USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 880 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 151 SER OG : rot -160:sc= 0.0923 USER MOD Set 1.2: A 153 LYS NZ :NH3+ -173:sc= -0.0754 (180deg=-0.457) USER MOD Set 1.3: A 154 THR OG1 : rot 180:sc= 0.33 USER MOD Set 2.1: A 19 HIS : no HD1:sc= -3.88! C(o=-3.7!,f=-8!) USER MOD Set 2.2: A 96 THR OG1 : rot -100:sc= 0.154 USER MOD Set 3.1: A 49 GLN : amide:sc= 0.164 X(o=0.33,f=0.038) USER MOD Set 3.2: A 58 THR OG1 : rot -71:sc= 0.167 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.991 K(o=-0.99,f=-4.1!) USER MOD Single : A 21 LYS NZ :NH3+ -116:sc= -0.215 (180deg=-1.4) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -22:sc= 0.118 USER MOD Single : A 30 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.0028) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 100:sc= 0.101 USER MOD Single : A 93 MET CE :methyl 162:sc= -0.701 (180deg=-1.82!) USER MOD Single : A 95 GLN : amide:sc= -1.88! K(o=-1.9!,f=-0.26) USER MOD Single : A 101 ASN : amide:sc= -1.09! K(o=-1.1!,f=-0.13) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= 0.0841 X(o=0.084,f=0) USER MOD Single : A 115 ASN : amide:sc= 0.0295 K(o=0.03,f=-2.7!) USER MOD Single : A 116 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0492) USER MOD Single : A 117 MET CE :methyl -167:sc= -2.37 (180deg=-2.63) USER MOD Single : A 123 ASN : amide:sc= -2.15! X(o=-2.2!,f=-2.2) USER MOD Single : A 128 MET CE :methyl -132:sc= -2.73! (180deg=-3.24!) USER MOD Single : A 129 GLN : amide:sc= -0.0399 X(o=-0.04,f=0) USER MOD Single : A 132 MET CE :methyl 154:sc= -2.28! (180deg=-5.48!) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 145 THR OG1 : rot -67:sc= -2.56! USER MOD Single : A 148 CYS SG : rot 180:sc= -2.31! USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ -164:sc= -0.04 (180deg=-0.275) USER MOD Single : A 160 HIS : no HE2:sc= 0.689 K(o=0.69,f=-2.2!) USER MOD Single : A 164 MET CE :methyl 136:sc= -2.34! (180deg=-5.37!) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 11 -13.684 3.244 -5.650 1.00 0.67 N ATOM 156 CA VAL A 11 -12.293 3.214 -5.250 1.00 0.60 C ATOM 157 C VAL A 11 -12.170 2.450 -3.937 1.00 0.56 C ATOM 158 O VAL A 11 -12.148 3.036 -2.854 1.00 0.74 O ATOM 159 CB VAL A 11 -11.728 4.641 -5.098 1.00 0.61 C ATOM 160 CG1 VAL A 11 -10.213 4.622 -5.056 1.00 1.00 C ATOM 161 CG2 VAL A 11 -12.215 5.528 -6.232 1.00 0.98 C ATOM 0 HA VAL A 11 -11.712 2.711 -6.023 1.00 0.60 H new ATOM 0 HB VAL A 11 -12.089 5.050 -4.154 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -9.839 5.640 -4.948 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -9.880 4.022 -4.209 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -9.829 4.190 -5.980 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -11.807 6.531 -6.110 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -11.884 5.115 -7.185 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -13.304 5.574 -6.216 1.00 0.98 H new ATOM 171 N THR A 12 -12.119 1.134 -4.051 1.00 0.46 N ATOM 172 CA THR A 12 -12.131 0.256 -2.898 1.00 0.45 C ATOM 173 C THR A 12 -10.763 0.219 -2.233 1.00 0.39 C ATOM 174 O THR A 12 -9.758 -0.100 -2.872 1.00 0.43 O ATOM 175 CB THR A 12 -12.544 -1.171 -3.309 1.00 0.55 C ATOM 176 OG1 THR A 12 -13.741 -1.121 -4.101 1.00 0.66 O ATOM 177 CG2 THR A 12 -12.778 -2.051 -2.090 1.00 0.62 C ATOM 0 H THR A 12 -12.068 0.646 -4.945 1.00 0.46 H new ATOM 0 HA THR A 12 -12.858 0.648 -2.187 1.00 0.45 H new ATOM 0 HB THR A 12 -11.731 -1.603 -3.893 1.00 0.55 H new ATOM 0 HG1 THR A 12 -13.999 -2.030 -4.362 1.00 0.66 H new ATOM 0 HG21 THR A 12 -13.068 -3.051 -2.413 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.861 -2.111 -1.503 1.00 0.62 H new ATOM 0 HG23 THR A 12 -13.573 -1.623 -1.479 1.00 0.62 H new ATOM 185 N ILE A 13 -10.723 0.556 -0.956 1.00 0.39 N ATOM 186 CA ILE A 13 -9.480 0.537 -0.222 1.00 0.38 C ATOM 187 C ILE A 13 -9.244 -0.865 0.333 1.00 0.37 C ATOM 188 O ILE A 13 -10.160 -1.524 0.827 1.00 0.51 O ATOM 189 CB ILE A 13 -9.455 1.594 0.910 1.00 0.50 C ATOM 190 CG1 ILE A 13 -8.020 1.842 1.384 1.00 0.86 C ATOM 191 CG2 ILE A 13 -10.320 1.154 2.077 1.00 0.80 C ATOM 192 CD1 ILE A 13 -7.894 2.987 2.369 1.00 1.03 C ATOM 0 H ILE A 13 -11.536 0.844 -0.412 1.00 0.39 H new ATOM 0 HA ILE A 13 -8.673 0.798 -0.907 1.00 0.38 H new ATOM 0 HB ILE A 13 -9.858 2.525 0.511 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -7.637 0.932 1.847 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -7.391 2.048 0.518 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -10.287 1.912 2.860 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -11.348 1.025 1.739 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -9.946 0.209 2.471 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -6.850 3.103 2.660 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -8.246 3.908 1.904 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -8.496 2.775 3.253 1.00 1.03 H new ATOM 204 N MET A 14 -8.025 -1.329 0.193 1.00 0.31 N ATOM 205 CA MET A 14 -7.653 -2.673 0.621 1.00 0.35 C ATOM 206 C MET A 14 -6.270 -2.679 1.254 1.00 0.29 C ATOM 207 O MET A 14 -5.668 -1.631 1.453 1.00 0.46 O ATOM 208 CB MET A 14 -7.673 -3.643 -0.565 1.00 0.56 C ATOM 209 CG MET A 14 -9.064 -4.109 -0.959 1.00 0.75 C ATOM 210 SD MET A 14 -9.035 -5.267 -2.341 1.00 1.04 S ATOM 211 CE MET A 14 -10.667 -5.985 -2.208 1.00 0.77 C ATOM 0 H MET A 14 -7.260 -0.795 -0.218 1.00 0.31 H new ATOM 0 HA MET A 14 -8.383 -2.997 1.363 1.00 0.35 H new ATOM 0 HB2 MET A 14 -7.206 -3.161 -1.424 1.00 0.56 H new ATOM 0 HB3 MET A 14 -7.065 -4.514 -0.319 1.00 0.56 H new ATOM 0 HG2 MET A 14 -9.542 -4.583 -0.102 1.00 0.75 H new ATOM 0 HG3 MET A 14 -9.672 -3.244 -1.226 1.00 0.75 H new ATOM 0 HE1 MET A 14 -10.805 -6.724 -2.997 1.00 0.77 H new ATOM 0 HE2 MET A 14 -10.774 -6.467 -1.236 1.00 0.77 H new ATOM 0 HE3 MET A 14 -11.418 -5.202 -2.310 1.00 0.77 H new ATOM 221 N GLY A 15 -5.794 -3.865 1.597 1.00 0.34 N ATOM 222 CA GLY A 15 -4.455 -4.030 2.095 1.00 0.45 C ATOM 223 C GLY A 15 -4.430 -5.079 3.171 1.00 0.62 C ATOM 224 O GLY A 15 -4.461 -6.272 2.896 1.00 1.55 O ATOM 0 H GLY A 15 -6.329 -4.731 1.535 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -3.789 -4.317 1.281 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -4.086 -3.083 2.490 1.00 0.45 H new ATOM 228 N HIS A 16 -4.436 -4.620 4.397 1.00 0.51 N ATOM 229 CA HIS A 16 -4.490 -5.487 5.556 1.00 0.45 C ATOM 230 C HIS A 16 -5.066 -4.707 6.734 1.00 0.49 C ATOM 231 O HIS A 16 -5.010 -3.474 6.742 1.00 0.64 O ATOM 232 CB HIS A 16 -3.099 -6.057 5.880 1.00 0.43 C ATOM 233 CG HIS A 16 -3.001 -6.716 7.223 1.00 0.48 C ATOM 234 ND1 HIS A 16 -3.844 -7.740 7.584 1.00 0.62 N ATOM 235 CD2 HIS A 16 -2.178 -6.440 8.257 1.00 0.50 C ATOM 236 CE1 HIS A 16 -3.515 -8.058 8.822 1.00 0.66 C ATOM 237 NE2 HIS A 16 -2.515 -7.294 9.272 1.00 0.59 N ATOM 0 H HIS A 16 -4.403 -3.626 4.625 1.00 0.51 H new ATOM 0 HA HIS A 16 -5.139 -6.337 5.346 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -2.828 -6.781 5.112 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -2.368 -5.250 5.830 1.00 0.43 H new ATOM 0 HD2 HIS A 16 -1.402 -5.689 8.279 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -3.993 -8.836 9.398 1.00 0.66 H new ATOM 0 HE2 HIS A 16 -2.085 -7.339 10.196 1.00 0.59 H new ATOM 245 N VAL A 17 -5.635 -5.406 7.701 1.00 0.53 N ATOM 246 CA VAL A 17 -6.326 -4.758 8.806 1.00 0.67 C ATOM 247 C VAL A 17 -5.376 -3.894 9.635 1.00 0.64 C ATOM 248 O VAL A 17 -5.588 -2.687 9.780 1.00 0.78 O ATOM 249 CB VAL A 17 -7.001 -5.797 9.727 1.00 0.87 C ATOM 250 CG1 VAL A 17 -7.858 -5.108 10.782 1.00 1.55 C ATOM 251 CG2 VAL A 17 -7.829 -6.777 8.910 1.00 1.62 C ATOM 0 H VAL A 17 -5.633 -6.425 7.745 1.00 0.53 H new ATOM 0 HA VAL A 17 -7.090 -4.117 8.366 1.00 0.67 H new ATOM 0 HB VAL A 17 -6.221 -6.358 10.242 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -8.324 -5.859 11.420 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -7.232 -4.454 11.389 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -8.632 -4.517 10.293 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -8.297 -7.502 9.576 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -8.601 -6.234 8.364 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -7.183 -7.298 8.203 1.00 1.62 H new ATOM 261 N ASP A 18 -4.313 -4.507 10.137 1.00 0.57 N ATOM 262 CA ASP A 18 -3.429 -3.851 11.101 1.00 0.61 C ATOM 263 C ASP A 18 -2.509 -2.825 10.440 1.00 0.56 C ATOM 264 O ASP A 18 -1.962 -1.954 11.118 1.00 0.69 O ATOM 265 CB ASP A 18 -2.597 -4.896 11.844 1.00 0.69 C ATOM 266 CG ASP A 18 -1.873 -4.314 13.043 1.00 1.06 C ATOM 267 OD1 ASP A 18 -2.525 -4.104 14.087 1.00 1.17 O ATOM 268 OD2 ASP A 18 -0.649 -4.075 12.952 1.00 1.78 O ATOM 0 H ASP A 18 -4.038 -5.459 9.895 1.00 0.57 H new ATOM 0 HA ASP A 18 -4.062 -3.313 11.807 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -3.247 -5.706 12.174 1.00 0.69 H new ATOM 0 HB3 ASP A 18 -1.869 -5.330 11.159 1.00 0.69 H new ATOM 273 N HIS A 19 -2.343 -2.918 9.121 1.00 0.46 N ATOM 274 CA HIS A 19 -1.502 -1.972 8.388 1.00 0.48 C ATOM 275 C HIS A 19 -1.981 -0.541 8.594 1.00 0.58 C ATOM 276 O HIS A 19 -1.178 0.389 8.698 1.00 0.65 O ATOM 277 CB HIS A 19 -1.477 -2.300 6.893 1.00 0.46 C ATOM 278 CG HIS A 19 -0.387 -3.246 6.494 1.00 0.40 C ATOM 279 ND1 HIS A 19 -0.486 -4.014 5.359 1.00 0.60 N ATOM 280 CD2 HIS A 19 0.810 -3.486 7.085 1.00 0.56 C ATOM 281 CE1 HIS A 19 0.643 -4.692 5.280 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.458 -4.407 6.304 1.00 0.48 N ATOM 0 H HIS A 19 -2.777 -3.635 8.540 1.00 0.46 H new ATOM 0 HA HIS A 19 -0.490 -2.063 8.782 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -2.438 -2.729 6.610 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -1.364 -1.373 6.330 1.00 0.46 H new ATOM 0 HD2 HIS A 19 1.181 -3.038 7.995 1.00 0.56 H new ATOM 0 HE1 HIS A 19 0.880 -5.389 4.490 1.00 0.53 H new ATOM 0 HE2 HIS A 19 2.384 -4.800 6.471 1.00 0.48 H new ATOM 290 N GLY A 20 -3.294 -0.372 8.661 1.00 0.76 N ATOM 291 CA GLY A 20 -3.844 0.926 8.974 1.00 0.90 C ATOM 292 C GLY A 20 -4.878 1.400 7.977 1.00 0.81 C ATOM 293 O GLY A 20 -4.715 2.451 7.368 1.00 0.93 O ATOM 0 H GLY A 20 -3.983 -1.108 8.505 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -4.296 0.891 9.965 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -3.034 1.654 9.019 1.00 0.90 H new ATOM 297 N LYS A 21 -5.951 0.637 7.809 1.00 0.79 N ATOM 298 CA LYS A 21 -7.043 1.070 6.948 1.00 0.87 C ATOM 299 C LYS A 21 -8.014 1.914 7.748 1.00 0.89 C ATOM 300 O LYS A 21 -8.549 2.907 7.256 1.00 0.93 O ATOM 301 CB LYS A 21 -7.790 -0.110 6.328 1.00 1.09 C ATOM 302 CG LYS A 21 -6.935 -0.980 5.422 1.00 1.20 C ATOM 303 CD LYS A 21 -7.774 -1.917 4.556 1.00 1.39 C ATOM 304 CE LYS A 21 -8.607 -2.897 5.375 1.00 1.73 C ATOM 305 NZ LYS A 21 -9.905 -2.317 5.820 1.00 2.11 N ATOM 0 H LYS A 21 -6.088 -0.272 8.251 1.00 0.79 H new ATOM 0 HA LYS A 21 -6.610 1.654 6.135 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -8.198 -0.728 7.128 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -8.636 0.270 5.756 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -6.326 -0.343 4.780 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -6.248 -1.569 6.030 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -8.436 -1.324 3.925 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -7.115 -2.476 3.891 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -8.798 -3.790 4.780 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -8.036 -3.211 6.248 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -9.922 -2.260 6.858 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -10.015 -1.364 5.419 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -10.686 -2.922 5.494 1.00 2.11 H new ATOM 319 N THR A 22 -8.211 1.526 8.998 1.00 0.92 N ATOM 320 CA THR A 22 -9.139 2.213 9.872 1.00 1.00 C ATOM 321 C THR A 22 -8.606 3.595 10.214 1.00 0.99 C ATOM 322 O THR A 22 -9.332 4.582 10.148 1.00 1.03 O ATOM 323 CB THR A 22 -9.380 1.407 11.166 1.00 1.10 C ATOM 324 OG1 THR A 22 -9.689 0.046 10.833 1.00 1.80 O ATOM 325 CG2 THR A 22 -10.521 2.008 11.977 1.00 1.65 C ATOM 0 H THR A 22 -7.736 0.733 9.429 1.00 0.92 H new ATOM 0 HA THR A 22 -10.090 2.313 9.349 1.00 1.00 H new ATOM 0 HB THR A 22 -8.473 1.443 11.770 1.00 1.10 H new ATOM 0 HG1 THR A 22 -9.840 -0.466 11.655 1.00 1.80 H new ATOM 0 HG21 THR A 22 -10.671 1.422 12.884 1.00 1.65 H new ATOM 0 HG22 THR A 22 -10.275 3.035 12.245 1.00 1.65 H new ATOM 0 HG23 THR A 22 -11.435 1.997 11.383 1.00 1.65 H new ATOM 333 N THR A 23 -7.323 3.663 10.538 1.00 0.99 N ATOM 334 CA THR A 23 -6.689 4.930 10.853 1.00 1.02 C ATOM 335 C THR A 23 -6.532 5.774 9.592 1.00 0.96 C ATOM 336 O THR A 23 -6.320 6.983 9.670 1.00 0.96 O ATOM 337 CB THR A 23 -5.313 4.733 11.533 1.00 1.12 C ATOM 338 OG1 THR A 23 -4.793 5.998 11.964 1.00 1.77 O ATOM 339 CG2 THR A 23 -4.316 4.070 10.593 1.00 1.41 C ATOM 0 H THR A 23 -6.703 2.855 10.589 1.00 0.99 H new ATOM 0 HA THR A 23 -7.337 5.451 11.558 1.00 1.02 H new ATOM 0 HB THR A 23 -5.459 4.080 12.394 1.00 1.12 H new ATOM 0 HG1 THR A 23 -5.215 6.718 11.449 1.00 1.77 H new ATOM 0 HG21 THR A 23 -3.361 3.947 11.104 1.00 1.41 H new ATOM 0 HG22 THR A 23 -4.694 3.093 10.291 1.00 1.41 H new ATOM 0 HG23 THR A 23 -4.178 4.694 9.710 1.00 1.41 H new ATOM 347 N LEU A 24 -6.647 5.135 8.431 1.00 0.96 N ATOM 348 CA LEU A 24 -6.565 5.850 7.171 1.00 0.96 C ATOM 349 C LEU A 24 -7.913 6.491 6.874 1.00 0.89 C ATOM 350 O LEU A 24 -7.999 7.697 6.664 1.00 0.91 O ATOM 351 CB LEU A 24 -6.143 4.898 6.043 1.00 1.06 C ATOM 352 CG LEU A 24 -5.585 5.561 4.775 1.00 0.88 C ATOM 353 CD1 LEU A 24 -4.836 4.542 3.933 1.00 1.78 C ATOM 354 CD2 LEU A 24 -6.696 6.192 3.951 1.00 1.57 C ATOM 0 H LEU A 24 -6.796 4.130 8.341 1.00 0.96 H new ATOM 0 HA LEU A 24 -5.810 6.633 7.241 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -5.389 4.215 6.434 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -7.006 4.293 5.763 1.00 1.06 H new ATOM 0 HG LEU A 24 -4.897 6.348 5.085 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -4.446 5.026 3.038 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -4.010 4.129 4.511 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -5.514 3.739 3.645 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -6.271 6.654 3.060 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -7.411 5.424 3.656 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -7.204 6.951 4.546 1.00 1.57 H new ATOM 366 N LEU A 25 -8.966 5.679 6.891 1.00 0.88 N ATOM 367 CA LEU A 25 -10.316 6.163 6.628 1.00 0.91 C ATOM 368 C LEU A 25 -10.738 7.153 7.714 1.00 0.89 C ATOM 369 O LEU A 25 -11.419 8.129 7.434 1.00 0.92 O ATOM 370 CB LEU A 25 -11.293 4.983 6.574 1.00 1.02 C ATOM 371 CG LEU A 25 -12.397 5.074 5.508 1.00 1.21 C ATOM 372 CD1 LEU A 25 -13.307 6.268 5.756 1.00 1.76 C ATOM 373 CD2 LEU A 25 -11.789 5.151 4.115 1.00 1.96 C ATOM 0 H LEU A 25 -8.909 4.679 7.085 1.00 0.88 H new ATOM 0 HA LEU A 25 -10.330 6.674 5.665 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -10.722 4.071 6.401 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -11.766 4.882 7.551 1.00 1.02 H new ATOM 0 HG LEU A 25 -13.002 4.170 5.577 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -14.077 6.305 4.985 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -13.777 6.170 6.735 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -12.720 7.186 5.726 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -12.585 5.215 3.373 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -11.155 6.034 4.043 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -11.191 4.259 3.929 1.00 1.96 H new ATOM 385 N ASP A 26 -10.321 6.909 8.951 1.00 0.91 N ATOM 386 CA ASP A 26 -10.630 7.819 10.055 1.00 0.96 C ATOM 387 C ASP A 26 -10.020 9.197 9.829 1.00 0.92 C ATOM 388 O ASP A 26 -10.721 10.208 9.847 1.00 0.95 O ATOM 389 CB ASP A 26 -10.139 7.257 11.376 1.00 1.05 C ATOM 390 CG ASP A 26 -10.295 8.238 12.524 1.00 1.21 C ATOM 391 OD1 ASP A 26 -11.378 8.268 13.148 1.00 1.35 O ATOM 392 OD2 ASP A 26 -9.335 8.988 12.807 1.00 1.38 O ATOM 0 H ASP A 26 -9.770 6.093 9.217 1.00 0.91 H new ATOM 0 HA ASP A 26 -11.715 7.921 10.092 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -10.690 6.345 11.605 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -9.089 6.980 11.280 1.00 1.05 H new ATOM 397 N ALA A 27 -8.713 9.229 9.600 1.00 0.89 N ATOM 398 CA ALA A 27 -7.997 10.483 9.398 1.00 0.89 C ATOM 399 C ALA A 27 -8.444 11.165 8.111 1.00 0.85 C ATOM 400 O ALA A 27 -8.520 12.392 8.037 1.00 0.90 O ATOM 401 CB ALA A 27 -6.501 10.226 9.372 1.00 0.91 C ATOM 0 H ALA A 27 -8.125 8.397 9.549 1.00 0.89 H new ATOM 0 HA ALA A 27 -8.228 11.151 10.228 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -5.973 11.167 9.221 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -6.191 9.784 10.319 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -6.263 9.542 8.557 1.00 0.91 H new ATOM 407 N ILE A 28 -8.749 10.356 7.108 1.00 0.82 N ATOM 408 CA ILE A 28 -9.199 10.850 5.818 1.00 0.83 C ATOM 409 C ILE A 28 -10.634 11.385 5.933 1.00 0.88 C ATOM 410 O ILE A 28 -11.024 12.324 5.240 1.00 0.94 O ATOM 411 CB ILE A 28 -9.091 9.719 4.761 1.00 0.86 C ATOM 412 CG1 ILE A 28 -8.694 10.263 3.393 1.00 0.99 C ATOM 413 CG2 ILE A 28 -10.388 8.932 4.642 1.00 1.56 C ATOM 414 CD1 ILE A 28 -8.315 9.161 2.429 1.00 0.95 C ATOM 0 H ILE A 28 -8.691 9.339 7.166 1.00 0.82 H new ATOM 0 HA ILE A 28 -8.564 11.675 5.496 1.00 0.83 H new ATOM 0 HB ILE A 28 -8.308 9.046 5.109 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -9.522 10.838 2.978 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -7.855 10.949 3.506 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -10.271 8.150 3.892 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -10.629 8.479 5.604 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -11.194 9.602 4.345 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -8.040 9.597 1.468 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -7.469 8.602 2.830 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -9.162 8.489 2.293 1.00 0.95 H new ATOM 426 N ARG A 29 -11.397 10.792 6.847 1.00 0.93 N ATOM 427 CA ARG A 29 -12.746 11.248 7.167 1.00 1.04 C ATOM 428 C ARG A 29 -12.684 12.533 7.985 1.00 1.08 C ATOM 429 O ARG A 29 -13.545 13.401 7.865 1.00 1.17 O ATOM 430 CB ARG A 29 -13.488 10.135 7.928 1.00 1.16 C ATOM 431 CG ARG A 29 -14.424 10.612 9.027 1.00 1.33 C ATOM 432 CD ARG A 29 -15.723 11.182 8.483 1.00 1.58 C ATOM 433 NE ARG A 29 -16.538 11.736 9.558 1.00 2.13 N ATOM 434 CZ ARG A 29 -17.773 11.333 9.849 1.00 2.85 C ATOM 435 NH1 ARG A 29 -18.375 10.410 9.103 1.00 3.29 N ATOM 436 NH2 ARG A 29 -18.407 11.857 10.886 1.00 3.56 N ATOM 0 H ARG A 29 -11.097 9.981 7.387 1.00 0.93 H new ATOM 0 HA ARG A 29 -13.292 11.466 6.249 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -14.064 9.550 7.211 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -12.750 9.464 8.368 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -14.648 9.780 9.694 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -13.920 11.372 9.624 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -15.505 11.958 7.749 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -16.279 10.401 7.965 1.00 1.58 H new ATOM 0 HE ARG A 29 -16.135 12.482 10.125 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -17.890 10.006 8.302 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -19.321 10.106 9.332 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -17.949 12.566 11.458 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -19.353 11.551 11.113 1.00 3.56 H new ATOM 450 N HIS A 30 -11.654 12.647 8.812 1.00 1.05 N ATOM 451 CA HIS A 30 -11.434 13.845 9.605 1.00 1.13 C ATOM 452 C HIS A 30 -10.945 14.985 8.724 1.00 1.15 C ATOM 453 O HIS A 30 -10.888 16.140 9.147 1.00 1.32 O ATOM 454 CB HIS A 30 -10.440 13.567 10.716 1.00 1.23 C ATOM 455 CG HIS A 30 -11.004 12.778 11.842 1.00 1.70 C ATOM 456 ND1 HIS A 30 -10.247 12.241 12.856 1.00 2.44 N ATOM 457 CD2 HIS A 30 -12.269 12.435 12.097 1.00 2.01 C ATOM 458 CE1 HIS A 30 -11.037 11.596 13.692 1.00 2.88 C ATOM 459 NE2 HIS A 30 -12.278 11.694 13.253 1.00 2.60 N ATOM 0 H HIS A 30 -10.954 11.918 8.950 1.00 1.05 H new ATOM 0 HA HIS A 30 -12.381 14.141 10.055 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -9.586 13.031 10.301 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -10.065 14.515 11.101 1.00 1.23 H new ATOM 0 HD2 HIS A 30 -13.131 12.694 11.500 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -10.722 11.076 14.585 1.00 2.88 H new ATOM 0 HE2 HIS A 30 -13.102 11.289 13.696 1.00 2.60 H new ATOM 468 N SER A 31 -10.573 14.644 7.502 1.00 1.07 N ATOM 469 CA SER A 31 -10.212 15.632 6.508 1.00 1.19 C ATOM 470 C SER A 31 -11.451 15.976 5.682 1.00 1.32 C ATOM 471 O SER A 31 -11.901 17.121 5.703 1.00 1.76 O ATOM 472 CB SER A 31 -9.085 15.099 5.617 1.00 1.15 C ATOM 473 OG SER A 31 -8.534 16.129 4.815 1.00 1.50 O ATOM 0 H SER A 31 -10.514 13.680 7.175 1.00 1.07 H new ATOM 0 HA SER A 31 -9.848 16.536 6.996 1.00 1.19 H new ATOM 0 HB2 SER A 31 -8.304 14.661 6.238 1.00 1.15 H new ATOM 0 HB3 SER A 31 -9.468 14.303 4.978 1.00 1.15 H new ATOM 0 HG SER A 31 -7.816 15.761 4.258 1.00 1.50 H new ATOM 706 N TYR A 48 -17.415 7.680 2.380 1.00 1.05 N ATOM 707 CA TYR A 48 -17.571 9.041 1.924 1.00 1.04 C ATOM 708 C TYR A 48 -17.174 9.099 0.451 1.00 0.91 C ATOM 709 O TYR A 48 -16.437 8.236 -0.030 1.00 0.86 O ATOM 710 CB TYR A 48 -16.708 9.985 2.763 1.00 1.16 C ATOM 711 CG TYR A 48 -15.246 9.913 2.430 1.00 1.12 C ATOM 712 CD1 TYR A 48 -14.419 8.960 3.002 1.00 1.34 C ATOM 713 CD2 TYR A 48 -14.704 10.802 1.521 1.00 1.31 C ATOM 714 CE1 TYR A 48 -13.085 8.897 2.678 1.00 1.77 C ATOM 715 CE2 TYR A 48 -13.369 10.745 1.185 1.00 1.73 C ATOM 716 CZ TYR A 48 -12.563 9.791 1.766 1.00 1.96 C ATOM 717 OH TYR A 48 -11.238 9.727 1.425 1.00 2.54 O ATOM 0 HA TYR A 48 -18.607 9.361 2.036 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -17.056 11.008 2.618 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -16.844 9.748 3.818 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -14.828 8.257 3.712 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -15.336 11.552 1.068 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -12.449 8.153 3.134 1.00 1.77 H new ATOM 0 HE2 TYR A 48 -12.957 11.443 0.471 1.00 1.73 H new ATOM 0 HH TYR A 48 -11.142 9.255 0.571 1.00 2.54 H new ATOM 727 N GLN A 49 -17.663 10.093 -0.263 1.00 1.01 N ATOM 728 CA GLN A 49 -17.346 10.233 -1.671 1.00 1.00 C ATOM 729 C GLN A 49 -16.625 11.546 -1.930 1.00 1.11 C ATOM 730 O GLN A 49 -16.978 12.586 -1.366 1.00 1.34 O ATOM 731 CB GLN A 49 -18.614 10.135 -2.517 1.00 1.16 C ATOM 732 CG GLN A 49 -19.275 8.769 -2.451 1.00 1.18 C ATOM 733 CD GLN A 49 -20.538 8.690 -3.278 1.00 1.42 C ATOM 734 OE1 GLN A 49 -20.498 8.358 -4.459 1.00 1.80 O ATOM 735 NE2 GLN A 49 -21.665 8.999 -2.662 1.00 1.96 N ATOM 0 H GLN A 49 -18.281 10.815 0.108 1.00 1.01 H new ATOM 0 HA GLN A 49 -16.680 9.419 -1.957 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -19.324 10.891 -2.184 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -18.369 10.363 -3.554 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -18.571 8.012 -2.798 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -19.510 8.534 -1.413 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -21.651 9.270 -1.679 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -22.549 8.967 -3.170 1.00 1.96 H new ATOM 744 N VAL A 50 -15.602 11.480 -2.768 1.00 1.04 N ATOM 745 CA VAL A 50 -14.793 12.643 -3.079 1.00 1.18 C ATOM 746 C VAL A 50 -15.331 13.369 -4.296 1.00 1.28 C ATOM 747 O VAL A 50 -15.897 12.770 -5.215 1.00 1.38 O ATOM 748 CB VAL A 50 -13.311 12.273 -3.306 1.00 1.24 C ATOM 749 CG1 VAL A 50 -12.463 13.490 -3.648 1.00 1.93 C ATOM 750 CG2 VAL A 50 -12.759 11.590 -2.078 1.00 1.59 C ATOM 0 H VAL A 50 -15.313 10.627 -3.246 1.00 1.04 H new ATOM 0 HA VAL A 50 -14.848 13.304 -2.214 1.00 1.18 H new ATOM 0 HB VAL A 50 -13.268 11.594 -4.158 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -11.428 13.182 -3.799 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -12.841 13.952 -4.560 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -12.512 14.209 -2.830 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -11.713 11.332 -2.245 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -12.835 12.262 -1.223 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -13.330 10.683 -1.879 1.00 1.59 H new ATOM 860 N ILE A 57 -15.455 9.691 -6.631 1.00 1.14 N ATOM 861 CA ILE A 57 -14.654 8.757 -5.853 1.00 0.88 C ATOM 862 C ILE A 57 -15.426 8.199 -4.663 1.00 0.85 C ATOM 863 O ILE A 57 -15.604 8.883 -3.658 1.00 0.97 O ATOM 864 CB ILE A 57 -13.358 9.409 -5.337 1.00 0.80 C ATOM 865 CG1 ILE A 57 -12.566 10.044 -6.482 1.00 0.86 C ATOM 866 CG2 ILE A 57 -12.515 8.368 -4.625 1.00 0.87 C ATOM 867 CD1 ILE A 57 -11.322 10.775 -6.019 1.00 0.86 C ATOM 0 HA ILE A 57 -14.403 7.941 -6.531 1.00 0.88 H new ATOM 0 HB ILE A 57 -13.622 10.201 -4.637 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -12.279 9.267 -7.191 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -13.211 10.741 -7.017 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -11.598 8.830 -4.260 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -13.075 7.960 -3.784 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -12.266 7.565 -5.319 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -10.808 11.201 -6.881 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -11.604 11.574 -5.333 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -10.658 10.077 -5.510 1.00 0.86 H new ATOM 879 N THR A 58 -15.883 6.964 -4.783 1.00 0.80 N ATOM 880 CA THR A 58 -16.527 6.279 -3.673 1.00 0.80 C ATOM 881 C THR A 58 -15.507 5.429 -2.911 1.00 0.73 C ATOM 882 O THR A 58 -15.051 4.403 -3.412 1.00 0.85 O ATOM 883 CB THR A 58 -17.667 5.372 -4.174 1.00 0.88 C ATOM 884 OG1 THR A 58 -18.500 6.094 -5.092 1.00 1.11 O ATOM 885 CG2 THR A 58 -18.508 4.865 -3.012 1.00 1.28 C ATOM 0 H THR A 58 -15.820 6.414 -5.639 1.00 0.80 H new ATOM 0 HA THR A 58 -16.942 7.037 -3.008 1.00 0.80 H new ATOM 0 HB THR A 58 -17.223 4.515 -4.681 1.00 0.88 H new ATOM 0 HG1 THR A 58 -19.020 6.766 -4.603 1.00 1.11 H new ATOM 0 HG21 THR A 58 -19.306 4.227 -3.392 1.00 1.28 H new ATOM 0 HG22 THR A 58 -17.879 4.293 -2.330 1.00 1.28 H new ATOM 0 HG23 THR A 58 -18.942 5.712 -2.480 1.00 1.28 H new ATOM 893 N PHE A 59 -15.142 5.865 -1.710 1.00 0.65 N ATOM 894 CA PHE A 59 -14.174 5.139 -0.889 1.00 0.64 C ATOM 895 C PHE A 59 -14.835 3.985 -0.145 1.00 0.73 C ATOM 896 O PHE A 59 -15.357 4.160 0.949 1.00 0.83 O ATOM 897 CB PHE A 59 -13.510 6.079 0.122 1.00 0.64 C ATOM 898 CG PHE A 59 -12.211 6.667 -0.346 1.00 0.60 C ATOM 899 CD1 PHE A 59 -12.184 7.615 -1.353 1.00 0.80 C ATOM 900 CD2 PHE A 59 -11.016 6.271 0.231 1.00 0.75 C ATOM 901 CE1 PHE A 59 -10.987 8.156 -1.779 1.00 0.84 C ATOM 902 CE2 PHE A 59 -9.817 6.809 -0.190 1.00 0.79 C ATOM 903 CZ PHE A 59 -9.801 7.753 -1.196 1.00 0.70 C ATOM 0 H PHE A 59 -15.501 6.718 -1.281 1.00 0.65 H new ATOM 0 HA PHE A 59 -13.416 4.735 -1.560 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -14.200 6.890 0.355 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -13.336 5.533 1.049 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -13.108 7.935 -1.811 1.00 0.80 H new ATOM 0 HD2 PHE A 59 -11.022 5.533 1.019 1.00 0.75 H new ATOM 0 HE1 PHE A 59 -10.978 8.894 -2.568 1.00 0.84 H new ATOM 0 HE2 PHE A 59 -8.892 6.491 0.268 1.00 0.79 H new ATOM 0 HZ PHE A 59 -8.864 8.176 -1.527 1.00 0.70 H new ATOM 1221 N ILE A 81 -11.503 0.076 -8.476 1.00 0.74 N ATOM 1222 CA ILE A 81 -10.194 0.514 -8.002 1.00 0.55 C ATOM 1223 C ILE A 81 -9.771 -0.245 -6.753 1.00 0.47 C ATOM 1224 O ILE A 81 -10.559 -0.398 -5.822 1.00 0.63 O ATOM 1225 CB ILE A 81 -10.197 2.021 -7.690 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -10.588 2.819 -8.932 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -8.825 2.459 -7.195 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -9.575 2.701 -10.045 1.00 0.73 C ATOM 0 HA ILE A 81 -9.483 0.308 -8.802 1.00 0.55 H new ATOM 0 HB ILE A 81 -10.930 2.213 -6.907 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -11.557 2.473 -9.291 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -10.704 3.869 -8.662 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -8.840 3.527 -6.978 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -8.572 1.908 -6.289 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -8.079 2.256 -7.963 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -9.905 3.288 -10.902 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -8.610 3.073 -9.700 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -9.477 1.656 -10.338 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.531 -0.723 -6.740 1.00 0.32 N ATOM 1241 CA VAL A 82 -7.987 -1.378 -5.574 1.00 0.30 C ATOM 1242 C VAL A 82 -6.848 -0.564 -4.969 1.00 0.25 C ATOM 1243 O VAL A 82 -5.755 -0.507 -5.531 1.00 0.28 O ATOM 1244 CB VAL A 82 -7.461 -2.766 -5.947 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -6.849 -3.431 -4.739 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -8.574 -3.615 -6.532 1.00 1.19 C ATOM 0 H VAL A 82 -7.889 -0.665 -7.530 1.00 0.32 H new ATOM 0 HA VAL A 82 -8.788 -1.468 -4.840 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.687 -2.658 -6.707 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -6.478 -4.418 -5.016 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -6.023 -2.824 -4.369 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -7.603 -3.533 -3.959 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -8.183 -4.599 -6.792 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -9.372 -3.724 -5.798 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -8.967 -3.133 -7.427 1.00 1.19 H new ATOM 1256 N ILE A 83 -7.099 0.069 -3.834 1.00 0.25 N ATOM 1257 CA ILE A 83 -6.044 0.793 -3.133 1.00 0.25 C ATOM 1258 C ILE A 83 -5.431 -0.104 -2.090 1.00 0.27 C ATOM 1259 O ILE A 83 -5.970 -0.254 -1.003 1.00 0.45 O ATOM 1260 CB ILE A 83 -6.551 2.050 -2.400 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -7.884 2.513 -2.973 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -5.515 3.161 -2.476 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -8.409 3.785 -2.339 1.00 1.32 C ATOM 0 H ILE A 83 -8.012 0.098 -3.381 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.328 1.099 -3.896 1.00 0.25 H new ATOM 0 HB ILE A 83 -6.708 1.796 -1.352 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -7.773 2.671 -4.046 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.621 1.721 -2.842 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -5.888 4.042 -1.954 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -4.588 2.827 -2.009 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -5.325 3.411 -3.520 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -9.361 4.054 -2.797 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -8.553 3.626 -1.270 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -7.692 4.591 -2.493 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.307 -0.674 -2.413 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.681 -1.650 -1.532 1.00 0.27 C ATOM 1277 C LEU A 84 -2.774 -0.971 -0.510 1.00 0.27 C ATOM 1278 O LEU A 84 -1.694 -0.494 -0.846 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.873 -2.640 -2.350 1.00 0.35 C ATOM 1280 CG LEU A 84 -2.313 -3.804 -1.570 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -3.408 -4.826 -1.328 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -1.140 -4.394 -2.321 1.00 1.33 C ATOM 0 H LEU A 84 -3.796 -0.489 -3.276 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.471 -2.174 -0.994 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.504 -3.028 -3.150 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -2.048 -2.109 -2.824 1.00 0.35 H new ATOM 0 HG LEU A 84 -1.951 -3.471 -0.597 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -3.003 -5.667 -0.765 1.00 1.33 H new ATOM 0 HD12 LEU A 84 -4.217 -4.365 -0.761 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -3.792 -5.181 -2.284 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -0.734 -5.235 -1.759 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -1.471 -4.738 -3.301 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -0.368 -3.634 -2.445 1.00 1.33 H new ATOM 1294 N VAL A 85 -3.213 -0.934 0.737 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.433 -0.318 1.796 1.00 0.28 C ATOM 1296 C VAL A 85 -1.328 -1.260 2.275 1.00 0.27 C ATOM 1297 O VAL A 85 -1.509 -2.478 2.347 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.320 0.107 2.996 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -3.703 -1.086 3.858 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -2.631 1.177 3.828 1.00 1.20 C ATOM 0 H VAL A 85 -4.106 -1.323 1.040 1.00 0.28 H new ATOM 0 HA VAL A 85 -1.980 0.581 1.377 1.00 0.28 H new ATOM 0 HB VAL A 85 -4.240 0.529 2.591 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -4.324 -0.750 4.689 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -4.259 -1.806 3.257 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.801 -1.558 4.247 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -3.273 1.458 4.663 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -1.687 0.789 4.211 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -2.438 2.052 3.208 1.00 1.20 H new ATOM 1310 N VAL A 86 -0.182 -0.672 2.561 1.00 0.25 N ATOM 1311 CA VAL A 86 0.962 -1.376 3.115 1.00 0.27 C ATOM 1312 C VAL A 86 1.610 -0.461 4.145 1.00 0.24 C ATOM 1313 O VAL A 86 0.969 0.474 4.620 1.00 0.26 O ATOM 1314 CB VAL A 86 1.997 -1.751 2.030 1.00 0.36 C ATOM 1315 CG1 VAL A 86 1.432 -2.771 1.059 1.00 1.12 C ATOM 1316 CG2 VAL A 86 2.466 -0.519 1.282 1.00 0.95 C ATOM 0 H VAL A 86 -0.016 0.323 2.413 1.00 0.25 H new ATOM 0 HA VAL A 86 0.621 -2.309 3.565 1.00 0.27 H new ATOM 0 HB VAL A 86 2.853 -2.199 2.534 1.00 0.36 H new ATOM 0 HG11 VAL A 86 2.184 -3.014 0.308 1.00 1.12 H new ATOM 0 HG12 VAL A 86 1.155 -3.675 1.601 1.00 1.12 H new ATOM 0 HG13 VAL A 86 0.550 -2.358 0.569 1.00 1.12 H new ATOM 0 HG21 VAL A 86 3.194 -0.809 0.524 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.614 -0.038 0.802 1.00 0.95 H new ATOM 0 HG23 VAL A 86 2.928 0.177 1.982 1.00 0.95 H new ATOM 1326 N ALA A 87 2.860 -0.700 4.489 1.00 0.28 N ATOM 1327 CA ALA A 87 3.537 0.174 5.431 1.00 0.32 C ATOM 1328 C ALA A 87 5.006 0.344 5.083 1.00 0.46 C ATOM 1329 O ALA A 87 5.621 -0.570 4.535 1.00 0.75 O ATOM 1330 CB ALA A 87 3.374 -0.342 6.850 1.00 0.42 C ATOM 0 H ALA A 87 3.421 -1.477 4.139 1.00 0.28 H new ATOM 0 HA ALA A 87 3.071 1.157 5.364 1.00 0.32 H new ATOM 0 HB1 ALA A 87 3.888 0.326 7.541 1.00 0.42 H new ATOM 0 HB2 ALA A 87 2.315 -0.381 7.103 1.00 0.42 H new ATOM 0 HB3 ALA A 87 3.802 -1.341 6.925 1.00 0.42 H new ATOM 1336 N ALA A 88 5.532 1.532 5.396 1.00 0.37 N ATOM 1337 CA ALA A 88 6.931 1.907 5.152 1.00 0.59 C ATOM 1338 C ALA A 88 7.900 0.738 5.331 1.00 0.53 C ATOM 1339 O ALA A 88 8.615 0.367 4.399 1.00 1.14 O ATOM 1340 CB ALA A 88 7.316 3.033 6.098 1.00 1.18 C ATOM 0 H ALA A 88 4.988 2.275 5.835 1.00 0.37 H new ATOM 0 HA ALA A 88 7.006 2.227 4.113 1.00 0.59 H new ATOM 0 HB1 ALA A 88 8.354 3.317 5.923 1.00 1.18 H new ATOM 0 HB2 ALA A 88 6.670 3.893 5.922 1.00 1.18 H new ATOM 0 HB3 ALA A 88 7.201 2.698 7.129 1.00 1.18 H new ATOM 1346 N ASP A 89 7.912 0.169 6.528 1.00 0.56 N ATOM 1347 CA ASP A 89 8.892 -0.848 6.887 1.00 0.93 C ATOM 1348 C ASP A 89 8.304 -2.259 6.831 1.00 0.85 C ATOM 1349 O ASP A 89 9.042 -3.239 6.921 1.00 1.24 O ATOM 1350 CB ASP A 89 9.441 -0.568 8.293 1.00 1.44 C ATOM 1351 CG ASP A 89 8.378 -0.645 9.376 1.00 1.68 C ATOM 1352 OD1 ASP A 89 7.267 -0.112 9.166 1.00 1.90 O ATOM 1353 OD2 ASP A 89 8.645 -1.242 10.442 1.00 2.01 O ATOM 0 H ASP A 89 7.251 0.395 7.271 1.00 0.56 H new ATOM 0 HA ASP A 89 9.699 -0.799 6.156 1.00 0.93 H new ATOM 0 HB2 ASP A 89 10.231 -1.284 8.517 1.00 1.44 H new ATOM 0 HB3 ASP A 89 9.895 0.423 8.308 1.00 1.44 H new ATOM 1358 N ASP A 90 6.987 -2.373 6.676 1.00 0.48 N ATOM 1359 CA ASP A 90 6.345 -3.690 6.696 1.00 0.46 C ATOM 1360 C ASP A 90 6.331 -4.321 5.314 1.00 0.45 C ATOM 1361 O ASP A 90 6.751 -5.467 5.128 1.00 0.69 O ATOM 1362 CB ASP A 90 4.901 -3.619 7.206 1.00 0.52 C ATOM 1363 CG ASP A 90 4.432 -4.940 7.774 1.00 0.74 C ATOM 1364 OD1 ASP A 90 3.955 -5.794 6.995 1.00 1.09 O ATOM 1365 OD2 ASP A 90 4.551 -5.136 8.997 1.00 0.93 O ATOM 0 H ASP A 90 6.352 -1.587 6.538 1.00 0.48 H new ATOM 0 HA ASP A 90 6.937 -4.301 7.377 1.00 0.46 H new ATOM 0 HB2 ASP A 90 4.825 -2.848 7.973 1.00 0.52 H new ATOM 0 HB3 ASP A 90 4.243 -3.322 6.389 1.00 0.52 H new ATOM 1370 N GLY A 91 5.850 -3.556 4.350 1.00 0.36 N ATOM 1371 CA GLY A 91 5.622 -4.086 3.023 1.00 0.36 C ATOM 1372 C GLY A 91 4.263 -4.744 2.911 1.00 0.35 C ATOM 1373 O GLY A 91 3.269 -4.215 3.411 1.00 0.52 O ATOM 0 H GLY A 91 5.612 -2.571 4.463 1.00 0.36 H new ATOM 0 HA2 GLY A 91 5.699 -3.282 2.291 1.00 0.36 H new ATOM 0 HA3 GLY A 91 6.399 -4.811 2.782 1.00 0.36 H new ATOM 1377 N VAL A 92 4.224 -5.894 2.267 1.00 0.38 N ATOM 1378 CA VAL A 92 2.997 -6.615 2.023 1.00 0.37 C ATOM 1379 C VAL A 92 2.829 -7.772 3.008 1.00 0.36 C ATOM 1380 O VAL A 92 3.621 -8.719 3.020 1.00 0.47 O ATOM 1381 CB VAL A 92 3.009 -7.140 0.572 1.00 0.47 C ATOM 1382 CG1 VAL A 92 1.945 -8.180 0.342 1.00 1.08 C ATOM 1383 CG2 VAL A 92 2.839 -5.992 -0.403 1.00 1.06 C ATOM 0 H VAL A 92 5.054 -6.356 1.896 1.00 0.38 H new ATOM 0 HA VAL A 92 2.153 -5.940 2.166 1.00 0.37 H new ATOM 0 HB VAL A 92 3.975 -7.615 0.403 1.00 0.47 H new ATOM 0 HG11 VAL A 92 1.989 -8.523 -0.692 1.00 1.08 H new ATOM 0 HG12 VAL A 92 2.111 -9.024 1.011 1.00 1.08 H new ATOM 0 HG13 VAL A 92 0.964 -7.747 0.540 1.00 1.08 H new ATOM 0 HG21 VAL A 92 2.849 -6.376 -1.423 1.00 1.06 H new ATOM 0 HG22 VAL A 92 1.890 -5.491 -0.213 1.00 1.06 H new ATOM 0 HG23 VAL A 92 3.656 -5.282 -0.275 1.00 1.06 H new ATOM 1393 N MET A 93 1.818 -7.674 3.863 1.00 0.29 N ATOM 1394 CA MET A 93 1.452 -8.776 4.744 1.00 0.31 C ATOM 1395 C MET A 93 0.598 -9.790 3.986 1.00 0.31 C ATOM 1396 O MET A 93 0.188 -9.522 2.859 1.00 0.31 O ATOM 1397 CB MET A 93 0.711 -8.258 5.980 1.00 0.36 C ATOM 1398 CG MET A 93 1.639 -7.666 7.024 1.00 0.67 C ATOM 1399 SD MET A 93 0.852 -7.502 8.632 1.00 1.32 S ATOM 1400 CE MET A 93 0.411 -9.209 8.938 1.00 0.65 C ATOM 0 H MET A 93 1.237 -6.842 3.965 1.00 0.29 H new ATOM 0 HA MET A 93 2.363 -9.271 5.082 1.00 0.31 H new ATOM 0 HB2 MET A 93 -0.011 -7.501 5.673 1.00 0.36 H new ATOM 0 HB3 MET A 93 0.145 -9.076 6.427 1.00 0.36 H new ATOM 0 HG2 MET A 93 2.523 -8.296 7.119 1.00 0.67 H new ATOM 0 HG3 MET A 93 1.980 -6.687 6.689 1.00 0.67 H new ATOM 0 HE1 MET A 93 0.210 -9.348 10.000 1.00 0.65 H new ATOM 0 HE2 MET A 93 -0.480 -9.463 8.363 1.00 0.65 H new ATOM 0 HE3 MET A 93 1.234 -9.857 8.637 1.00 0.65 H new ATOM 1410 N PRO A 94 0.337 -10.978 4.570 1.00 0.38 N ATOM 1411 CA PRO A 94 -0.473 -12.022 3.935 1.00 0.42 C ATOM 1412 C PRO A 94 -1.751 -11.488 3.291 1.00 0.39 C ATOM 1413 O PRO A 94 -2.042 -11.790 2.131 1.00 0.42 O ATOM 1414 CB PRO A 94 -0.813 -12.985 5.085 1.00 0.52 C ATOM 1415 CG PRO A 94 -0.235 -12.377 6.325 1.00 0.61 C ATOM 1416 CD PRO A 94 0.835 -11.427 5.875 1.00 0.46 C ATOM 0 HA PRO A 94 0.072 -12.492 3.116 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -1.891 -13.112 5.180 1.00 0.52 H new ATOM 0 HB3 PRO A 94 -0.391 -13.973 4.903 1.00 0.52 H new ATOM 0 HG2 PRO A 94 -1.003 -11.854 6.895 1.00 0.61 H new ATOM 0 HG3 PRO A 94 0.178 -13.146 6.978 1.00 0.61 H new ATOM 0 HD2 PRO A 94 0.958 -10.596 6.570 1.00 0.46 H new ATOM 0 HD3 PRO A 94 1.804 -11.918 5.792 1.00 0.46 H new ATOM 1424 N GLN A 95 -2.492 -10.670 4.025 1.00 0.40 N ATOM 1425 CA GLN A 95 -3.758 -10.165 3.539 1.00 0.43 C ATOM 1426 C GLN A 95 -3.544 -9.148 2.426 1.00 0.36 C ATOM 1427 O GLN A 95 -4.406 -8.973 1.562 1.00 0.39 O ATOM 1428 CB GLN A 95 -4.571 -9.555 4.678 1.00 0.53 C ATOM 1429 CG GLN A 95 -4.654 -10.459 5.897 1.00 0.64 C ATOM 1430 CD GLN A 95 -5.917 -10.236 6.713 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -5.919 -10.397 7.935 1.00 1.41 O ATOM 1432 NE2 GLN A 95 -7.004 -9.884 6.043 1.00 1.47 N ATOM 0 H GLN A 95 -2.235 -10.345 4.957 1.00 0.40 H new ATOM 0 HA GLN A 95 -4.321 -11.003 3.129 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -4.124 -8.604 4.967 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -5.579 -9.339 4.323 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -4.614 -11.500 5.575 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -3.783 -10.288 6.530 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -6.962 -9.760 5.031 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -7.883 -9.736 6.539 1.00 1.47 H new ATOM 1441 N THR A 96 -2.382 -8.496 2.433 1.00 0.33 N ATOM 1442 CA THR A 96 -2.038 -7.543 1.397 1.00 0.31 C ATOM 1443 C THR A 96 -1.915 -8.250 0.039 1.00 0.29 C ATOM 1444 O THR A 96 -2.067 -7.634 -1.014 1.00 0.34 O ATOM 1445 CB THR A 96 -0.732 -6.816 1.755 1.00 0.34 C ATOM 1446 OG1 THR A 96 -0.744 -6.467 3.147 1.00 0.37 O ATOM 1447 CG2 THR A 96 -0.573 -5.554 0.930 1.00 0.46 C ATOM 0 H THR A 96 -1.666 -8.616 3.150 1.00 0.33 H new ATOM 0 HA THR A 96 -2.834 -6.802 1.324 1.00 0.31 H new ATOM 0 HB THR A 96 0.103 -7.484 1.541 1.00 0.34 H new ATOM 0 HG1 THR A 96 -0.988 -5.523 3.246 1.00 0.37 H new ATOM 0 HG21 THR A 96 0.358 -5.057 1.201 1.00 0.46 H new ATOM 0 HG22 THR A 96 -0.552 -5.812 -0.129 1.00 0.46 H new ATOM 0 HG23 THR A 96 -1.411 -4.885 1.124 1.00 0.46 H new ATOM 1455 N VAL A 97 -1.669 -9.557 0.070 1.00 0.33 N ATOM 1456 CA VAL A 97 -1.605 -10.351 -1.139 1.00 0.39 C ATOM 1457 C VAL A 97 -2.986 -10.861 -1.525 1.00 0.34 C ATOM 1458 O VAL A 97 -3.330 -10.890 -2.703 1.00 0.37 O ATOM 1459 CB VAL A 97 -0.671 -11.555 -0.949 1.00 0.60 C ATOM 1460 CG1 VAL A 97 -0.680 -12.444 -2.171 1.00 1.00 C ATOM 1461 CG2 VAL A 97 0.728 -11.084 -0.657 1.00 1.05 C ATOM 0 H VAL A 97 -1.511 -10.085 0.928 1.00 0.33 H new ATOM 0 HA VAL A 97 -1.219 -9.710 -1.931 1.00 0.39 H new ATOM 0 HB VAL A 97 -1.033 -12.138 -0.102 1.00 0.60 H new ATOM 0 HG11 VAL A 97 -0.011 -13.289 -2.011 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -1.691 -12.810 -2.347 1.00 1.00 H new ATOM 0 HG13 VAL A 97 -0.344 -11.875 -3.038 1.00 1.00 H new ATOM 0 HG21 VAL A 97 1.382 -11.946 -0.524 1.00 1.05 H new ATOM 0 HG22 VAL A 97 1.089 -10.479 -1.489 1.00 1.05 H new ATOM 0 HG23 VAL A 97 0.728 -10.485 0.254 1.00 1.05 H new ATOM 1471 N GLU A 98 -3.775 -11.248 -0.525 1.00 0.35 N ATOM 1472 CA GLU A 98 -5.100 -11.824 -0.758 1.00 0.40 C ATOM 1473 C GLU A 98 -5.991 -10.873 -1.545 1.00 0.34 C ATOM 1474 O GLU A 98 -6.868 -11.304 -2.297 1.00 0.45 O ATOM 1475 CB GLU A 98 -5.778 -12.167 0.565 1.00 0.54 C ATOM 1476 CG GLU A 98 -4.999 -13.143 1.422 1.00 0.72 C ATOM 1477 CD GLU A 98 -5.789 -13.591 2.630 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -5.845 -12.843 3.627 1.00 1.62 O ATOM 1479 OE2 GLU A 98 -6.372 -14.694 2.583 1.00 1.55 O ATOM 0 H GLU A 98 -3.519 -11.173 0.460 1.00 0.35 H new ATOM 0 HA GLU A 98 -4.958 -12.733 -1.342 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -5.935 -11.248 1.130 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -6.763 -12.586 0.359 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -4.726 -14.013 0.824 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -4.070 -12.677 1.749 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.755 -9.583 -1.380 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.551 -8.573 -2.051 1.00 0.27 C ATOM 1488 C ALA A 99 -6.089 -8.431 -3.488 1.00 0.25 C ATOM 1489 O ALA A 99 -6.892 -8.259 -4.399 1.00 0.34 O ATOM 1490 CB ALA A 99 -6.447 -7.246 -1.315 1.00 0.31 C ATOM 0 H ALA A 99 -5.015 -9.210 -0.785 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.597 -8.879 -2.049 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -7.049 -6.497 -1.829 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.811 -7.366 -0.295 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -5.406 -6.923 -1.293 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.783 -8.535 -3.683 1.00 0.25 N ATOM 1497 CA ILE A 100 -4.199 -8.457 -5.008 1.00 0.24 C ATOM 1498 C ILE A 100 -4.501 -9.724 -5.796 1.00 0.28 C ATOM 1499 O ILE A 100 -4.962 -9.656 -6.924 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.684 -8.204 -4.898 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.388 -6.729 -5.154 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -1.876 -9.104 -5.821 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -0.930 -6.353 -5.002 1.00 0.38 C ATOM 0 H ILE A 100 -4.106 -8.675 -2.933 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.642 -7.621 -5.549 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.374 -8.457 -3.884 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -2.714 -6.474 -6.162 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -2.981 -6.126 -4.466 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.815 -8.885 -5.705 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -2.062 -10.147 -5.566 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -2.172 -8.925 -6.855 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -0.806 -5.288 -5.201 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.602 -6.573 -3.986 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.331 -6.926 -5.709 1.00 0.38 H new ATOM 1515 N ASN A 101 -4.244 -10.871 -5.183 1.00 0.31 N ATOM 1516 CA ASN A 101 -4.623 -12.169 -5.721 1.00 0.38 C ATOM 1517 C ASN A 101 -6.057 -12.150 -6.245 1.00 0.37 C ATOM 1518 O ASN A 101 -6.380 -12.798 -7.239 1.00 0.46 O ATOM 1519 CB ASN A 101 -4.510 -13.214 -4.613 1.00 0.46 C ATOM 1520 CG ASN A 101 -4.199 -14.587 -5.145 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -4.729 -15.587 -4.659 1.00 1.85 O ATOM 1522 ND2 ASN A 101 -3.310 -14.652 -6.119 1.00 1.55 N ATOM 0 H ASN A 101 -3.760 -10.926 -4.287 1.00 0.31 H new ATOM 0 HA ASN A 101 -3.957 -12.411 -6.549 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -3.730 -12.914 -3.913 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -5.445 -13.248 -4.053 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -3.036 -15.558 -6.500 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -2.897 -13.797 -6.491 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.912 -11.402 -5.560 1.00 0.33 N ATOM 1530 CA HIS A 102 -8.306 -11.271 -5.954 1.00 0.38 C ATOM 1531 C HIS A 102 -8.476 -10.209 -7.038 1.00 0.38 C ATOM 1532 O HIS A 102 -9.307 -10.350 -7.929 1.00 0.47 O ATOM 1533 CB HIS A 102 -9.167 -10.909 -4.738 1.00 0.43 C ATOM 1534 CG HIS A 102 -10.640 -10.962 -5.003 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -11.402 -12.095 -4.811 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -11.493 -10.013 -5.449 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -12.654 -11.838 -5.130 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -12.740 -10.582 -5.520 1.00 0.77 N ATOM 0 H HIS A 102 -6.661 -10.874 -4.724 1.00 0.33 H new ATOM 0 HA HIS A 102 -8.631 -12.230 -6.357 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -8.930 -11.590 -3.921 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.903 -9.906 -4.404 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -11.240 -8.994 -5.703 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -13.474 -12.540 -5.080 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -13.592 -10.111 -5.824 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.675 -9.157 -6.973 1.00 0.32 N ATOM 1548 CA ALA A 103 -7.896 -7.993 -7.822 1.00 0.38 C ATOM 1549 C ALA A 103 -7.127 -8.062 -9.135 1.00 0.40 C ATOM 1550 O ALA A 103 -7.611 -7.602 -10.170 1.00 0.48 O ATOM 1551 CB ALA A 103 -7.516 -6.732 -7.070 1.00 0.43 C ATOM 0 H ALA A 103 -6.872 -9.083 -6.348 1.00 0.32 H new ATOM 0 HA ALA A 103 -8.956 -7.978 -8.075 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -7.682 -5.864 -7.708 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -8.128 -6.645 -6.172 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -6.464 -6.779 -6.789 1.00 0.43 H new ATOM 1557 N LYS A 104 -5.951 -8.667 -9.111 1.00 0.40 N ATOM 1558 CA LYS A 104 -5.033 -8.570 -10.215 1.00 0.51 C ATOM 1559 C LYS A 104 -5.507 -9.440 -11.377 1.00 0.50 C ATOM 1560 O LYS A 104 -5.094 -9.254 -12.519 1.00 0.60 O ATOM 1561 CB LYS A 104 -3.613 -8.943 -9.723 1.00 0.64 C ATOM 1562 CG LYS A 104 -3.396 -10.409 -9.342 1.00 1.11 C ATOM 1563 CD LYS A 104 -3.311 -11.307 -10.554 1.00 1.57 C ATOM 1564 CE LYS A 104 -2.201 -10.860 -11.499 1.00 1.92 C ATOM 1565 NZ LYS A 104 -2.074 -11.744 -12.686 1.00 2.56 N ATOM 0 H LYS A 104 -5.616 -9.232 -8.331 1.00 0.40 H new ATOM 0 HA LYS A 104 -4.997 -7.548 -10.592 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -2.900 -8.683 -10.505 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -3.377 -8.325 -8.857 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -2.479 -10.499 -8.760 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -4.214 -10.741 -8.702 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -3.129 -12.334 -10.236 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -4.265 -11.301 -11.081 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -2.398 -9.840 -11.829 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -1.254 -10.843 -10.960 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 -1.306 -11.398 -13.296 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 -1.859 -12.713 -12.376 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 -2.968 -11.741 -13.218 1.00 2.56 H new ATOM 1579 N ALA A 105 -6.415 -10.363 -11.081 1.00 0.51 N ATOM 1580 CA ALA A 105 -6.841 -11.348 -12.061 1.00 0.61 C ATOM 1581 C ALA A 105 -8.090 -10.910 -12.816 1.00 0.66 C ATOM 1582 O ALA A 105 -8.667 -11.684 -13.580 1.00 0.76 O ATOM 1583 CB ALA A 105 -7.064 -12.696 -11.393 1.00 0.72 C ATOM 0 H ALA A 105 -6.868 -10.448 -10.171 1.00 0.51 H new ATOM 0 HA ALA A 105 -6.041 -11.442 -12.795 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -7.383 -13.424 -12.139 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -6.135 -13.032 -10.932 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -7.834 -12.600 -10.628 1.00 0.72 H new ATOM 1589 N ALA A 106 -8.506 -9.676 -12.602 1.00 0.62 N ATOM 1590 CA ALA A 106 -9.591 -9.103 -13.378 1.00 0.70 C ATOM 1591 C ALA A 106 -9.031 -8.047 -14.317 1.00 0.72 C ATOM 1592 O ALA A 106 -9.775 -7.354 -15.013 1.00 0.90 O ATOM 1593 CB ALA A 106 -10.653 -8.512 -12.461 1.00 0.75 C ATOM 0 H ALA A 106 -8.110 -9.052 -11.899 1.00 0.62 H new ATOM 0 HA ALA A 106 -10.067 -9.886 -13.968 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -11.457 -8.088 -13.062 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -11.055 -9.295 -11.818 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -10.208 -7.730 -11.846 1.00 0.75 H new ATOM 1599 N ASN A 107 -7.700 -7.922 -14.282 1.00 0.67 N ATOM 1600 CA ASN A 107 -6.960 -6.978 -15.115 1.00 0.73 C ATOM 1601 C ASN A 107 -7.196 -5.602 -14.551 1.00 0.67 C ATOM 1602 O ASN A 107 -7.284 -4.594 -15.257 1.00 0.80 O ATOM 1603 CB ASN A 107 -7.363 -7.054 -16.579 1.00 0.92 C ATOM 1604 CG ASN A 107 -6.248 -6.613 -17.510 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -5.442 -7.429 -17.959 1.00 1.99 O ATOM 1606 ND2 ASN A 107 -6.188 -5.322 -17.796 1.00 2.06 N ATOM 0 H ASN A 107 -7.105 -8.479 -13.669 1.00 0.67 H new ATOM 0 HA ASN A 107 -5.899 -7.226 -15.094 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -7.651 -8.077 -16.821 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -8.240 -6.428 -16.745 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -5.454 -4.969 -18.410 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -6.876 -4.680 -17.403 1.00 2.06 H new ATOM 1613 N VAL A 108 -7.313 -5.610 -13.242 1.00 0.55 N ATOM 1614 CA VAL A 108 -7.618 -4.439 -12.468 1.00 0.49 C ATOM 1615 C VAL A 108 -6.343 -3.752 -12.014 1.00 0.40 C ATOM 1616 O VAL A 108 -5.350 -4.415 -11.731 1.00 0.42 O ATOM 1617 CB VAL A 108 -8.437 -4.854 -11.236 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -8.370 -3.790 -10.172 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -9.875 -5.141 -11.623 1.00 1.08 C ATOM 0 H VAL A 108 -7.195 -6.452 -12.678 1.00 0.55 H new ATOM 0 HA VAL A 108 -8.188 -3.744 -13.085 1.00 0.49 H new ATOM 0 HB VAL A 108 -8.006 -5.769 -10.829 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -8.956 -4.102 -9.308 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -7.333 -3.640 -9.872 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -8.773 -2.856 -10.565 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -10.439 -5.433 -10.737 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -10.320 -4.246 -12.058 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -9.901 -5.950 -12.353 1.00 1.08 H new ATOM 1629 N PRO A 109 -6.346 -2.413 -11.967 1.00 0.39 N ATOM 1630 CA PRO A 109 -5.253 -1.655 -11.392 1.00 0.35 C ATOM 1631 C PRO A 109 -5.223 -1.712 -9.876 1.00 0.30 C ATOM 1632 O PRO A 109 -6.253 -1.646 -9.187 1.00 0.34 O ATOM 1633 CB PRO A 109 -5.500 -0.219 -11.818 1.00 0.43 C ATOM 1634 CG PRO A 109 -6.637 -0.260 -12.765 1.00 0.51 C ATOM 1635 CD PRO A 109 -7.385 -1.535 -12.500 1.00 0.48 C ATOM 0 HA PRO A 109 -4.302 -2.063 -11.733 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -5.732 0.408 -10.957 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -4.614 0.205 -12.291 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -7.287 0.604 -12.625 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -6.282 -0.228 -13.795 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -8.196 -1.388 -11.787 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -7.830 -1.940 -13.409 1.00 0.48 H new ATOM 1643 N ILE A 110 -4.013 -1.759 -9.387 1.00 0.27 N ATOM 1644 CA ILE A 110 -3.741 -1.872 -7.966 1.00 0.25 C ATOM 1645 C ILE A 110 -2.899 -0.688 -7.516 1.00 0.23 C ATOM 1646 O ILE A 110 -2.044 -0.198 -8.256 1.00 0.26 O ATOM 1647 CB ILE A 110 -3.031 -3.213 -7.612 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -4.054 -4.342 -7.447 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -2.194 -3.095 -6.344 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -4.636 -4.854 -8.745 1.00 0.96 C ATOM 0 H ILE A 110 -3.174 -1.720 -9.965 1.00 0.27 H new ATOM 0 HA ILE A 110 -4.694 -1.867 -7.437 1.00 0.25 H new ATOM 0 HB ILE A 110 -2.363 -3.447 -8.441 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -3.579 -5.172 -6.924 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -4.867 -3.989 -6.813 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -1.716 -4.052 -6.133 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -1.430 -2.330 -6.482 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -2.837 -2.818 -5.508 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -5.350 -5.651 -8.535 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -5.143 -4.040 -9.263 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -3.835 -5.241 -9.375 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.164 -0.214 -6.316 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.447 0.918 -5.768 1.00 0.25 C ATOM 1664 C ILE A 111 -1.734 0.479 -4.526 1.00 0.32 C ATOM 1665 O ILE A 111 -2.116 -0.499 -3.925 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.417 2.049 -5.406 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.252 2.429 -6.611 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -2.687 3.263 -4.859 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.614 2.886 -6.199 1.00 0.53 C ATOM 0 H ILE A 111 -3.877 -0.600 -5.697 1.00 0.23 H new ATOM 0 HA ILE A 111 -1.740 1.284 -6.513 1.00 0.25 H new ATOM 0 HB ILE A 111 -4.076 1.682 -4.619 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -3.752 3.221 -7.168 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -4.339 1.574 -7.281 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -3.409 4.042 -4.614 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -2.137 2.983 -3.960 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -1.990 3.637 -5.609 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -6.192 3.152 -7.084 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -6.121 2.083 -5.663 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -5.525 3.756 -5.549 1.00 0.53 H new ATOM 1681 N VAL A 112 -0.688 1.168 -4.167 1.00 0.21 N ATOM 1682 CA VAL A 112 -0.017 0.898 -2.942 1.00 0.20 C ATOM 1683 C VAL A 112 -0.081 2.102 -2.047 1.00 0.20 C ATOM 1684 O VAL A 112 0.138 3.224 -2.490 1.00 0.23 O ATOM 1685 CB VAL A 112 1.441 0.569 -3.186 1.00 0.20 C ATOM 1686 CG1 VAL A 112 1.884 -0.490 -2.243 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.657 0.111 -4.609 1.00 0.22 C ATOM 0 H VAL A 112 -0.284 1.927 -4.716 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.510 0.046 -2.473 1.00 0.20 H new ATOM 0 HB VAL A 112 2.030 1.471 -3.021 1.00 0.20 H new ATOM 0 HG11 VAL A 112 2.934 -0.722 -2.424 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.761 -0.139 -1.218 1.00 0.20 H new ATOM 0 HG13 VAL A 112 1.283 -1.387 -2.394 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.711 -0.120 -4.761 1.00 0.22 H new ATOM 0 HG22 VAL A 112 1.059 -0.781 -4.799 1.00 0.22 H new ATOM 0 HG23 VAL A 112 1.356 0.902 -5.296 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.364 1.867 -0.796 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.358 2.918 0.173 1.00 0.21 C ATOM 1699 C ALA A 113 0.652 2.574 1.235 1.00 0.21 C ATOM 1700 O ALA A 113 0.337 1.941 2.235 1.00 0.23 O ATOM 1701 CB ALA A 113 -1.739 3.113 0.771 1.00 0.25 C ATOM 0 H ALA A 113 -0.603 0.947 -0.425 1.00 0.19 H new ATOM 0 HA ALA A 113 -0.084 3.860 -0.302 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -1.707 3.918 1.505 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.445 3.370 -0.019 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.058 2.191 1.257 1.00 0.25 H new ATOM 1707 N ILE A 114 1.873 2.980 0.978 1.00 0.21 N ATOM 1708 CA ILE A 114 2.964 2.822 1.915 1.00 0.24 C ATOM 1709 C ILE A 114 2.709 3.685 3.152 1.00 0.25 C ATOM 1710 O ILE A 114 3.129 4.837 3.196 1.00 0.30 O ATOM 1711 CB ILE A 114 4.291 3.262 1.270 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.384 2.831 -0.205 1.00 0.32 C ATOM 1713 CG2 ILE A 114 5.449 2.686 2.053 1.00 0.36 C ATOM 1714 CD1 ILE A 114 4.625 1.354 -0.416 1.00 0.85 C ATOM 0 H ILE A 114 2.141 3.434 0.105 1.00 0.21 H new ATOM 0 HA ILE A 114 3.029 1.771 2.198 1.00 0.24 H new ATOM 0 HB ILE A 114 4.332 4.351 1.294 1.00 0.28 H new ATOM 0 HG12 ILE A 114 3.460 3.110 -0.710 1.00 0.32 H new ATOM 0 HG13 ILE A 114 5.190 3.389 -0.683 1.00 0.32 H new ATOM 0 HG21 ILE A 114 6.388 2.998 1.596 1.00 0.36 H new ATOM 0 HG22 ILE A 114 5.408 3.047 3.081 1.00 0.36 H new ATOM 0 HG23 ILE A 114 5.386 1.598 2.047 1.00 0.36 H new ATOM 0 HD11 ILE A 114 4.676 1.143 -1.484 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.565 1.068 0.056 1.00 0.85 H new ATOM 0 HD13 ILE A 114 3.808 0.785 0.028 1.00 0.85 H new ATOM 1726 N ASN A 115 2.017 3.135 4.144 1.00 0.26 N ATOM 1727 CA ASN A 115 1.552 3.924 5.283 1.00 0.31 C ATOM 1728 C ASN A 115 2.636 4.010 6.352 1.00 0.37 C ATOM 1729 O ASN A 115 3.573 3.206 6.348 1.00 0.39 O ATOM 1730 CB ASN A 115 0.275 3.301 5.867 1.00 0.39 C ATOM 1731 CG ASN A 115 -0.353 4.134 6.973 1.00 0.47 C ATOM 1732 OD1 ASN A 115 -0.281 5.367 6.963 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -0.966 3.466 7.938 1.00 0.69 N ATOM 0 H ASN A 115 1.765 2.147 4.184 1.00 0.26 H new ATOM 0 HA ASN A 115 1.327 4.934 4.940 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -0.453 3.165 5.067 1.00 0.39 H new ATOM 0 HB3 ASN A 115 0.509 2.310 6.257 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -1.401 3.970 8.710 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -1.003 2.447 7.909 1.00 0.69 H new ATOM 1740 N LYS A 116 2.511 4.991 7.251 1.00 0.49 N ATOM 1741 CA LYS A 116 3.475 5.190 8.333 1.00 0.62 C ATOM 1742 C LYS A 116 4.850 5.513 7.737 1.00 0.57 C ATOM 1743 O LYS A 116 5.900 5.223 8.314 1.00 0.67 O ATOM 1744 CB LYS A 116 3.504 3.932 9.218 1.00 0.78 C ATOM 1745 CG LYS A 116 4.279 4.076 10.517 1.00 1.15 C ATOM 1746 CD LYS A 116 4.044 2.877 11.419 1.00 1.50 C ATOM 1747 CE LYS A 116 4.997 2.858 12.601 1.00 2.05 C ATOM 1748 NZ LYS A 116 6.378 2.482 12.195 1.00 2.61 N ATOM 0 H LYS A 116 1.744 5.664 7.248 1.00 0.49 H new ATOM 0 HA LYS A 116 3.184 6.033 8.960 1.00 0.62 H new ATOM 0 HB2 LYS A 116 2.478 3.649 9.454 1.00 0.78 H new ATOM 0 HB3 LYS A 116 3.936 3.113 8.644 1.00 0.78 H new ATOM 0 HG2 LYS A 116 5.343 4.173 10.302 1.00 1.15 H new ATOM 0 HG3 LYS A 116 3.973 4.988 11.029 1.00 1.15 H new ATOM 0 HD2 LYS A 116 3.016 2.893 11.782 1.00 1.50 H new ATOM 0 HD3 LYS A 116 4.164 1.960 10.842 1.00 1.50 H new ATOM 0 HE2 LYS A 116 5.012 3.841 13.071 1.00 2.05 H new ATOM 0 HE3 LYS A 116 4.634 2.153 13.349 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 6.961 2.332 13.043 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 6.349 1.606 11.635 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 6.791 3.245 11.622 1.00 2.61 H new ATOM 1762 N MET A 117 4.814 6.143 6.570 1.00 0.58 N ATOM 1763 CA MET A 117 6.004 6.414 5.780 1.00 0.69 C ATOM 1764 C MET A 117 6.332 7.921 5.772 1.00 0.81 C ATOM 1765 O MET A 117 7.209 8.385 5.047 1.00 1.03 O ATOM 1766 CB MET A 117 5.766 5.842 4.368 1.00 0.85 C ATOM 1767 CG MET A 117 6.345 6.663 3.241 1.00 0.81 C ATOM 1768 SD MET A 117 8.120 6.401 2.988 1.00 1.37 S ATOM 1769 CE MET A 117 8.168 4.705 2.415 1.00 0.65 C ATOM 0 H MET A 117 3.952 6.482 6.144 1.00 0.58 H new ATOM 0 HA MET A 117 6.879 5.931 6.215 1.00 0.69 H new ATOM 0 HB2 MET A 117 6.191 4.839 4.322 1.00 0.85 H new ATOM 0 HB3 MET A 117 4.692 5.741 4.209 1.00 0.85 H new ATOM 0 HG2 MET A 117 5.816 6.423 2.319 1.00 0.81 H new ATOM 0 HG3 MET A 117 6.168 7.719 3.444 1.00 0.81 H new ATOM 0 HE1 MET A 117 9.195 4.341 2.442 1.00 0.65 H new ATOM 0 HE2 MET A 117 7.546 4.085 3.061 1.00 0.65 H new ATOM 0 HE3 MET A 117 7.792 4.655 1.393 1.00 0.65 H new ATOM 1852 N ASN A 123 12.021 1.874 3.421 1.00 0.59 N ATOM 1853 CA ASN A 123 12.683 1.293 2.251 1.00 0.57 C ATOM 1854 C ASN A 123 11.656 0.922 1.180 1.00 0.46 C ATOM 1855 O ASN A 123 11.249 -0.235 1.065 1.00 0.52 O ATOM 1856 CB ASN A 123 13.523 0.070 2.629 1.00 0.85 C ATOM 1857 CG ASN A 123 14.309 -0.471 1.450 1.00 1.28 C ATOM 1858 OD1 ASN A 123 14.544 0.237 0.469 1.00 1.77 O ATOM 1859 ND2 ASN A 123 14.752 -1.711 1.549 1.00 1.84 N ATOM 0 HA ASN A 123 13.357 2.048 1.846 1.00 0.57 H new ATOM 0 HB2 ASN A 123 14.211 0.338 3.431 1.00 0.85 H new ATOM 0 HB3 ASN A 123 12.870 -0.711 3.018 1.00 0.85 H new ATOM 0 HD21 ASN A 123 15.310 -2.115 0.797 1.00 1.84 H new ATOM 0 HD22 ASN A 123 14.536 -2.265 2.378 1.00 1.84 H new ATOM 1866 N PRO A 124 11.212 1.926 0.397 1.00 0.41 N ATOM 1867 CA PRO A 124 10.258 1.752 -0.706 1.00 0.47 C ATOM 1868 C PRO A 124 10.603 0.596 -1.640 1.00 0.42 C ATOM 1869 O PRO A 124 9.813 -0.322 -1.781 1.00 0.40 O ATOM 1870 CB PRO A 124 10.333 3.087 -1.470 1.00 0.66 C ATOM 1871 CG PRO A 124 11.481 3.826 -0.869 1.00 0.70 C ATOM 1872 CD PRO A 124 11.577 3.334 0.540 1.00 0.46 C ATOM 0 HA PRO A 124 9.267 1.508 -0.323 1.00 0.47 H new ATOM 0 HB2 PRO A 124 10.488 2.921 -2.536 1.00 0.66 H new ATOM 0 HB3 PRO A 124 9.406 3.651 -1.367 1.00 0.66 H new ATOM 0 HG2 PRO A 124 12.403 3.632 -1.417 1.00 0.70 H new ATOM 0 HG3 PRO A 124 11.314 4.903 -0.899 1.00 0.70 H new ATOM 0 HD2 PRO A 124 12.581 3.456 0.947 1.00 0.46 H new ATOM 0 HD3 PRO A 124 10.897 3.866 1.205 1.00 0.46 H new ATOM 1880 N ASP A 125 11.780 0.646 -2.262 1.00 0.45 N ATOM 1881 CA ASP A 125 12.204 -0.351 -3.264 1.00 0.45 C ATOM 1882 C ASP A 125 11.946 -1.776 -2.819 1.00 0.38 C ATOM 1883 O ASP A 125 11.498 -2.595 -3.615 1.00 0.33 O ATOM 1884 CB ASP A 125 13.688 -0.199 -3.548 1.00 0.56 C ATOM 1885 CG ASP A 125 14.017 1.116 -4.216 1.00 1.16 C ATOM 1886 OD1 ASP A 125 14.192 2.123 -3.500 1.00 2.00 O ATOM 1887 OD2 ASP A 125 14.106 1.145 -5.462 1.00 1.28 O ATOM 0 H ASP A 125 12.472 1.376 -2.091 1.00 0.45 H new ATOM 0 HA ASP A 125 11.612 -0.163 -4.160 1.00 0.45 H new ATOM 0 HB2 ASP A 125 14.243 -0.277 -2.613 1.00 0.56 H new ATOM 0 HB3 ASP A 125 14.019 -1.019 -4.185 1.00 0.56 H new ATOM 1892 N ARG A 126 12.246 -2.083 -1.568 1.00 0.40 N ATOM 1893 CA ARG A 126 11.982 -3.413 -1.035 1.00 0.40 C ATOM 1894 C ARG A 126 10.514 -3.743 -1.187 1.00 0.34 C ATOM 1895 O ARG A 126 10.142 -4.769 -1.759 1.00 0.32 O ATOM 1896 CB ARG A 126 12.373 -3.480 0.436 1.00 0.47 C ATOM 1897 CG ARG A 126 12.216 -4.859 1.051 1.00 0.58 C ATOM 1898 CD ARG A 126 10.818 -5.078 1.615 1.00 1.25 C ATOM 1899 NE ARG A 126 10.773 -6.228 2.513 1.00 1.38 N ATOM 1900 CZ ARG A 126 9.665 -6.686 3.097 1.00 2.08 C ATOM 1901 NH1 ARG A 126 8.477 -6.190 2.778 1.00 2.99 N ATOM 1902 NH2 ARG A 126 9.743 -7.678 3.973 1.00 2.15 N ATOM 0 H ARG A 126 12.670 -1.435 -0.904 1.00 0.40 H new ATOM 0 HA ARG A 126 12.576 -4.138 -1.591 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.410 -3.162 0.541 1.00 0.47 H new ATOM 0 HB3 ARG A 126 11.764 -2.771 0.997 1.00 0.47 H new ATOM 0 HG2 ARG A 126 12.425 -5.618 0.297 1.00 0.58 H new ATOM 0 HG3 ARG A 126 12.951 -4.987 1.845 1.00 0.58 H new ATOM 0 HD2 ARG A 126 10.498 -4.185 2.151 1.00 1.25 H new ATOM 0 HD3 ARG A 126 10.114 -5.228 0.796 1.00 1.25 H new ATOM 0 HE ARG A 126 11.648 -6.714 2.707 1.00 1.38 H new ATOM 0 HH11 ARG A 126 8.404 -5.450 2.079 1.00 2.99 H new ATOM 0 HH12 ARG A 126 7.636 -6.548 3.231 1.00 2.99 H new ATOM 0 HH21 ARG A 126 10.649 -8.089 4.199 1.00 2.15 H new ATOM 0 HH22 ARG A 126 8.897 -8.030 4.421 1.00 2.15 H new ATOM 1916 N VAL A 127 9.695 -2.851 -0.670 1.00 0.34 N ATOM 1917 CA VAL A 127 8.249 -2.999 -0.745 1.00 0.34 C ATOM 1918 C VAL A 127 7.815 -3.035 -2.205 1.00 0.31 C ATOM 1919 O VAL A 127 7.052 -3.891 -2.628 1.00 0.33 O ATOM 1920 CB VAL A 127 7.521 -1.841 -0.026 1.00 0.37 C ATOM 1921 CG1 VAL A 127 6.014 -2.048 -0.046 1.00 0.39 C ATOM 1922 CG2 VAL A 127 8.024 -1.692 1.403 1.00 0.40 C ATOM 0 H VAL A 127 10.006 -2.007 -0.188 1.00 0.34 H new ATOM 0 HA VAL A 127 7.981 -3.931 -0.248 1.00 0.34 H new ATOM 0 HB VAL A 127 7.742 -0.920 -0.565 1.00 0.37 H new ATOM 0 HG11 VAL A 127 5.526 -1.219 0.467 1.00 0.39 H new ATOM 0 HG12 VAL A 127 5.666 -2.092 -1.078 1.00 0.39 H new ATOM 0 HG13 VAL A 127 5.768 -2.982 0.459 1.00 0.39 H new ATOM 0 HG21 VAL A 127 7.498 -0.871 1.890 1.00 0.40 H new ATOM 0 HG22 VAL A 127 7.841 -2.616 1.951 1.00 0.40 H new ATOM 0 HG23 VAL A 127 9.094 -1.482 1.392 1.00 0.40 H new ATOM 1932 N MET A 128 8.368 -2.124 -2.983 1.00 0.28 N ATOM 1933 CA MET A 128 8.002 -1.973 -4.376 1.00 0.26 C ATOM 1934 C MET A 128 8.366 -3.213 -5.191 1.00 0.25 C ATOM 1935 O MET A 128 7.662 -3.568 -6.139 1.00 0.25 O ATOM 1936 CB MET A 128 8.675 -0.732 -4.962 1.00 0.25 C ATOM 1937 CG MET A 128 8.350 0.550 -4.213 1.00 0.27 C ATOM 1938 SD MET A 128 9.227 1.989 -4.855 1.00 0.30 S ATOM 1939 CE MET A 128 8.369 2.240 -6.402 1.00 0.29 C ATOM 0 H MET A 128 9.083 -1.469 -2.666 1.00 0.28 H new ATOM 0 HA MET A 128 6.920 -1.852 -4.428 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.755 -0.880 -4.960 1.00 0.25 H new ATOM 0 HB3 MET A 128 8.370 -0.622 -6.003 1.00 0.25 H new ATOM 0 HG2 MET A 128 7.277 0.733 -4.267 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.599 0.421 -3.160 1.00 0.27 H new ATOM 0 HE1 MET A 128 9.096 2.371 -7.204 1.00 0.29 H new ATOM 0 HE2 MET A 128 7.744 1.373 -6.616 1.00 0.29 H new ATOM 0 HE3 MET A 128 7.743 3.129 -6.331 1.00 0.29 H new ATOM 1949 N GLN A 129 9.445 -3.894 -4.811 1.00 0.25 N ATOM 1950 CA GLN A 129 9.893 -5.063 -5.559 1.00 0.26 C ATOM 1951 C GLN A 129 9.123 -6.292 -5.123 1.00 0.29 C ATOM 1952 O GLN A 129 9.034 -7.276 -5.854 1.00 0.31 O ATOM 1953 CB GLN A 129 11.392 -5.294 -5.384 1.00 0.29 C ATOM 1954 CG GLN A 129 12.254 -4.338 -6.184 1.00 0.31 C ATOM 1955 CD GLN A 129 13.719 -4.459 -5.837 1.00 0.46 C ATOM 1956 OE1 GLN A 129 14.454 -5.235 -6.449 1.00 1.16 O ATOM 1957 NE2 GLN A 129 14.156 -3.705 -4.842 1.00 1.28 N ATOM 0 H GLN A 129 10.018 -3.660 -4.000 1.00 0.25 H new ATOM 0 HA GLN A 129 9.701 -4.877 -6.616 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.644 -5.199 -4.328 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.630 -6.316 -5.678 1.00 0.29 H new ATOM 0 HG2 GLN A 129 12.118 -4.533 -7.248 1.00 0.31 H new ATOM 0 HG3 GLN A 129 11.923 -3.315 -6.002 1.00 0.31 H new ATOM 0 HE21 GLN A 129 13.515 -3.075 -4.360 1.00 1.28 H new ATOM 0 HE22 GLN A 129 15.134 -3.754 -4.557 1.00 1.28 H new ATOM 1966 N GLU A 130 8.550 -6.223 -3.939 1.00 0.33 N ATOM 1967 CA GLU A 130 7.752 -7.317 -3.434 1.00 0.38 C ATOM 1968 C GLU A 130 6.376 -7.268 -4.078 1.00 0.33 C ATOM 1969 O GLU A 130 5.736 -8.296 -4.284 1.00 0.36 O ATOM 1970 CB GLU A 130 7.682 -7.251 -1.908 1.00 0.48 C ATOM 1971 CG GLU A 130 6.477 -6.533 -1.333 1.00 0.71 C ATOM 1972 CD GLU A 130 6.602 -6.336 0.164 1.00 1.18 C ATOM 1973 OE1 GLU A 130 7.153 -5.302 0.592 1.00 2.02 O ATOM 1974 OE2 GLU A 130 6.162 -7.221 0.925 1.00 1.46 O ATOM 0 H GLU A 130 8.623 -5.422 -3.311 1.00 0.33 H new ATOM 0 HA GLU A 130 8.210 -8.272 -3.692 1.00 0.38 H new ATOM 0 HB2 GLU A 130 7.695 -8.269 -1.518 1.00 0.48 H new ATOM 0 HB3 GLU A 130 8.583 -6.758 -1.543 1.00 0.48 H new ATOM 0 HG2 GLU A 130 6.365 -5.564 -1.819 1.00 0.71 H new ATOM 0 HG3 GLU A 130 5.575 -7.105 -1.550 1.00 0.71 H new ATOM 1981 N LEU A 131 5.950 -6.067 -4.460 1.00 0.29 N ATOM 1982 CA LEU A 131 4.697 -5.915 -5.190 1.00 0.29 C ATOM 1983 C LEU A 131 4.862 -6.436 -6.586 1.00 0.24 C ATOM 1984 O LEU A 131 4.012 -7.158 -7.109 1.00 0.25 O ATOM 1985 CB LEU A 131 4.236 -4.460 -5.236 1.00 0.32 C ATOM 1986 CG LEU A 131 3.339 -4.058 -4.080 1.00 0.48 C ATOM 1987 CD1 LEU A 131 2.197 -5.039 -3.972 1.00 0.34 C ATOM 1988 CD2 LEU A 131 4.123 -4.048 -2.796 1.00 1.06 C ATOM 0 H LEU A 131 6.448 -5.195 -4.279 1.00 0.29 H new ATOM 0 HA LEU A 131 3.934 -6.488 -4.663 1.00 0.29 H new ATOM 0 HB2 LEU A 131 5.113 -3.812 -5.244 1.00 0.32 H new ATOM 0 HB3 LEU A 131 3.704 -4.288 -6.172 1.00 0.32 H new ATOM 0 HG LEU A 131 2.947 -3.057 -4.260 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.550 -4.754 -3.143 1.00 0.34 H new ATOM 0 HD12 LEU A 131 1.623 -5.033 -4.899 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.592 -6.040 -3.797 1.00 0.34 H new ATOM 0 HD21 LEU A 131 3.470 -3.758 -1.973 1.00 1.06 H new ATOM 0 HD22 LEU A 131 4.525 -5.044 -2.607 1.00 1.06 H new ATOM 0 HD23 LEU A 131 4.944 -3.335 -2.876 1.00 1.06 H new ATOM 2000 N MET A 132 5.988 -6.102 -7.176 1.00 0.21 N ATOM 2001 CA MET A 132 6.312 -6.594 -8.489 1.00 0.22 C ATOM 2002 C MET A 132 6.779 -8.038 -8.395 1.00 0.26 C ATOM 2003 O MET A 132 7.030 -8.683 -9.407 1.00 0.32 O ATOM 2004 CB MET A 132 7.362 -5.704 -9.144 1.00 0.23 C ATOM 2005 CG MET A 132 8.778 -5.894 -8.625 1.00 0.26 C ATOM 2006 SD MET A 132 9.723 -7.037 -9.640 1.00 0.35 S ATOM 2007 CE MET A 132 9.244 -6.439 -11.256 1.00 0.32 C ATOM 0 H MET A 132 6.693 -5.491 -6.764 1.00 0.21 H new ATOM 0 HA MET A 132 5.422 -6.566 -9.118 1.00 0.22 H new ATOM 0 HB2 MET A 132 7.356 -5.891 -10.218 1.00 0.23 H new ATOM 0 HB3 MET A 132 7.075 -4.662 -9.000 1.00 0.23 H new ATOM 0 HG2 MET A 132 9.286 -4.930 -8.597 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.741 -6.265 -7.601 1.00 0.26 H new ATOM 0 HE1 MET A 132 10.026 -6.675 -11.978 1.00 0.32 H new ATOM 0 HE2 MET A 132 8.313 -6.917 -11.560 1.00 0.32 H new ATOM 0 HE3 MET A 132 9.101 -5.359 -11.217 1.00 0.32 H new ATOM 2017 N GLU A 133 6.853 -8.558 -7.167 1.00 0.27 N ATOM 2018 CA GLU A 133 7.153 -9.961 -6.970 1.00 0.35 C ATOM 2019 C GLU A 133 5.871 -10.737 -7.170 1.00 0.34 C ATOM 2020 O GLU A 133 5.884 -11.904 -7.566 1.00 0.40 O ATOM 2021 CB GLU A 133 7.733 -10.235 -5.581 1.00 0.44 C ATOM 2022 CG GLU A 133 8.179 -11.674 -5.388 1.00 0.67 C ATOM 2023 CD GLU A 133 8.746 -11.938 -4.014 1.00 1.30 C ATOM 2024 OE1 GLU A 133 9.946 -11.675 -3.805 1.00 1.55 O ATOM 2025 OE2 GLU A 133 7.996 -12.426 -3.142 1.00 2.18 O ATOM 0 H GLU A 133 6.709 -8.027 -6.308 1.00 0.27 H new ATOM 0 HA GLU A 133 7.912 -10.271 -7.688 1.00 0.35 H new ATOM 0 HB2 GLU A 133 8.583 -9.573 -5.413 1.00 0.44 H new ATOM 0 HB3 GLU A 133 6.984 -9.990 -4.828 1.00 0.44 H new ATOM 0 HG2 GLU A 133 7.331 -12.337 -5.558 1.00 0.67 H new ATOM 0 HG3 GLU A 133 8.931 -11.919 -6.138 1.00 0.67 H new ATOM 2032 N TYR A 134 4.747 -10.066 -6.910 1.00 0.30 N ATOM 2033 CA TYR A 134 3.458 -10.611 -7.283 1.00 0.34 C ATOM 2034 C TYR A 134 3.161 -10.222 -8.732 1.00 0.36 C ATOM 2035 O TYR A 134 2.086 -10.492 -9.263 1.00 0.44 O ATOM 2036 CB TYR A 134 2.394 -10.127 -6.316 1.00 0.32 C ATOM 2037 CG TYR A 134 2.824 -10.292 -4.876 1.00 0.37 C ATOM 2038 CD1 TYR A 134 3.127 -11.542 -4.354 1.00 0.51 C ATOM 2039 CD2 TYR A 134 2.876 -9.198 -4.022 1.00 0.37 C ATOM 2040 CE1 TYR A 134 3.470 -11.696 -3.030 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.213 -9.345 -2.692 1.00 0.49 C ATOM 2042 CZ TYR A 134 3.718 -10.593 -2.262 1.00 0.57 C ATOM 2043 OH TYR A 134 3.842 -10.744 -0.872 1.00 0.74 O ATOM 0 H TYR A 134 4.711 -9.157 -6.449 1.00 0.30 H new ATOM 0 HA TYR A 134 3.464 -11.699 -7.223 1.00 0.34 H new ATOM 0 HB2 TYR A 134 2.176 -9.077 -6.512 1.00 0.32 H new ATOM 0 HB3 TYR A 134 1.471 -10.681 -6.485 1.00 0.32 H new ATOM 0 HD1 TYR A 134 3.093 -12.408 -4.998 1.00 0.51 H new ATOM 0 HD2 TYR A 134 2.649 -8.214 -4.406 1.00 0.37 H new ATOM 0 HE1 TYR A 134 3.543 -12.684 -2.600 1.00 0.61 H new ATOM 0 HE2 TYR A 134 3.094 -8.527 -1.997 1.00 0.49 H new ATOM 0 HH TYR A 134 4.018 -9.871 -0.463 1.00 0.74 H new ATOM 2053 N ASN A 135 4.166 -9.579 -9.346 1.00 0.35 N ATOM 2054 CA ASN A 135 4.175 -9.214 -10.764 1.00 0.38 C ATOM 2055 C ASN A 135 3.271 -8.031 -11.028 1.00 0.42 C ATOM 2056 O ASN A 135 2.877 -7.772 -12.165 1.00 0.59 O ATOM 2057 CB ASN A 135 3.801 -10.402 -11.660 1.00 0.47 C ATOM 2058 CG ASN A 135 4.813 -11.525 -11.575 1.00 1.19 C ATOM 2059 OD1 ASN A 135 4.730 -12.386 -10.699 1.00 1.94 O ATOM 2060 ND2 ASN A 135 5.769 -11.536 -12.487 1.00 1.89 N ATOM 0 H ASN A 135 5.013 -9.293 -8.855 1.00 0.35 H new ATOM 0 HA ASN A 135 5.195 -8.924 -11.016 1.00 0.38 H new ATOM 0 HB2 ASN A 135 2.819 -10.778 -11.371 1.00 0.47 H new ATOM 0 HB3 ASN A 135 3.722 -10.064 -12.693 1.00 0.47 H new ATOM 0 HD21 ASN A 135 6.471 -12.276 -12.481 1.00 1.89 H new ATOM 0 HD22 ASN A 135 5.805 -10.805 -13.197 1.00 1.89 H new ATOM 2067 N LEU A 136 2.968 -7.303 -9.968 1.00 0.38 N ATOM 2068 CA LEU A 136 2.255 -6.061 -10.083 1.00 0.46 C ATOM 2069 C LEU A 136 3.270 -4.947 -10.059 1.00 0.39 C ATOM 2070 O LEU A 136 3.529 -4.315 -9.034 1.00 0.43 O ATOM 2071 CB LEU A 136 1.220 -5.890 -8.990 1.00 0.62 C ATOM 2072 CG LEU A 136 0.077 -6.899 -9.022 1.00 0.89 C ATOM 2073 CD1 LEU A 136 0.418 -8.110 -8.181 1.00 1.68 C ATOM 2074 CD2 LEU A 136 -1.212 -6.258 -8.549 1.00 1.44 C ATOM 0 H LEU A 136 3.211 -7.562 -9.012 1.00 0.38 H new ATOM 0 HA LEU A 136 1.698 -6.047 -11.020 1.00 0.46 H new ATOM 0 HB2 LEU A 136 1.719 -5.959 -8.023 1.00 0.62 H new ATOM 0 HB3 LEU A 136 0.801 -4.886 -9.061 1.00 0.62 H new ATOM 0 HG LEU A 136 -0.067 -7.228 -10.051 1.00 0.89 H new ATOM 0 HD11 LEU A 136 -0.408 -8.820 -8.214 1.00 1.68 H new ATOM 0 HD12 LEU A 136 1.319 -8.583 -8.572 1.00 1.68 H new ATOM 0 HD13 LEU A 136 0.589 -7.801 -7.150 1.00 1.68 H new ATOM 0 HD21 LEU A 136 -2.016 -6.993 -8.579 1.00 1.44 H new ATOM 0 HD22 LEU A 136 -1.086 -5.899 -7.528 1.00 1.44 H new ATOM 0 HD23 LEU A 136 -1.462 -5.420 -9.200 1.00 1.44 H new ATOM 2086 N VAL A 137 3.901 -4.788 -11.198 1.00 0.33 N ATOM 2087 CA VAL A 137 4.971 -3.827 -11.365 1.00 0.27 C ATOM 2088 C VAL A 137 4.470 -2.421 -11.134 1.00 0.26 C ATOM 2089 O VAL A 137 3.443 -2.020 -11.673 1.00 0.27 O ATOM 2090 CB VAL A 137 5.598 -3.894 -12.769 1.00 0.27 C ATOM 2091 CG1 VAL A 137 7.088 -4.168 -12.666 1.00 0.61 C ATOM 2092 CG2 VAL A 137 4.905 -4.938 -13.633 1.00 0.49 C ATOM 0 H VAL A 137 3.688 -5.323 -12.040 1.00 0.33 H new ATOM 0 HA VAL A 137 5.731 -4.083 -10.627 1.00 0.27 H new ATOM 0 HB VAL A 137 5.459 -2.928 -13.253 1.00 0.27 H new ATOM 0 HG11 VAL A 137 7.520 -4.213 -13.666 1.00 0.61 H new ATOM 0 HG12 VAL A 137 7.567 -3.369 -12.100 1.00 0.61 H new ATOM 0 HG13 VAL A 137 7.249 -5.119 -12.158 1.00 0.61 H new ATOM 0 HG21 VAL A 137 5.370 -4.962 -14.618 1.00 0.49 H new ATOM 0 HG22 VAL A 137 4.998 -5.918 -13.164 1.00 0.49 H new ATOM 0 HG23 VAL A 137 3.850 -4.683 -13.736 1.00 0.49 H new ATOM 2102 N PRO A 138 5.177 -1.670 -10.294 1.00 0.25 N ATOM 2103 CA PRO A 138 4.913 -0.255 -10.086 1.00 0.27 C ATOM 2104 C PRO A 138 4.745 0.506 -11.382 1.00 0.30 C ATOM 2105 O PRO A 138 5.318 0.162 -12.421 1.00 0.29 O ATOM 2106 CB PRO A 138 6.168 0.228 -9.392 1.00 0.30 C ATOM 2107 CG PRO A 138 6.642 -0.944 -8.628 1.00 0.29 C ATOM 2108 CD PRO A 138 6.264 -2.159 -9.432 1.00 0.27 C ATOM 0 HA PRO A 138 3.988 -0.100 -9.530 1.00 0.27 H new ATOM 0 HB2 PRO A 138 6.916 0.562 -10.111 1.00 0.30 H new ATOM 0 HB3 PRO A 138 5.958 1.072 -8.735 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.721 -0.899 -8.477 1.00 0.29 H new ATOM 0 HG3 PRO A 138 6.183 -0.974 -7.640 1.00 0.29 H new ATOM 0 HD2 PRO A 138 7.105 -2.532 -10.017 1.00 0.27 H new ATOM 0 HD3 PRO A 138 5.933 -2.977 -8.793 1.00 0.27 H new ATOM 2116 N GLU A 139 3.993 1.570 -11.284 1.00 0.35 N ATOM 2117 CA GLU A 139 3.695 2.425 -12.416 1.00 0.40 C ATOM 2118 C GLU A 139 4.945 3.226 -12.736 1.00 0.42 C ATOM 2119 O GLU A 139 5.203 3.581 -13.885 1.00 0.50 O ATOM 2120 CB GLU A 139 2.517 3.340 -12.079 1.00 0.47 C ATOM 2121 CG GLU A 139 1.600 3.638 -13.254 1.00 0.80 C ATOM 2122 CD GLU A 139 2.235 4.527 -14.309 1.00 1.49 C ATOM 2123 OE1 GLU A 139 2.502 5.712 -14.019 1.00 1.98 O ATOM 2124 OE2 GLU A 139 2.466 4.046 -15.438 1.00 2.01 O ATOM 0 H GLU A 139 3.563 1.875 -10.411 1.00 0.35 H new ATOM 0 HA GLU A 139 3.410 1.835 -13.287 1.00 0.40 H new ATOM 0 HB2 GLU A 139 1.931 2.880 -11.283 1.00 0.47 H new ATOM 0 HB3 GLU A 139 2.903 4.281 -11.687 1.00 0.47 H new ATOM 0 HG2 GLU A 139 1.298 2.698 -13.716 1.00 0.80 H new ATOM 0 HG3 GLU A 139 0.693 4.117 -12.884 1.00 0.80 H new ATOM 2131 N GLU A 140 5.722 3.479 -11.688 1.00 0.42 N ATOM 2132 CA GLU A 140 7.069 4.020 -11.816 1.00 0.44 C ATOM 2133 C GLU A 140 7.842 3.215 -12.847 1.00 0.43 C ATOM 2134 O GLU A 140 8.472 3.766 -13.749 1.00 0.51 O ATOM 2135 CB GLU A 140 7.839 3.923 -10.485 1.00 0.45 C ATOM 2136 CG GLU A 140 7.041 3.387 -9.311 1.00 0.75 C ATOM 2137 CD GLU A 140 5.912 4.293 -8.868 1.00 0.87 C ATOM 2138 OE1 GLU A 140 6.197 5.376 -8.317 1.00 1.14 O ATOM 2139 OE2 GLU A 140 4.740 3.913 -9.075 1.00 1.01 O ATOM 0 H GLU A 140 5.434 3.314 -10.724 1.00 0.42 H new ATOM 0 HA GLU A 140 6.978 5.065 -12.112 1.00 0.44 H new ATOM 0 HB2 GLU A 140 8.709 3.284 -10.634 1.00 0.45 H new ATOM 0 HB3 GLU A 140 8.212 4.914 -10.227 1.00 0.45 H new ATOM 0 HG2 GLU A 140 6.628 2.414 -9.579 1.00 0.75 H new ATOM 0 HG3 GLU A 140 7.715 3.226 -8.470 1.00 0.75 H new ATOM 2146 N TRP A 141 7.758 1.897 -12.707 1.00 0.35 N ATOM 2147 CA TRP A 141 8.596 0.989 -13.475 1.00 0.35 C ATOM 2148 C TRP A 141 7.900 0.548 -14.757 1.00 0.38 C ATOM 2149 O TRP A 141 8.545 0.044 -15.675 1.00 0.45 O ATOM 2150 CB TRP A 141 9.007 -0.209 -12.633 1.00 0.32 C ATOM 2151 CG TRP A 141 9.440 0.151 -11.234 1.00 0.29 C ATOM 2152 CD1 TRP A 141 9.722 1.394 -10.739 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.631 -0.754 -10.152 1.00 0.25 C ATOM 2154 NE1 TRP A 141 10.020 1.324 -9.409 1.00 0.31 N ATOM 2155 CE2 TRP A 141 9.991 0.006 -9.020 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.522 -2.133 -10.035 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 10.230 -0.582 -7.779 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.757 -2.720 -8.805 1.00 0.23 C ATOM 2159 CH2 TRP A 141 10.108 -1.948 -7.687 1.00 0.23 C ATOM 0 H TRP A 141 7.115 1.434 -12.065 1.00 0.35 H new ATOM 0 HA TRP A 141 9.501 1.526 -13.760 1.00 0.35 H new ATOM 0 HB2 TRP A 141 8.171 -0.906 -12.577 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.823 -0.730 -13.133 1.00 0.32 H new ATOM 0 HD1 TRP A 141 9.711 2.305 -11.320 1.00 0.34 H new ATOM 0 HE1 TRP A 141 10.229 2.118 -8.804 1.00 0.31 H new ATOM 0 HE3 TRP A 141 9.258 -2.737 -10.890 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.501 0.014 -6.920 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.669 -3.792 -8.703 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.285 -2.435 -6.739 1.00 0.23 H new ATOM 2170 N GLY A 142 6.583 0.722 -14.822 1.00 0.35 N ATOM 2171 CA GLY A 142 5.898 0.543 -16.088 1.00 0.39 C ATOM 2172 C GLY A 142 4.933 -0.615 -16.074 1.00 0.38 C ATOM 2173 O GLY A 142 4.556 -1.133 -17.124 1.00 0.45 O ATOM 0 H GLY A 142 5.987 0.979 -14.035 1.00 0.35 H new ATOM 0 HA2 GLY A 142 5.358 1.457 -16.335 1.00 0.39 H new ATOM 0 HA3 GLY A 142 6.635 0.386 -16.875 1.00 0.39 H new ATOM 2177 N GLY A 143 4.540 -1.025 -14.885 1.00 0.33 N ATOM 2178 CA GLY A 143 3.594 -2.104 -14.767 1.00 0.34 C ATOM 2179 C GLY A 143 2.178 -1.605 -14.676 1.00 0.37 C ATOM 2180 O GLY A 143 1.659 -1.013 -15.622 1.00 0.50 O ATOM 0 H GLY A 143 4.859 -0.630 -14.000 1.00 0.33 H new ATOM 0 HA2 GLY A 143 3.690 -2.766 -15.627 1.00 0.34 H new ATOM 0 HA3 GLY A 143 3.827 -2.696 -13.882 1.00 0.34 H new ATOM 2184 N ASP A 144 1.562 -1.817 -13.530 1.00 0.33 N ATOM 2185 CA ASP A 144 0.167 -1.468 -13.348 1.00 0.40 C ATOM 2186 C ASP A 144 -0.137 -1.099 -11.897 1.00 0.30 C ATOM 2187 O ASP A 144 -1.298 -1.108 -11.479 1.00 0.32 O ATOM 2188 CB ASP A 144 -0.729 -2.637 -13.783 1.00 0.57 C ATOM 2189 CG ASP A 144 -0.531 -3.886 -12.936 1.00 0.93 C ATOM 2190 OD1 ASP A 144 0.485 -4.589 -13.130 1.00 1.19 O ATOM 2191 OD2 ASP A 144 -1.381 -4.160 -12.060 1.00 1.30 O ATOM 0 H ASP A 144 2.006 -2.230 -12.710 1.00 0.33 H new ATOM 0 HA ASP A 144 -0.039 -0.596 -13.968 1.00 0.40 H new ATOM 0 HB2 ASP A 144 -1.773 -2.328 -13.726 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -0.524 -2.876 -14.826 1.00 0.57 H new ATOM 2196 N THR A 145 0.887 -0.747 -11.123 1.00 0.25 N ATOM 2197 CA THR A 145 0.676 -0.530 -9.693 1.00 0.24 C ATOM 2198 C THR A 145 1.166 0.842 -9.229 1.00 0.24 C ATOM 2199 O THR A 145 2.360 1.131 -9.252 1.00 0.31 O ATOM 2200 CB THR A 145 1.358 -1.639 -8.875 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.965 -2.911 -9.397 1.00 0.32 O ATOM 2202 CG2 THR A 145 0.972 -1.561 -7.408 1.00 0.28 C ATOM 0 H THR A 145 1.844 -0.609 -11.448 1.00 0.25 H new ATOM 0 HA THR A 145 -0.400 -0.563 -9.524 1.00 0.24 H new ATOM 0 HB THR A 145 2.438 -1.509 -8.951 1.00 0.25 H new ATOM 0 HG1 THR A 145 0.010 -3.052 -9.230 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.471 -2.359 -6.858 1.00 0.28 H new ATOM 0 HG22 THR A 145 1.275 -0.596 -7.003 1.00 0.28 H new ATOM 0 HG23 THR A 145 -0.108 -1.673 -7.309 1.00 0.28 H new ATOM 2210 N ILE A 146 0.233 1.679 -8.786 1.00 0.26 N ATOM 2211 CA ILE A 146 0.555 3.043 -8.384 1.00 0.27 C ATOM 2212 C ILE A 146 1.036 3.075 -6.931 1.00 0.24 C ATOM 2213 O ILE A 146 0.258 2.843 -6.009 1.00 0.26 O ATOM 2214 CB ILE A 146 -0.665 3.990 -8.554 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -1.015 4.191 -10.039 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -0.402 5.338 -7.898 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -1.682 2.998 -10.696 1.00 1.23 C ATOM 0 H ILE A 146 -0.753 1.436 -8.696 1.00 0.26 H new ATOM 0 HA ILE A 146 1.354 3.396 -9.036 1.00 0.27 H new ATOM 0 HB ILE A 146 -1.514 3.517 -8.061 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -1.673 5.055 -10.130 1.00 0.48 H new ATOM 0 HG13 ILE A 146 -0.102 4.427 -10.586 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -1.271 5.983 -8.031 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -0.216 5.195 -6.834 1.00 0.34 H new ATOM 0 HG23 ILE A 146 0.469 5.803 -8.359 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -1.893 3.228 -11.740 1.00 1.23 H new ATOM 0 HD12 ILE A 146 -1.019 2.135 -10.641 1.00 1.23 H new ATOM 0 HD13 ILE A 146 -2.615 2.772 -10.179 1.00 1.23 H new ATOM 2229 N PHE A 147 2.318 3.358 -6.733 1.00 0.23 N ATOM 2230 CA PHE A 147 2.900 3.397 -5.394 1.00 0.22 C ATOM 2231 C PHE A 147 2.747 4.768 -4.755 1.00 0.24 C ATOM 2232 O PHE A 147 3.201 5.776 -5.293 1.00 0.38 O ATOM 2233 CB PHE A 147 4.376 3.008 -5.444 1.00 0.23 C ATOM 2234 CG PHE A 147 4.578 1.531 -5.344 1.00 0.21 C ATOM 2235 CD1 PHE A 147 4.394 0.724 -6.453 1.00 0.20 C ATOM 2236 CD2 PHE A 147 4.989 0.954 -4.157 1.00 0.21 C ATOM 2237 CE1 PHE A 147 4.609 -0.635 -6.378 1.00 0.20 C ATOM 2238 CE2 PHE A 147 5.212 -0.406 -4.076 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.891 -1.214 -5.130 1.00 0.19 C ATOM 0 H PHE A 147 2.977 3.565 -7.484 1.00 0.23 H new ATOM 0 HA PHE A 147 2.358 2.678 -4.780 1.00 0.22 H new ATOM 0 HB2 PHE A 147 4.813 3.370 -6.375 1.00 0.23 H new ATOM 0 HB3 PHE A 147 4.907 3.501 -4.630 1.00 0.23 H new ATOM 0 HD1 PHE A 147 4.078 1.164 -7.387 1.00 0.20 H new ATOM 0 HD2 PHE A 147 5.137 1.573 -3.285 1.00 0.21 H new ATOM 0 HE1 PHE A 147 4.561 -1.247 -7.267 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.640 -0.831 -3.180 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.855 -2.286 -5.005 1.00 0.19 H new ATOM 2249 N CYS A 148 2.087 4.798 -3.613 1.00 0.25 N ATOM 2250 CA CYS A 148 1.944 6.011 -2.834 1.00 0.28 C ATOM 2251 C CYS A 148 2.645 5.855 -1.496 1.00 0.26 C ATOM 2252 O CYS A 148 2.138 5.171 -0.613 1.00 0.32 O ATOM 2253 CB CYS A 148 0.469 6.303 -2.582 1.00 0.30 C ATOM 2254 SG CYS A 148 -0.532 6.432 -4.082 1.00 1.10 S ATOM 0 H CYS A 148 1.635 3.982 -3.200 1.00 0.25 H new ATOM 0 HA CYS A 148 2.391 6.833 -3.393 1.00 0.28 H new ATOM 0 HB2 CYS A 148 0.057 5.515 -1.951 1.00 0.30 H new ATOM 0 HB3 CYS A 148 0.386 7.235 -2.023 1.00 0.30 H new ATOM 0 HG CYS A 148 -1.767 6.679 -3.760 1.00 1.10 H new ATOM 2260 N LYS A 149 3.814 6.454 -1.347 1.00 0.37 N ATOM 2261 CA LYS A 149 4.459 6.489 -0.046 1.00 0.38 C ATOM 2262 C LYS A 149 3.848 7.622 0.772 1.00 0.39 C ATOM 2263 O LYS A 149 4.355 8.746 0.808 1.00 0.47 O ATOM 2264 CB LYS A 149 5.983 6.623 -0.189 1.00 0.47 C ATOM 2265 CG LYS A 149 6.444 7.781 -1.060 1.00 0.64 C ATOM 2266 CD LYS A 149 7.920 7.654 -1.416 1.00 0.94 C ATOM 2267 CE LYS A 149 8.819 7.690 -0.188 1.00 1.57 C ATOM 2268 NZ LYS A 149 8.883 9.042 0.428 1.00 2.44 N ATOM 0 H LYS A 149 4.329 6.916 -2.097 1.00 0.37 H new ATOM 0 HA LYS A 149 4.288 5.550 0.481 1.00 0.38 H new ATOM 0 HB2 LYS A 149 6.418 6.738 0.804 1.00 0.47 H new ATOM 0 HB3 LYS A 149 6.378 5.696 -0.604 1.00 0.47 H new ATOM 0 HG2 LYS A 149 5.849 7.811 -1.973 1.00 0.64 H new ATOM 0 HG3 LYS A 149 6.274 8.722 -0.537 1.00 0.64 H new ATOM 0 HD2 LYS A 149 8.082 6.720 -1.954 1.00 0.94 H new ATOM 0 HD3 LYS A 149 8.199 8.463 -2.091 1.00 0.94 H new ATOM 0 HE2 LYS A 149 8.452 6.975 0.549 1.00 1.57 H new ATOM 0 HE3 LYS A 149 9.824 7.373 -0.467 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 9.507 9.015 1.260 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 9.258 9.722 -0.264 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 7.929 9.336 0.720 1.00 2.44 H new ATOM 2282 N LEU A 150 2.732 7.311 1.415 1.00 0.40 N ATOM 2283 CA LEU A 150 1.891 8.320 2.028 1.00 0.45 C ATOM 2284 C LEU A 150 1.852 8.205 3.547 1.00 0.45 C ATOM 2285 O LEU A 150 2.558 7.400 4.155 1.00 0.49 O ATOM 2286 CB LEU A 150 0.464 8.236 1.432 1.00 0.60 C ATOM 2287 CG LEU A 150 -0.437 7.035 1.806 1.00 0.49 C ATOM 2288 CD1 LEU A 150 0.351 5.771 2.062 1.00 1.25 C ATOM 2289 CD2 LEU A 150 -1.336 7.366 2.988 1.00 1.27 C ATOM 0 H LEU A 150 2.388 6.357 1.524 1.00 0.40 H new ATOM 0 HA LEU A 150 2.324 9.295 1.805 1.00 0.45 H new ATOM 0 HB2 LEU A 150 -0.065 9.145 1.717 1.00 0.60 H new ATOM 0 HB3 LEU A 150 0.560 8.250 0.346 1.00 0.60 H new ATOM 0 HG LEU A 150 -1.068 6.841 0.939 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -0.333 4.962 2.320 1.00 1.25 H new ATOM 0 HD12 LEU A 150 0.909 5.502 1.165 1.00 1.25 H new ATOM 0 HD13 LEU A 150 1.046 5.936 2.886 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -1.957 6.502 3.226 1.00 1.27 H new ATOM 0 HD22 LEU A 150 -0.722 7.621 3.852 1.00 1.27 H new ATOM 0 HD23 LEU A 150 -1.974 8.212 2.734 1.00 1.27 H new ATOM 2301 N SER A 151 1.020 9.035 4.145 1.00 0.49 N ATOM 2302 CA SER A 151 0.819 9.036 5.575 1.00 0.55 C ATOM 2303 C SER A 151 -0.595 9.494 5.893 1.00 0.57 C ATOM 2304 O SER A 151 -0.976 10.619 5.565 1.00 0.60 O ATOM 2305 CB SER A 151 1.821 9.946 6.245 1.00 0.66 C ATOM 2306 OG SER A 151 1.685 9.899 7.654 1.00 1.79 O ATOM 0 H SER A 151 0.463 9.730 3.647 1.00 0.49 H new ATOM 0 HA SER A 151 0.962 8.024 5.953 1.00 0.55 H new ATOM 0 HB2 SER A 151 2.832 9.650 5.963 1.00 0.66 H new ATOM 0 HB3 SER A 151 1.679 10.969 5.896 1.00 0.66 H new ATOM 0 HG SER A 151 2.097 10.695 8.049 1.00 1.79 H new ATOM 2312 N ALA A 152 -1.370 8.619 6.513 1.00 0.62 N ATOM 2313 CA ALA A 152 -2.744 8.942 6.874 1.00 0.70 C ATOM 2314 C ALA A 152 -2.781 9.887 8.066 1.00 0.74 C ATOM 2315 O ALA A 152 -3.690 10.702 8.195 1.00 0.87 O ATOM 2316 CB ALA A 152 -3.522 7.672 7.181 1.00 0.86 C ATOM 0 H ALA A 152 -1.073 7.680 6.777 1.00 0.62 H new ATOM 0 HA ALA A 152 -3.212 9.443 6.026 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -4.547 7.929 7.449 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -3.528 7.027 6.302 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -3.050 7.148 8.012 1.00 0.86 H new ATOM 2322 N LYS A 153 -1.766 9.797 8.909 1.00 0.77 N ATOM 2323 CA LYS A 153 -1.704 10.581 10.130 1.00 0.93 C ATOM 2324 C LYS A 153 -1.298 12.005 9.827 1.00 0.86 C ATOM 2325 O LYS A 153 -1.933 12.967 10.260 1.00 0.96 O ATOM 2326 CB LYS A 153 -0.700 9.944 11.086 1.00 1.13 C ATOM 2327 CG LYS A 153 0.621 9.558 10.436 1.00 1.19 C ATOM 2328 CD LYS A 153 1.571 8.891 11.418 1.00 1.68 C ATOM 2329 CE LYS A 153 2.097 9.873 12.449 1.00 2.31 C ATOM 2330 NZ LYS A 153 2.846 10.994 11.822 1.00 3.03 N ATOM 0 H LYS A 153 -0.965 9.181 8.767 1.00 0.77 H new ATOM 0 HA LYS A 153 -2.691 10.598 10.593 1.00 0.93 H new ATOM 0 HB2 LYS A 153 -0.501 10.638 11.902 1.00 1.13 H new ATOM 0 HB3 LYS A 153 -1.149 9.054 11.527 1.00 1.13 H new ATOM 0 HG2 LYS A 153 0.430 8.883 9.602 1.00 1.19 H new ATOM 0 HG3 LYS A 153 1.095 10.449 10.023 1.00 1.19 H new ATOM 0 HD2 LYS A 153 1.056 8.074 11.924 1.00 1.68 H new ATOM 0 HD3 LYS A 153 2.407 8.453 10.874 1.00 1.68 H new ATOM 0 HE2 LYS A 153 1.264 10.273 13.027 1.00 2.31 H new ATOM 0 HE3 LYS A 153 2.748 9.349 13.149 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 3.287 11.574 12.564 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 3.584 10.612 11.197 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 2.192 11.581 11.266 1.00 3.03 H new ATOM 2344 N THR A 154 -0.225 12.116 9.080 1.00 0.78 N ATOM 2345 CA THR A 154 0.315 13.405 8.694 1.00 0.81 C ATOM 2346 C THR A 154 -0.493 14.039 7.553 1.00 0.73 C ATOM 2347 O THR A 154 -0.310 15.213 7.233 1.00 0.82 O ATOM 2348 CB THR A 154 1.795 13.265 8.286 1.00 0.89 C ATOM 2349 OG1 THR A 154 2.471 12.424 9.233 1.00 1.19 O ATOM 2350 CG2 THR A 154 2.488 14.620 8.239 1.00 1.20 C ATOM 0 H THR A 154 0.300 11.318 8.721 1.00 0.78 H new ATOM 0 HA THR A 154 0.244 14.065 9.558 1.00 0.81 H new ATOM 0 HB THR A 154 1.833 12.825 7.290 1.00 0.89 H new ATOM 0 HG1 THR A 154 3.412 12.332 8.975 1.00 1.19 H new ATOM 0 HG21 THR A 154 3.530 14.486 7.948 1.00 1.20 H new ATOM 0 HG22 THR A 154 1.988 15.260 7.512 1.00 1.20 H new ATOM 0 HG23 THR A 154 2.443 15.086 9.223 1.00 1.20 H new ATOM 2358 N LYS A 155 -1.379 13.245 6.937 1.00 0.65 N ATOM 2359 CA LYS A 155 -2.276 13.707 5.857 1.00 0.67 C ATOM 2360 C LYS A 155 -1.539 13.983 4.544 1.00 0.66 C ATOM 2361 O LYS A 155 -2.160 14.000 3.484 1.00 0.86 O ATOM 2362 CB LYS A 155 -3.068 14.957 6.268 1.00 0.86 C ATOM 2363 CG LYS A 155 -4.367 14.665 7.005 1.00 1.27 C ATOM 2364 CD LYS A 155 -4.127 13.996 8.344 1.00 1.12 C ATOM 2365 CE LYS A 155 -5.427 13.787 9.100 1.00 1.39 C ATOM 2366 NZ LYS A 155 -6.097 15.074 9.430 1.00 2.27 N ATOM 0 H LYS A 155 -1.498 12.259 7.171 1.00 0.65 H new ATOM 0 HA LYS A 155 -2.969 12.883 5.687 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -2.437 15.580 6.902 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -3.294 15.539 5.374 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -4.913 15.596 7.158 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -4.997 14.024 6.388 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -3.636 13.035 8.190 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -3.451 14.607 8.942 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -6.099 13.172 8.501 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -5.226 13.237 10.020 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -6.817 14.913 10.163 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -5.392 15.753 9.781 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -6.551 15.458 8.577 1.00 2.27 H new ATOM 2380 N GLU A 156 -0.228 14.189 4.629 1.00 0.62 N ATOM 2381 CA GLU A 156 0.617 14.478 3.467 1.00 0.66 C ATOM 2382 C GLU A 156 0.275 13.580 2.279 1.00 0.59 C ATOM 2383 O GLU A 156 -0.175 14.044 1.223 1.00 0.58 O ATOM 2384 CB GLU A 156 2.085 14.282 3.859 1.00 0.75 C ATOM 2385 CG GLU A 156 3.073 14.446 2.715 1.00 1.13 C ATOM 2386 CD GLU A 156 3.118 15.859 2.180 1.00 1.78 C ATOM 2387 OE1 GLU A 156 3.720 16.730 2.839 1.00 2.03 O ATOM 2388 OE2 GLU A 156 2.558 16.099 1.090 1.00 2.64 O ATOM 0 H GLU A 156 0.285 14.161 5.510 1.00 0.62 H new ATOM 0 HA GLU A 156 0.439 15.509 3.161 1.00 0.66 H new ATOM 0 HB2 GLU A 156 2.336 14.996 4.644 1.00 0.75 H new ATOM 0 HB3 GLU A 156 2.204 13.285 4.284 1.00 0.75 H new ATOM 0 HG2 GLU A 156 4.068 14.159 3.056 1.00 1.13 H new ATOM 0 HG3 GLU A 156 2.804 13.765 1.908 1.00 1.13 H new ATOM 2395 N GLY A 157 0.476 12.291 2.470 1.00 0.62 N ATOM 2396 CA GLY A 157 0.251 11.346 1.416 1.00 0.61 C ATOM 2397 C GLY A 157 -1.212 11.160 1.068 1.00 0.48 C ATOM 2398 O GLY A 157 -1.523 10.649 0.003 1.00 0.46 O ATOM 0 H GLY A 157 0.795 11.883 3.349 1.00 0.62 H new ATOM 0 HA2 GLY A 157 0.789 11.673 0.526 1.00 0.61 H new ATOM 0 HA3 GLY A 157 0.672 10.383 1.707 1.00 0.61 H new ATOM 2402 N LEU A 158 -2.110 11.569 1.957 1.00 0.48 N ATOM 2403 CA LEU A 158 -3.537 11.427 1.708 1.00 0.50 C ATOM 2404 C LEU A 158 -3.971 12.313 0.552 1.00 0.46 C ATOM 2405 O LEU A 158 -4.685 11.872 -0.349 1.00 0.51 O ATOM 2406 CB LEU A 158 -4.343 11.771 2.957 1.00 0.62 C ATOM 2407 CG LEU A 158 -4.258 10.745 4.085 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -5.163 11.151 5.234 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -4.625 9.359 3.573 1.00 1.27 C ATOM 0 H LEU A 158 -1.876 11.999 2.852 1.00 0.48 H new ATOM 0 HA LEU A 158 -3.728 10.387 1.445 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -4.002 12.734 3.336 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -5.389 11.891 2.674 1.00 0.62 H new ATOM 0 HG LEU A 158 -3.232 10.712 4.450 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -5.093 10.411 6.031 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -4.854 12.125 5.614 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -6.193 11.209 4.883 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -4.559 8.640 4.390 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -5.643 9.373 3.183 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -3.936 9.070 2.779 1.00 1.27 H new ATOM 2421 N ASP A 159 -3.518 13.557 0.577 1.00 0.48 N ATOM 2422 CA ASP A 159 -3.804 14.494 -0.502 1.00 0.57 C ATOM 2423 C ASP A 159 -3.171 14.012 -1.798 1.00 0.50 C ATOM 2424 O ASP A 159 -3.758 14.136 -2.874 1.00 0.52 O ATOM 2425 CB ASP A 159 -3.290 15.893 -0.150 1.00 0.73 C ATOM 2426 CG ASP A 159 -4.045 16.523 1.004 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -3.714 16.226 2.169 1.00 2.50 O ATOM 2428 OD2 ASP A 159 -4.978 17.315 0.752 1.00 1.58 O ATOM 0 H ASP A 159 -2.951 13.943 1.332 1.00 0.48 H new ATOM 0 HA ASP A 159 -4.884 14.547 -0.636 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -2.232 15.833 0.104 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -3.372 16.536 -1.026 1.00 0.73 H new ATOM 2433 N HIS A 160 -1.976 13.438 -1.686 1.00 0.47 N ATOM 2434 CA HIS A 160 -1.274 12.912 -2.854 1.00 0.46 C ATOM 2435 C HIS A 160 -1.921 11.615 -3.347 1.00 0.41 C ATOM 2436 O HIS A 160 -1.822 11.270 -4.524 1.00 0.43 O ATOM 2437 CB HIS A 160 0.207 12.677 -2.534 1.00 0.50 C ATOM 2438 CG HIS A 160 1.029 12.338 -3.743 1.00 0.56 C ATOM 2439 ND1 HIS A 160 1.267 13.236 -4.758 1.00 0.67 N ATOM 2440 CD2 HIS A 160 1.659 11.193 -4.103 1.00 0.59 C ATOM 2441 CE1 HIS A 160 1.998 12.659 -5.693 1.00 0.73 C ATOM 2442 NE2 HIS A 160 2.249 11.422 -5.318 1.00 0.67 N ATOM 0 H HIS A 160 -1.476 13.325 -0.804 1.00 0.47 H new ATOM 0 HA HIS A 160 -1.347 13.654 -3.649 1.00 0.46 H new ATOM 0 HB2 HIS A 160 0.616 13.571 -2.064 1.00 0.50 H new ATOM 0 HB3 HIS A 160 0.291 11.868 -1.808 1.00 0.50 H new ATOM 0 HD1 HIS A 160 0.931 14.199 -4.784 1.00 0.67 H new ATOM 0 HD2 HIS A 160 1.690 10.273 -3.538 1.00 0.59 H new ATOM 0 HE1 HIS A 160 2.333 13.122 -6.609 1.00 0.73 H new ATOM 2451 N LEU A 161 -2.579 10.906 -2.442 1.00 0.39 N ATOM 2452 CA LEU A 161 -3.245 9.654 -2.782 1.00 0.39 C ATOM 2453 C LEU A 161 -4.395 9.936 -3.740 1.00 0.39 C ATOM 2454 O LEU A 161 -4.537 9.273 -4.767 1.00 0.42 O ATOM 2455 CB LEU A 161 -3.756 8.965 -1.509 1.00 0.41 C ATOM 2456 CG LEU A 161 -3.720 7.431 -1.518 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -4.108 6.885 -0.153 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -4.644 6.866 -2.587 1.00 0.88 C ATOM 0 H LEU A 161 -2.667 11.176 -1.462 1.00 0.39 H new ATOM 0 HA LEU A 161 -2.535 8.985 -3.269 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -3.164 9.318 -0.665 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -4.783 9.284 -1.333 1.00 0.41 H new ATOM 0 HG LEU A 161 -2.701 7.121 -1.749 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -4.078 5.796 -0.175 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -3.409 7.252 0.598 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -5.116 7.215 0.098 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -4.598 5.777 -2.570 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -5.667 7.189 -2.392 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -4.331 7.227 -3.567 1.00 0.88 H new ATOM 2470 N LEU A 162 -5.199 10.940 -3.400 1.00 0.40 N ATOM 2471 CA LEU A 162 -6.275 11.398 -4.269 1.00 0.44 C ATOM 2472 C LEU A 162 -5.740 11.725 -5.662 1.00 0.45 C ATOM 2473 O LEU A 162 -6.333 11.337 -6.663 1.00 0.48 O ATOM 2474 CB LEU A 162 -6.938 12.634 -3.661 1.00 0.50 C ATOM 2475 CG LEU A 162 -7.560 12.426 -2.278 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -8.117 13.736 -1.742 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -8.653 11.368 -2.335 1.00 1.06 C ATOM 0 H LEU A 162 -5.123 11.454 -2.522 1.00 0.40 H new ATOM 0 HA LEU A 162 -7.012 10.601 -4.362 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -6.195 13.428 -3.592 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -7.714 12.982 -4.342 1.00 0.50 H new ATOM 0 HG LEU A 162 -6.780 12.078 -1.601 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -8.555 13.569 -0.758 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -7.313 14.468 -1.662 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -8.882 14.111 -2.421 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -9.083 11.235 -1.342 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -9.432 11.687 -3.028 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -8.228 10.424 -2.676 1.00 1.06 H new ATOM 2489 N GLU A 163 -4.603 12.413 -5.718 1.00 0.46 N ATOM 2490 CA GLU A 163 -3.971 12.754 -6.992 1.00 0.52 C ATOM 2491 C GLU A 163 -3.734 11.502 -7.834 1.00 0.51 C ATOM 2492 O GLU A 163 -3.991 11.488 -9.038 1.00 0.56 O ATOM 2493 CB GLU A 163 -2.639 13.467 -6.756 1.00 0.62 C ATOM 2494 CG GLU A 163 -2.764 14.767 -5.982 1.00 1.06 C ATOM 2495 CD GLU A 163 -1.427 15.443 -5.777 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -0.764 15.157 -4.762 1.00 2.49 O ATOM 2497 OE2 GLU A 163 -1.026 16.262 -6.629 1.00 1.97 O ATOM 0 H GLU A 163 -4.099 12.746 -4.896 1.00 0.46 H new ATOM 0 HA GLU A 163 -4.645 13.420 -7.530 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -1.971 12.797 -6.215 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -2.173 13.673 -7.720 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -3.432 15.443 -6.516 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -3.220 14.568 -5.012 1.00 1.06 H new ATOM 2504 N MET A 164 -3.259 10.445 -7.186 1.00 0.49 N ATOM 2505 CA MET A 164 -2.967 9.193 -7.873 1.00 0.52 C ATOM 2506 C MET A 164 -4.256 8.495 -8.289 1.00 0.51 C ATOM 2507 O MET A 164 -4.302 7.807 -9.310 1.00 0.57 O ATOM 2508 CB MET A 164 -2.139 8.279 -6.969 1.00 0.53 C ATOM 2509 CG MET A 164 -0.795 8.865 -6.541 1.00 0.68 C ATOM 2510 SD MET A 164 0.450 8.881 -7.853 1.00 0.87 S ATOM 2511 CE MET A 164 -0.135 10.201 -8.914 1.00 0.67 C ATOM 0 H MET A 164 -3.068 10.430 -6.184 1.00 0.49 H new ATOM 0 HA MET A 164 -2.392 9.417 -8.772 1.00 0.52 H new ATOM 0 HB2 MET A 164 -2.721 8.046 -6.077 1.00 0.53 H new ATOM 0 HB3 MET A 164 -1.962 7.337 -7.489 1.00 0.53 H new ATOM 0 HG2 MET A 164 -0.950 9.885 -6.189 1.00 0.68 H new ATOM 0 HG3 MET A 164 -0.412 8.291 -5.697 1.00 0.68 H new ATOM 0 HE1 MET A 164 0.705 10.829 -9.211 1.00 0.67 H new ATOM 0 HE2 MET A 164 -0.601 9.774 -9.802 1.00 0.67 H new ATOM 0 HE3 MET A 164 -0.866 10.804 -8.375 1.00 0.67 H new ATOM 2521 N ILE A 165 -5.298 8.686 -7.496 1.00 0.48 N ATOM 2522 CA ILE A 165 -6.606 8.146 -7.794 1.00 0.51 C ATOM 2523 C ILE A 165 -7.162 8.764 -9.083 1.00 0.58 C ATOM 2524 O ILE A 165 -7.560 8.048 -10.006 1.00 0.64 O ATOM 2525 CB ILE A 165 -7.555 8.413 -6.610 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -7.144 7.564 -5.404 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -8.991 8.140 -6.989 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -7.929 7.875 -4.150 1.00 0.50 C ATOM 0 H ILE A 165 -5.256 9.221 -6.628 1.00 0.48 H new ATOM 0 HA ILE A 165 -6.522 7.070 -7.946 1.00 0.51 H new ATOM 0 HB ILE A 165 -7.478 9.467 -6.341 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -7.273 6.510 -5.651 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -6.083 7.718 -5.206 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -9.637 8.337 -6.133 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -9.278 8.788 -7.817 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -9.096 7.098 -7.290 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -7.584 7.236 -3.337 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -7.781 8.920 -3.878 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -8.989 7.694 -4.330 1.00 0.50 H new ATOM 2540 N LEU A 166 -7.187 10.098 -9.145 1.00 0.61 N ATOM 2541 CA LEU A 166 -7.582 10.819 -10.343 1.00 0.72 C ATOM 2542 C LEU A 166 -6.706 10.470 -11.539 1.00 0.72 C ATOM 2543 O LEU A 166 -7.179 10.460 -12.677 1.00 0.81 O ATOM 2544 CB LEU A 166 -7.500 12.309 -10.076 1.00 0.82 C ATOM 2545 CG LEU A 166 -8.670 12.901 -9.291 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -9.958 12.742 -10.075 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -8.821 12.270 -7.920 1.00 1.48 C ATOM 0 H LEU A 166 -6.933 10.702 -8.363 1.00 0.61 H new ATOM 0 HA LEU A 166 -8.603 10.527 -10.587 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -6.579 12.513 -9.530 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -7.426 12.828 -11.031 1.00 0.82 H new ATOM 0 HG LEU A 166 -8.456 13.960 -9.143 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -10.785 13.167 -9.506 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -9.869 13.261 -11.030 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -10.147 11.683 -10.254 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -9.665 12.724 -7.401 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -8.995 11.200 -8.029 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -7.911 12.432 -7.343 1.00 1.48 H new ATOM 2559 N LEU A 167 -5.431 10.206 -11.284 1.00 0.69 N ATOM 2560 CA LEU A 167 -4.516 9.781 -12.335 1.00 0.79 C ATOM 2561 C LEU A 167 -5.070 8.531 -13.004 1.00 0.87 C ATOM 2562 O LEU A 167 -5.067 8.410 -14.226 1.00 1.02 O ATOM 2563 CB LEU A 167 -3.115 9.526 -11.746 1.00 0.84 C ATOM 2564 CG LEU A 167 -1.984 9.232 -12.747 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -1.993 7.775 -13.190 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -2.086 10.150 -13.957 1.00 1.41 C ATOM 0 H LEU A 167 -5.007 10.279 -10.359 1.00 0.69 H new ATOM 0 HA LEU A 167 -4.422 10.566 -13.085 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -2.830 10.398 -11.158 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -3.185 8.685 -11.056 1.00 0.84 H new ATOM 0 HG LEU A 167 -1.039 9.422 -12.238 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -1.181 7.604 -13.896 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -1.860 7.130 -12.322 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -2.945 7.546 -13.670 1.00 1.42 H new ATOM 0 HD21 LEU A 167 -1.277 9.926 -14.653 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -3.044 9.994 -14.452 1.00 1.41 H new ATOM 0 HD23 LEU A 167 -2.009 11.188 -13.634 1.00 1.41 H new ATOM 2578 N VAL A 168 -5.598 7.629 -12.194 1.00 0.83 N ATOM 2579 CA VAL A 168 -6.158 6.393 -12.691 1.00 0.96 C ATOM 2580 C VAL A 168 -7.555 6.619 -13.257 1.00 1.01 C ATOM 2581 O VAL A 168 -7.964 5.945 -14.196 1.00 1.14 O ATOM 2582 CB VAL A 168 -6.186 5.324 -11.583 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -7.068 4.158 -11.970 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -4.778 4.843 -11.303 1.00 1.14 C ATOM 0 H VAL A 168 -5.648 7.736 -11.181 1.00 0.83 H new ATOM 0 HA VAL A 168 -5.520 6.032 -13.498 1.00 0.96 H new ATOM 0 HB VAL A 168 -6.602 5.774 -10.682 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -7.068 3.420 -11.168 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -8.085 4.511 -12.138 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -6.687 3.701 -12.884 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -4.801 4.087 -10.518 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -4.354 4.412 -12.210 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -4.164 5.683 -10.979 1.00 1.14 H new