATOM 0 H LEU A 158 -8.413 11.138 6.246 1.00 0.26 H new ATOM 0 HA LEU A 158 -9.308 8.844 4.831 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -10.661 10.836 6.649 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.513 9.481 5.935 1.00 0.31 H new ATOM 0 HG LEU A 158 -9.173 9.362 7.857 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.803 8.205 9.302 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -11.349 9.845 8.877 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -12.058 8.431 8.061 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -9.393 6.914 7.737 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.598 7.089 6.440 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -8.918 7.611 6.170 1.00 0.80 H new ATOM 2421 N ASP A 159 -10.300 11.799 3.822 1.00 0.32 N ATOM 2422 CA ASP A 159 -10.850 12.508 2.686 1.00 0.38 C ATOM 2423 C ASP A 159 -9.944 12.313 1.488 1.00 0.32 C ATOM 2424 O ASP A 159 -10.405 12.015 0.391 1.00 0.33 O ATOM 2425 CB ASP A 159 -11.021 13.996 2.989 1.00 0.50 C ATOM 2426 CG ASP A 159 -11.988 14.246 4.122 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -13.200 14.008 3.936 1.00 1.42 O ATOM 2428 OD2 ASP A 159 -11.544 14.696 5.201 1.00 2.20 O ATOM 0 H ASP A 159 -9.925 12.398 4.557 1.00 0.32 H new ATOM 0 HA ASP A 159 -11.838 12.103 2.467 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -10.052 14.426 3.241 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -11.374 14.508 2.094 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.639 12.434 1.719 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.651 12.247 0.662 1.00 0.30 C ATOM 2435 C HIS A 160 -7.691 10.816 0.115 1.00 0.28 C ATOM 2436 O HIS A 160 -7.274 10.562 -1.014 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.254 12.584 1.187 1.00 0.34 C ATOM 2438 CG HIS A 160 -5.163 12.411 0.173 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -4.822 13.381 -0.745 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.341 11.365 -0.065 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -3.838 12.935 -1.504 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.523 11.714 -1.111 1.00 0.54 N ATOM 0 H HIS A 160 -8.242 12.661 2.631 1.00 0.30 H new ATOM 0 HA HIS A 160 -7.893 12.923 -0.158 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -6.248 13.616 1.539 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -6.039 11.952 2.049 1.00 0.34 H new ATOM 0 HD2 HIS A 160 -4.330 10.427 0.470 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -3.369 13.478 -2.311 1.00 0.58 H new ATOM 0 HE2 HIS A 160 -2.794 11.128 -1.517 1.00 0.54 H new ATOM 2451 N LEU A 161 -8.208 9.892 0.914 1.00 0.27 N ATOM 2452 CA LEU A 161 -8.296 8.498 0.518 1.00 0.28 C ATOM 2453 C LEU A 161 -9.297 8.355 -0.608 1.00 0.29 C ATOM 2454 O LEU A 161 -8.992 7.815 -1.672 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.723 7.637 1.709 1.00 0.29 C ATOM 2456 CG LEU A 161 -8.706 6.130 1.472 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -7.291 5.645 1.195 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -9.297 5.400 2.668 1.00 1.16 C ATOM 0 H LEU A 161 -8.574 10.088 1.846 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.317 8.161 0.177 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -8.068 7.862 2.551 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.731 7.929 2.003 1.00 0.29 H new ATOM 0 HG LEU A 161 -9.317 5.912 0.596 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.302 4.568 1.029 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -6.902 6.145 0.308 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -6.654 5.874 2.049 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -9.278 4.326 2.484 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -8.711 5.626 3.558 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -10.327 5.724 2.820 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.490 8.874 -0.373 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.536 8.835 -1.374 1.00 0.37 C ATOM 2472 C LEU A 162 -11.165 9.713 -2.568 1.00 0.38 C ATOM 2473 O LEU A 162 -11.606 9.463 -3.681 1.00 0.45 O ATOM 2474 CB LEU A 162 -12.881 9.243 -0.752 1.00 0.47 C ATOM 2475 CG LEU A 162 -12.996 10.672 -0.206 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -13.263 11.678 -1.317 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -14.090 10.741 0.844 1.00 1.51 C ATOM 0 H LEU A 162 -10.756 9.326 0.502 1.00 0.31 H new ATOM 0 HA LEU A 162 -11.642 7.815 -1.744 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -13.657 9.106 -1.505 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -13.100 8.552 0.062 1.00 0.47 H new ATOM 0 HG LEU A 162 -12.042 10.934 0.252 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -13.338 12.679 -0.891 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -12.445 11.650 -2.037 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -14.197 11.426 -1.819 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -14.164 11.759 1.226 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -15.041 10.450 0.398 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -13.851 10.063 1.663 1.00 1.51 H new ATOM 2489 N GLU A 163 -10.340 10.735 -2.331 1.00 0.37 N ATOM 2490 CA GLU A 163 -9.840 11.583 -3.410 1.00 0.44 C ATOM 2491 C GLU A 163 -9.009 10.769 -4.400 1.00 0.41 C ATOM 2492 O GLU A 163 -9.033 11.021 -5.606 1.00 0.50 O ATOM 2493 CB GLU A 163 -8.992 12.730 -2.855 1.00 0.56 C ATOM 2494 CG GLU A 163 -9.777 13.722 -2.012 1.00 1.03 C ATOM 2495 CD GLU A 163 -8.893 14.772 -1.370 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -7.676 14.792 -1.656 1.00 2.57 O ATOM 2497 OE2 GLU A 163 -9.409 15.589 -0.576 1.00 2.14 O ATOM 0 H GLU A 163 -10.006 10.993 -1.403 1.00 0.37 H new ATOM 0 HA GLU A 163 -10.704 11.999 -3.928 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -8.185 12.314 -2.252 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -8.528 13.261 -3.686 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -10.523 14.213 -2.637 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -10.318 13.183 -1.234 1.00 1.03 H new ATOM 2504 N MET A 164 -8.277 9.791 -3.889 1.00 0.37 N ATOM 2505 CA MET A 164 -7.447 8.944 -4.736 1.00 0.39 C ATOM 2506 C MET A 164 -8.283 7.839 -5.362 1.00 0.37 C ATOM 2507 O MET A 164 -8.086 7.467 -6.518 1.00 0.43 O ATOM 2508 CB MET A 164 -6.294 8.345 -3.931 1.00 0.43 C ATOM 2509 CG MET A 164 -5.347 9.373 -3.324 1.00 0.64 C ATOM 2510 SD MET A 164 -4.328 10.243 -4.546 1.00 0.58 S ATOM 2511 CE MET A 164 -5.502 11.387 -5.272 1.00 0.53 C ATOM 0 H MET A 164 -8.240 9.563 -2.895 1.00 0.37 H new ATOM 0 HA MET A 164 -7.029 9.559 -5.533 1.00 0.39 H new ATOM 0 HB2 MET A 164 -6.707 7.732 -3.130 1.00 0.43 H new ATOM 0 HB3 MET A 164 -5.722 7.680 -4.578 1.00 0.43 H new ATOM 0 HG2 MET A 164 -5.930 10.104 -2.765 1.00 0.64 H new ATOM 0 HG3 MET A 164 -4.693 8.873 -2.610 1.00 0.64 H new ATOM 0 HE1 MET A 164 -5.017 12.349 -5.439 1.00 0.53 H new ATOM 0 HE2 MET A 164 -5.857 10.990 -6.223 1.00 0.53 H new ATOM 0 HE3 MET A 164 -6.347 11.519 -4.596 1.00 0.53 H new ATOM 2521 N ILE A 165 -9.231 7.329 -4.591 1.00 0.34 N ATOM 2522 CA ILE A 165 -10.120 6.276 -5.060 1.00 0.38 C ATOM 2523 C ILE A 165 -11.085 6.800 -6.123 1.00 0.44 C ATOM 2524 O ILE A 165 -11.308 6.147 -7.142 1.00 0.52 O ATOM 2525 CB ILE A 165 -10.923 5.672 -3.894 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -9.977 4.949 -2.929 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -11.995 4.730 -4.420 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -10.659 4.395 -1.699 1.00 0.50 C ATOM 0 H ILE A 165 -9.405 7.629 -3.632 1.00 0.34 H new ATOM 0 HA ILE A 165 -9.495 5.500 -5.502 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.421 6.474 -3.350 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -9.488 4.132 -3.460 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -9.194 5.641 -2.617 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -12.554 4.311 -3.583 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -12.675 5.280 -5.071 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -11.526 3.923 -4.983 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -9.923 3.899 -1.067 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -11.124 5.209 -1.143 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -11.423 3.677 -1.999 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.658 7.977 -5.889 1.00 0.46 N ATOM 2541 CA LEU A 166 -12.596 8.557 -6.842 1.00 0.57 C ATOM 2542 C LEU A 166 -11.862 8.994 -8.106 1.00 0.61 C ATOM 2543 O LEU A 166 -12.439 9.024 -9.187 1.00 0.70 O ATOM 2544 CB LEU A 166 -13.401 9.704 -6.196 1.00 0.66 C ATOM 2545 CG LEU A 166 -13.218 11.107 -6.788 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -14.411 11.982 -6.440 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -11.947 11.750 -6.265 1.00 1.38 C ATOM 0 H LEU A 166 -11.491 8.542 -5.056 1.00 0.46 H new ATOM 0 HA LEU A 166 -13.321 7.798 -7.135 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -14.459 9.448 -6.253 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -13.140 9.747 -5.139 1.00 0.66 H new ATOM 0 HG LEU A 166 -13.143 11.011 -7.871 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -14.270 12.976 -6.865 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -15.319 11.538 -6.848 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -14.501 12.061 -5.357 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -11.837 12.744 -6.698 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -12.000 11.831 -5.179 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -11.089 11.137 -6.541 1.00 1.38 H new ATOM 2559 N LEU A 167 -10.574 9.286 -7.968 1.00 0.56 N ATOM 2560 CA LEU A 167 -9.728 9.528 -9.128 1.00 0.64 C ATOM 2561 C LEU A 167 -9.772 8.296 -10.025 1.00 0.66 C ATOM 2562 O LEU A 167 -9.905 8.395 -11.245 1.00 0.75 O ATOM 2563 CB LEU A 167 -8.289 9.825 -8.678 1.00 0.64 C ATOM 2564 CG LEU A 167 -7.393 10.553 -9.697 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -6.959 9.622 -10.821 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -8.109 11.768 -10.261 1.00 1.51 C ATOM 0 H LEU A 167 -10.096 9.360 -7.070 1.00 0.56 H new ATOM 0 HA LEU A 167 -10.090 10.393 -9.683 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -8.332 10.425 -7.769 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -7.811 8.881 -8.415 1.00 0.64 H new ATOM 0 HG LEU A 167 -6.496 10.885 -9.174 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -6.328 10.168 -11.522 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -6.399 8.785 -10.404 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -7.839 9.246 -11.342 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -7.462 12.271 -10.979 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -9.026 11.452 -10.758 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -8.354 12.455 -9.451 1.00 1.51 H new ATOM 2578 N VAL A 168 -9.686 7.130 -9.396 1.00 0.61 N ATOM 2579 CA VAL A 168 -9.818 5.864 -10.084 1.00 0.69 C ATOM 2580 C VAL A 168 -11.251 5.672 -10.590 1.00 0.77 C ATOM 2581 O VAL A 168 -11.464 5.157 -11.685 1.00 0.89 O ATOM 2582 CB VAL A 168 -9.430 4.700 -9.151 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -9.572 3.372 -9.859 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -8.009 4.879 -8.630 1.00 0.66 C ATOM 0 H VAL A 168 -9.522 7.042 -8.393 1.00 0.61 H new ATOM 0 HA VAL A 168 -9.143 5.870 -10.939 1.00 0.69 H new ATOM 0 HB VAL A 168 -10.112 4.707 -8.301 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -9.293 2.566 -9.180 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -10.606 3.237 -10.176 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -8.920 3.354 -10.732 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -7.755 4.047 -7.973 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -7.314 4.904 -9.469 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -7.940 5.814 -8.074 1.00 0.66 H new